USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.428 (180deg=-0.531) USER MOD Single : A 3 SER OG : rot 32:sc= 0.288 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -1.32! K(o=-1.3!,f=0.19) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 8 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-1.3) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-0.5) USER MOD Single : A 11 HIS : no HE2:sc= -0.218 K(o=-0.22,f=-3.9!) USER MOD Single : A 12 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0.015) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 20:sc= 0.374 USER MOD Single : A 34 THR OG1 : rot -15:sc= 0.656 USER MOD Single : A 35 SER OG : rot -129:sc= -0.262 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 77:sc= 1.25 USER MOD Single : A 47 GLN : amide:sc= -0.0925 X(o=-0.093,f=-0.42) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.33) USER MOD Single : A 50 ASN : amide:sc= -0.0628 X(o=-0.063,f=-0.46) USER MOD Single : A 57 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.41) USER MOD Single : A 58 CYS SG : rot 18:sc= 0.0237 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 65 THR OG1 : rot -25:sc= 0.846 USER MOD Single : A 66 TYR OH : rot 126:sc= 0.262 USER MOD Single : A 67 MET CE :methyl 154:sc= -0.0643 (180deg=-0.169) USER MOD Single : A 71 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-0.32) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0897 USER MOD Single : A 82 SER OG : rot 1:sc= 1.08 USER MOD Single : A 90 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.0066) USER MOD Single : A 92 MET CE :methyl -147:sc= -0.36 (180deg=-1.52!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -4.72! C(o=-4.7!,f=-4.6!) USER MOD Single : A 105 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.5) USER MOD Single : A 106 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.097) USER MOD Single : A 109 THR OG1 : rot 63:sc= 1.28 USER MOD Single : A 112 GLN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.942 -1.904 -34.552 1.00 0.00 N ATOM 2 CA MET A 1 10.086 -2.783 -34.930 1.00 0.00 C ATOM 3 C MET A 1 9.874 -4.211 -34.432 1.00 0.00 C ATOM 4 O MET A 1 10.825 -4.889 -34.043 1.00 0.00 O ATOM 5 CB MET A 1 11.376 -2.213 -34.332 1.00 0.00 C ATOM 6 CG MET A 1 11.725 -0.817 -34.830 1.00 0.00 C ATOM 7 SD MET A 1 13.182 -0.135 -34.016 1.00 0.00 S ATOM 8 CE MET A 1 12.648 1.547 -33.709 1.00 0.00 C ATOM 0 H1 MET A 1 9.064 -0.968 -34.989 1.00 0.00 H new ATOM 0 H2 MET A 1 8.053 -2.329 -34.885 1.00 0.00 H new ATOM 0 H3 MET A 1 8.910 -1.801 -33.518 1.00 0.00 H new ATOM 0 HA MET A 1 10.157 -2.813 -36.017 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.281 -2.187 -33.246 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.201 -2.887 -34.564 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.897 -0.851 -35.906 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.876 -0.153 -34.664 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.445 2.096 -33.208 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.412 2.032 -34.656 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.761 1.537 -33.076 1.00 0.00 H new ATOM 20 N GLY A 2 8.621 -4.661 -34.442 1.00 0.00 N ATOM 21 CA GLY A 2 8.310 -6.003 -33.983 1.00 0.00 C ATOM 22 C GLY A 2 8.426 -6.138 -32.476 1.00 0.00 C ATOM 23 O GLY A 2 7.508 -5.771 -31.742 1.00 0.00 O ATOM 0 H GLY A 2 7.817 -4.120 -34.760 1.00 0.00 H new ATOM 0 HA2 GLY A 2 7.298 -6.265 -34.292 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.984 -6.714 -34.462 1.00 0.00 H new ATOM 27 N SER A 3 9.558 -6.661 -32.013 1.00 0.00 N ATOM 28 CA SER A 3 9.793 -6.836 -30.583 1.00 0.00 C ATOM 29 C SER A 3 10.015 -5.488 -29.906 1.00 0.00 C ATOM 30 O SER A 3 10.892 -4.722 -30.304 1.00 0.00 O ATOM 31 CB SER A 3 11.004 -7.742 -30.352 1.00 0.00 C ATOM 32 OG SER A 3 12.173 -7.184 -30.927 1.00 0.00 O ATOM 0 H SER A 3 10.327 -6.971 -32.607 1.00 0.00 H new ATOM 0 HA SER A 3 8.911 -7.304 -30.146 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.155 -7.888 -29.282 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.815 -8.725 -30.784 1.00 0.00 H new ATOM 0 HG SER A 3 12.122 -6.206 -30.888 1.00 0.00 H new ATOM 38 N SER A 4 9.218 -5.205 -28.881 1.00 0.00 N ATOM 39 CA SER A 4 9.332 -3.948 -28.151 1.00 0.00 C ATOM 40 C SER A 4 10.188 -4.126 -26.902 1.00 0.00 C ATOM 41 O SER A 4 9.674 -4.370 -25.810 1.00 0.00 O ATOM 42 CB SER A 4 7.950 -3.411 -27.766 1.00 0.00 C ATOM 43 OG SER A 4 6.984 -3.726 -28.756 1.00 0.00 O ATOM 0 H SER A 4 8.487 -5.828 -28.538 1.00 0.00 H new ATOM 0 HA SER A 4 9.815 -3.224 -28.808 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.646 -3.835 -26.809 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.001 -2.330 -27.634 1.00 0.00 H new ATOM 0 HG SER A 4 6.111 -3.373 -28.485 1.00 0.00 H new ATOM 49 N HIS A 5 11.497 -4.006 -27.077 1.00 0.00 N ATOM 50 CA HIS A 5 12.435 -4.155 -25.973 1.00 0.00 C ATOM 51 C HIS A 5 12.295 -3.007 -24.976 1.00 0.00 C ATOM 52 O HIS A 5 11.343 -2.230 -25.039 1.00 0.00 O ATOM 53 CB HIS A 5 13.864 -4.219 -26.512 1.00 0.00 C ATOM 54 CG HIS A 5 14.399 -5.614 -26.616 1.00 0.00 C ATOM 55 ND1 HIS A 5 15.022 -6.099 -27.746 1.00 0.00 N ATOM 56 CD2 HIS A 5 14.401 -6.632 -25.722 1.00 0.00 C ATOM 57 CE1 HIS A 5 15.384 -7.354 -27.545 1.00 0.00 C ATOM 58 NE2 HIS A 5 15.019 -7.701 -26.325 1.00 0.00 N ATOM 0 H HIS A 5 11.934 -3.805 -27.976 1.00 0.00 H new ATOM 0 HA HIS A 5 12.207 -5.084 -25.450 1.00 0.00 H new ATOM 0 HB2 HIS A 5 13.894 -3.752 -27.496 1.00 0.00 H new ATOM 0 HB3 HIS A 5 14.516 -3.635 -25.862 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.993 -6.608 -24.722 1.00 0.00 H new ATOM 0 HE1 HIS A 5 15.892 -7.987 -28.257 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.171 -8.615 -25.899 1.00 0.00 H new ATOM 67 N HIS A 6 13.248 -2.911 -24.055 1.00 0.00 N ATOM 68 CA HIS A 6 13.230 -1.860 -23.042 1.00 0.00 C ATOM 69 C HIS A 6 14.454 -0.957 -23.170 1.00 0.00 C ATOM 70 O HIS A 6 15.031 -0.533 -22.168 1.00 0.00 O ATOM 71 CB HIS A 6 13.175 -2.467 -21.636 1.00 0.00 C ATOM 72 CG HIS A 6 14.049 -3.672 -21.454 1.00 0.00 C ATOM 73 ND1 HIS A 6 13.779 -4.665 -20.537 1.00 0.00 N ATOM 74 CD2 HIS A 6 15.192 -4.044 -22.079 1.00 0.00 C ATOM 75 CE1 HIS A 6 14.715 -5.593 -20.604 1.00 0.00 C ATOM 76 NE2 HIS A 6 15.585 -5.242 -21.533 1.00 0.00 N ATOM 0 H HIS A 6 14.042 -3.547 -23.988 1.00 0.00 H new ATOM 0 HA HIS A 6 12.336 -1.258 -23.203 1.00 0.00 H new ATOM 0 HB2 HIS A 6 13.468 -1.707 -20.912 1.00 0.00 H new ATOM 0 HB3 HIS A 6 12.145 -2.742 -21.411 1.00 0.00 H new ATOM 0 HD2 HIS A 6 15.700 -3.500 -22.861 1.00 0.00 H new ATOM 0 HE1 HIS A 6 14.761 -6.488 -20.001 1.00 0.00 H new ATOM 0 HE2 HIS A 6 16.413 -5.773 -21.801 1.00 0.00 H new ATOM 85 N HIS A 7 14.845 -0.667 -24.407 1.00 0.00 N ATOM 86 CA HIS A 7 16.000 0.187 -24.664 1.00 0.00 C ATOM 87 C HIS A 7 15.777 1.592 -24.109 1.00 0.00 C ATOM 88 O HIS A 7 14.704 1.902 -23.592 1.00 0.00 O ATOM 89 CB HIS A 7 16.281 0.257 -26.166 1.00 0.00 C ATOM 90 CG HIS A 7 17.295 -0.740 -26.631 1.00 0.00 C ATOM 91 ND1 HIS A 7 16.983 -2.052 -26.919 1.00 0.00 N ATOM 92 CD2 HIS A 7 18.624 -0.615 -26.858 1.00 0.00 C ATOM 93 CE1 HIS A 7 18.074 -2.690 -27.302 1.00 0.00 C ATOM 94 NE2 HIS A 7 19.084 -1.840 -27.274 1.00 0.00 N ATOM 0 H HIS A 7 14.379 -1.011 -25.247 1.00 0.00 H new ATOM 0 HA HIS A 7 16.862 -0.248 -24.158 1.00 0.00 H new ATOM 0 HB2 HIS A 7 15.350 0.097 -26.710 1.00 0.00 H new ATOM 0 HB3 HIS A 7 16.628 1.260 -26.416 1.00 0.00 H new ATOM 0 HD2 HIS A 7 19.213 0.282 -26.735 1.00 0.00 H new ATOM 0 HE1 HIS A 7 18.130 -3.730 -27.589 1.00 0.00 H new ATOM 0 HE2 HIS A 7 20.049 -2.058 -27.521 1.00 0.00 H new ATOM 103 N HIS A 8 16.799 2.436 -24.219 1.00 0.00 N ATOM 104 CA HIS A 8 16.716 3.808 -23.727 1.00 0.00 C ATOM 105 C HIS A 8 16.301 4.766 -24.843 1.00 0.00 C ATOM 106 O HIS A 8 15.186 5.287 -24.842 1.00 0.00 O ATOM 107 CB HIS A 8 18.060 4.238 -23.131 1.00 0.00 C ATOM 108 CG HIS A 8 17.956 5.411 -22.206 1.00 0.00 C ATOM 109 ND1 HIS A 8 16.923 6.322 -22.257 1.00 0.00 N ATOM 110 CD2 HIS A 8 18.764 5.820 -21.198 1.00 0.00 C ATOM 111 CE1 HIS A 8 17.097 7.239 -21.324 1.00 0.00 C ATOM 112 NE2 HIS A 8 18.207 6.958 -20.667 1.00 0.00 N ATOM 0 H HIS A 8 17.694 2.194 -24.644 1.00 0.00 H new ATOM 0 HA HIS A 8 15.955 3.845 -22.948 1.00 0.00 H new ATOM 0 HB2 HIS A 8 18.494 3.397 -22.591 1.00 0.00 H new ATOM 0 HB3 HIS A 8 18.746 4.484 -23.942 1.00 0.00 H new ATOM 0 HD2 HIS A 8 19.676 5.341 -20.873 1.00 0.00 H new ATOM 0 HE1 HIS A 8 16.443 8.076 -21.131 1.00 0.00 H new ATOM 0 HE2 HIS A 8 18.589 7.498 -19.891 1.00 0.00 H new ATOM 121 N HIS A 9 17.203 4.991 -25.795 1.00 0.00 N ATOM 122 CA HIS A 9 16.928 5.882 -26.917 1.00 0.00 C ATOM 123 C HIS A 9 16.624 7.302 -26.436 1.00 0.00 C ATOM 124 O HIS A 9 17.513 8.152 -26.389 1.00 0.00 O ATOM 125 CB HIS A 9 15.760 5.340 -27.747 1.00 0.00 C ATOM 126 CG HIS A 9 16.187 4.697 -29.030 1.00 0.00 C ATOM 127 ND1 HIS A 9 16.166 3.333 -29.232 1.00 0.00 N ATOM 128 CD2 HIS A 9 16.644 5.237 -30.184 1.00 0.00 C ATOM 129 CE1 HIS A 9 16.593 3.061 -30.452 1.00 0.00 C ATOM 130 NE2 HIS A 9 16.888 4.200 -31.051 1.00 0.00 N ATOM 0 H HIS A 9 18.131 4.568 -25.811 1.00 0.00 H new ATOM 0 HA HIS A 9 17.820 5.924 -27.542 1.00 0.00 H new ATOM 0 HB2 HIS A 9 15.208 4.613 -27.151 1.00 0.00 H new ATOM 0 HB3 HIS A 9 15.073 6.157 -27.970 1.00 0.00 H new ATOM 0 HD2 HIS A 9 16.790 6.288 -30.386 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.685 2.076 -30.885 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.240 4.295 -32.004 1.00 0.00 H new ATOM 139 N HIS A 10 15.365 7.555 -26.083 1.00 0.00 N ATOM 140 CA HIS A 10 14.954 8.873 -25.609 1.00 0.00 C ATOM 141 C HIS A 10 14.577 8.826 -24.132 1.00 0.00 C ATOM 142 O HIS A 10 14.610 7.766 -23.507 1.00 0.00 O ATOM 143 CB HIS A 10 13.771 9.394 -26.432 1.00 0.00 C ATOM 144 CG HIS A 10 13.857 9.062 -27.892 1.00 0.00 C ATOM 145 ND1 HIS A 10 14.393 9.919 -28.830 1.00 0.00 N ATOM 146 CD2 HIS A 10 13.470 7.959 -28.575 1.00 0.00 C ATOM 147 CE1 HIS A 10 14.332 9.360 -30.025 1.00 0.00 C ATOM 148 NE2 HIS A 10 13.776 8.169 -29.897 1.00 0.00 N ATOM 0 H HIS A 10 14.614 6.866 -26.116 1.00 0.00 H new ATOM 0 HA HIS A 10 15.798 9.552 -25.731 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.848 8.978 -26.028 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.710 10.476 -26.318 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.007 7.077 -28.157 1.00 0.00 H new ATOM 0 HE1 HIS A 10 14.677 9.801 -30.948 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.602 7.512 -30.657 1.00 0.00 H new ATOM 157 N HIS A 11 14.219 9.980 -23.578 1.00 0.00 N ATOM 158 CA HIS A 11 13.836 10.066 -22.172 1.00 0.00 C ATOM 159 C HIS A 11 12.678 9.121 -21.862 1.00 0.00 C ATOM 160 O HIS A 11 12.673 8.447 -20.832 1.00 0.00 O ATOM 161 CB HIS A 11 13.445 11.501 -21.814 1.00 0.00 C ATOM 162 CG HIS A 11 12.300 12.027 -22.624 1.00 0.00 C ATOM 163 ND1 HIS A 11 10.980 11.793 -22.303 1.00 0.00 N ATOM 164 CD2 HIS A 11 12.283 12.781 -23.749 1.00 0.00 C ATOM 165 CE1 HIS A 11 10.199 12.378 -23.194 1.00 0.00 C ATOM 166 NE2 HIS A 11 10.965 12.984 -24.081 1.00 0.00 N ATOM 0 H HIS A 11 14.186 10.867 -24.080 1.00 0.00 H new ATOM 0 HA HIS A 11 14.695 9.769 -21.571 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.183 11.545 -20.757 1.00 0.00 H new ATOM 0 HB3 HIS A 11 14.309 12.151 -21.955 1.00 0.00 H new ATOM 0 HD1 HIS A 11 10.656 11.252 -21.501 1.00 0.00 H new ATOM 0 HD2 HIS A 11 13.144 13.153 -24.285 1.00 0.00 H new ATOM 0 HE1 HIS A 11 9.119 12.363 -23.196 1.00 0.00 H new ATOM 175 N HIS A 12 11.700 9.076 -22.762 1.00 0.00 N ATOM 176 CA HIS A 12 10.537 8.212 -22.585 1.00 0.00 C ATOM 177 C HIS A 12 9.728 8.633 -21.361 1.00 0.00 C ATOM 178 O HIS A 12 10.106 9.558 -20.642 1.00 0.00 O ATOM 179 CB HIS A 12 10.974 6.752 -22.446 1.00 0.00 C ATOM 180 CG HIS A 12 10.167 5.800 -23.274 1.00 0.00 C ATOM 181 ND1 HIS A 12 10.550 5.385 -24.532 1.00 0.00 N ATOM 182 CD2 HIS A 12 8.993 5.175 -23.017 1.00 0.00 C ATOM 183 CE1 HIS A 12 9.649 4.548 -25.014 1.00 0.00 C ATOM 184 NE2 HIS A 12 8.693 4.403 -24.114 1.00 0.00 N ATOM 0 H HIS A 12 11.690 9.627 -23.620 1.00 0.00 H new ATOM 0 HA HIS A 12 9.905 8.311 -23.468 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.023 6.667 -22.730 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.903 6.459 -21.399 1.00 0.00 H new ATOM 0 HD2 HIS A 12 8.402 5.266 -22.117 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.687 4.065 -25.979 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.867 3.814 -24.216 1.00 0.00 H new ATOM 193 N GLU A 13 8.615 7.945 -21.130 1.00 0.00 N ATOM 194 CA GLU A 13 7.753 8.243 -19.994 1.00 0.00 C ATOM 195 C GLU A 13 8.274 7.566 -18.726 1.00 0.00 C ATOM 196 O GLU A 13 7.648 6.650 -18.193 1.00 0.00 O ATOM 197 CB GLU A 13 6.319 7.789 -20.289 1.00 0.00 C ATOM 198 CG GLU A 13 5.273 8.857 -20.015 1.00 0.00 C ATOM 199 CD GLU A 13 4.271 8.996 -21.145 1.00 0.00 C ATOM 200 OE1 GLU A 13 4.598 9.665 -22.148 1.00 0.00 O ATOM 201 OE2 GLU A 13 3.161 8.437 -21.028 1.00 0.00 O ATOM 0 H GLU A 13 8.289 7.176 -21.716 1.00 0.00 H new ATOM 0 HA GLU A 13 7.757 9.321 -19.831 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.251 7.485 -21.334 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.094 6.909 -19.686 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.744 8.614 -19.093 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.770 9.814 -19.855 1.00 0.00 H new ATOM 208 N ASN A 14 9.429 8.026 -18.250 1.00 0.00 N ATOM 209 CA ASN A 14 10.041 7.468 -17.047 1.00 0.00 C ATOM 210 C ASN A 14 9.057 7.465 -15.879 1.00 0.00 C ATOM 211 O ASN A 14 8.612 6.407 -15.434 1.00 0.00 O ATOM 212 CB ASN A 14 11.295 8.265 -16.674 1.00 0.00 C ATOM 213 CG ASN A 14 12.528 7.387 -16.560 1.00 0.00 C ATOM 214 OD1 ASN A 14 13.346 7.325 -17.478 1.00 0.00 O ATOM 215 ND2 ASN A 14 12.665 6.702 -15.431 1.00 0.00 N ATOM 0 H ASN A 14 9.960 8.784 -18.679 1.00 0.00 H new ATOM 0 HA ASN A 14 10.322 6.436 -17.259 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.469 9.035 -17.425 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.128 8.777 -15.726 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.473 6.094 -15.298 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.962 6.784 -14.696 1.00 0.00 H new ATOM 222 N LEU A 15 8.724 8.656 -15.390 1.00 0.00 N ATOM 223 CA LEU A 15 7.793 8.797 -14.275 1.00 0.00 C ATOM 224 C LEU A 15 8.335 8.124 -13.019 1.00 0.00 C ATOM 225 O LEU A 15 8.823 6.995 -13.066 1.00 0.00 O ATOM 226 CB LEU A 15 6.429 8.204 -14.640 1.00 0.00 C ATOM 227 CG LEU A 15 5.513 9.133 -15.438 1.00 0.00 C ATOM 228 CD1 LEU A 15 4.193 8.443 -15.748 1.00 0.00 C ATOM 229 CD2 LEU A 15 5.275 10.431 -14.678 1.00 0.00 C ATOM 0 H LEU A 15 9.086 9.539 -15.749 1.00 0.00 H new ATOM 0 HA LEU A 15 7.675 9.861 -14.070 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.588 7.293 -15.216 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.918 7.915 -13.722 1.00 0.00 H new ATOM 0 HG LEU A 15 6.004 9.374 -16.381 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.554 9.119 -16.316 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.381 7.543 -16.334 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.697 8.172 -14.816 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.621 11.079 -15.261 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.806 10.210 -13.719 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.227 10.934 -14.509 1.00 0.00 H new ATOM 241 N TYR A 16 8.245 8.825 -11.893 1.00 0.00 N ATOM 242 CA TYR A 16 8.726 8.295 -10.622 1.00 0.00 C ATOM 243 C TYR A 16 7.892 7.097 -10.181 1.00 0.00 C ATOM 244 O TYR A 16 6.674 7.196 -10.031 1.00 0.00 O ATOM 245 CB TYR A 16 8.686 9.381 -9.545 1.00 0.00 C ATOM 246 CG TYR A 16 9.848 9.323 -8.577 1.00 0.00 C ATOM 247 CD1 TYR A 16 10.372 8.104 -8.160 1.00 0.00 C ATOM 248 CD2 TYR A 16 10.420 10.487 -8.081 1.00 0.00 C ATOM 249 CE1 TYR A 16 11.432 8.050 -7.276 1.00 0.00 C ATOM 250 CE2 TYR A 16 11.482 10.439 -7.196 1.00 0.00 C ATOM 251 CZ TYR A 16 11.983 9.219 -6.796 1.00 0.00 C ATOM 252 OH TYR A 16 13.040 9.168 -5.917 1.00 0.00 O ATOM 0 H TYR A 16 7.844 9.761 -11.835 1.00 0.00 H new ATOM 0 HA TYR A 16 9.756 7.967 -10.761 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.675 10.358 -10.028 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.755 9.291 -8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.944 7.186 -8.533 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.030 11.445 -8.391 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.828 7.095 -6.962 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.917 11.353 -6.820 1.00 0.00 H new ATOM 0 HH TYR A 16 13.310 10.079 -5.677 1.00 0.00 H new ATOM 262 N PHE A 17 8.556 5.965 -9.973 1.00 0.00 N ATOM 263 CA PHE A 17 7.877 4.748 -9.547 1.00 0.00 C ATOM 264 C PHE A 17 8.882 3.628 -9.289 1.00 0.00 C ATOM 265 O PHE A 17 9.989 3.639 -9.824 1.00 0.00 O ATOM 266 CB PHE A 17 6.862 4.309 -10.604 1.00 0.00 C ATOM 267 CG PHE A 17 5.563 3.830 -10.025 1.00 0.00 C ATOM 268 CD1 PHE A 17 4.580 4.732 -9.652 1.00 0.00 C ATOM 269 CD2 PHE A 17 5.324 2.476 -9.852 1.00 0.00 C ATOM 270 CE1 PHE A 17 3.384 4.294 -9.117 1.00 0.00 C ATOM 271 CE2 PHE A 17 4.129 2.031 -9.318 1.00 0.00 C ATOM 272 CZ PHE A 17 3.158 2.941 -8.950 1.00 0.00 C ATOM 0 H PHE A 17 9.564 5.866 -10.093 1.00 0.00 H new ATOM 0 HA PHE A 17 7.351 4.960 -8.616 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.665 5.144 -11.276 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.298 3.512 -11.206 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.751 5.791 -9.781 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.080 1.760 -10.138 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.627 5.008 -8.830 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.955 0.973 -9.189 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.224 2.596 -8.532 1.00 0.00 H new ATOM 282 N GLN A 18 8.486 2.663 -8.465 1.00 0.00 N ATOM 283 CA GLN A 18 9.352 1.537 -8.136 1.00 0.00 C ATOM 284 C GLN A 18 8.788 0.235 -8.696 1.00 0.00 C ATOM 285 O GLN A 18 9.444 -0.451 -9.481 1.00 0.00 O ATOM 286 CB GLN A 18 9.522 1.423 -6.618 1.00 0.00 C ATOM 287 CG GLN A 18 10.191 2.634 -5.988 1.00 0.00 C ATOM 288 CD GLN A 18 11.228 2.250 -4.952 1.00 0.00 C ATOM 289 OE1 GLN A 18 10.900 1.684 -3.909 1.00 0.00 O ATOM 290 NE2 GLN A 18 12.489 2.557 -5.233 1.00 0.00 N ATOM 0 H GLN A 18 7.572 2.638 -8.013 1.00 0.00 H new ATOM 0 HA GLN A 18 10.326 1.715 -8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.543 1.280 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.112 0.534 -6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.665 3.230 -6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.432 3.263 -5.522 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.716 3.026 -6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.230 2.323 -4.572 1.00 0.00 H new ATOM 299 N GLY A 19 7.569 -0.099 -8.287 1.00 0.00 N ATOM 300 CA GLY A 19 6.936 -1.320 -8.757 1.00 0.00 C ATOM 301 C GLY A 19 5.547 -1.510 -8.183 1.00 0.00 C ATOM 302 O GLY A 19 4.561 -1.549 -8.921 1.00 0.00 O ATOM 0 H GLY A 19 7.007 0.453 -7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.876 -1.299 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.557 -2.174 -8.488 1.00 0.00 H new ATOM 306 N SER A 20 5.467 -1.629 -6.862 1.00 0.00 N ATOM 307 CA SER A 20 4.188 -1.813 -6.186 1.00 0.00 C ATOM 308 C SER A 20 4.369 -1.830 -4.671 1.00 0.00 C ATOM 309 O SER A 20 5.330 -2.402 -4.155 1.00 0.00 O ATOM 310 CB SER A 20 3.513 -3.107 -6.662 1.00 0.00 C ATOM 311 OG SER A 20 4.010 -4.256 -5.982 1.00 0.00 O ATOM 0 H SER A 20 6.273 -1.601 -6.238 1.00 0.00 H new ATOM 0 HA SER A 20 3.545 -0.971 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.437 -3.032 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.672 -3.224 -7.734 1.00 0.00 H new ATOM 0 HG SER A 20 3.552 -5.056 -6.314 1.00 0.00 H new ATOM 317 N LYS A 21 3.442 -1.198 -3.965 1.00 0.00 N ATOM 318 CA LYS A 21 3.501 -1.138 -2.511 1.00 0.00 C ATOM 319 C LYS A 21 2.155 -1.512 -1.895 1.00 0.00 C ATOM 320 O LYS A 21 2.001 -2.599 -1.341 1.00 0.00 O ATOM 321 CB LYS A 21 3.923 0.261 -2.064 1.00 0.00 C ATOM 322 CG LYS A 21 4.301 0.350 -0.595 1.00 0.00 C ATOM 323 CD LYS A 21 5.764 0.718 -0.415 1.00 0.00 C ATOM 324 CE LYS A 21 6.161 0.699 1.052 1.00 0.00 C ATOM 325 NZ LYS A 21 7.613 0.965 1.237 1.00 0.00 N ATOM 0 H LYS A 21 2.640 -0.720 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 21 4.241 -1.859 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.771 0.584 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.107 0.957 -2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.675 1.094 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.103 -0.606 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.388 0.019 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.946 1.709 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.583 1.447 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.912 -0.271 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.843 0.943 2.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.165 0.237 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.847 1.901 0.849 1.00 0.00 H new ATOM 339 N ARG A 22 1.184 -0.608 -1.996 1.00 0.00 N ATOM 340 CA ARG A 22 -0.144 -0.852 -1.446 1.00 0.00 C ATOM 341 C ARG A 22 -1.200 -0.813 -2.544 1.00 0.00 C ATOM 342 O ARG A 22 -1.060 -0.089 -3.530 1.00 0.00 O ATOM 343 CB ARG A 22 -0.478 0.182 -0.368 1.00 0.00 C ATOM 344 CG ARG A 22 0.611 0.342 0.682 1.00 0.00 C ATOM 345 CD ARG A 22 1.147 1.765 0.727 1.00 0.00 C ATOM 346 NE ARG A 22 0.694 2.485 1.911 1.00 0.00 N ATOM 347 CZ ARG A 22 1.006 2.136 3.157 1.00 0.00 C ATOM 348 NH1 ARG A 22 1.766 1.071 3.386 1.00 0.00 N ATOM 349 NH2 ARG A 22 0.558 2.855 4.177 1.00 0.00 N ATOM 0 H ARG A 22 1.293 0.298 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.144 -1.845 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.656 1.146 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.406 -0.106 0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.215 0.072 1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.427 -0.347 0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.237 1.742 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.827 2.301 -0.167 1.00 0.00 H new ATOM 0 HE ARG A 22 0.103 3.305 1.777 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.114 0.515 2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.002 0.809 4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.025 3.674 4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.796 2.589 5.132 1.00 0.00 H new ATOM 363 N LYS A 23 -2.258 -1.597 -2.365 1.00 0.00 N ATOM 364 CA LYS A 23 -3.342 -1.652 -3.338 1.00 0.00 C ATOM 365 C LYS A 23 -4.686 -1.375 -2.663 1.00 0.00 C ATOM 366 O LYS A 23 -5.222 -2.228 -1.957 1.00 0.00 O ATOM 367 CB LYS A 23 -3.361 -3.026 -4.012 1.00 0.00 C ATOM 368 CG LYS A 23 -2.163 -3.283 -4.915 1.00 0.00 C ATOM 369 CD LYS A 23 -2.585 -3.849 -6.262 1.00 0.00 C ATOM 370 CE LYS A 23 -2.813 -5.352 -6.192 1.00 0.00 C ATOM 371 NZ LYS A 23 -1.570 -6.118 -6.484 1.00 0.00 N ATOM 0 H LYS A 23 -2.387 -2.203 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.175 -0.885 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.397 -3.797 -3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.274 -3.120 -4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.615 -2.353 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.481 -3.978 -4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.499 -3.357 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.818 -3.631 -7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.178 -5.618 -5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.589 -5.635 -6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.769 -7.137 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.235 -5.884 -7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.837 -5.868 -5.790 1.00 0.00 H new ATOM 385 N ILE A 24 -5.226 -0.173 -2.879 1.00 0.00 N ATOM 386 CA ILE A 24 -6.505 0.206 -2.280 1.00 0.00 C ATOM 387 C ILE A 24 -7.633 0.120 -3.300 1.00 0.00 C ATOM 388 O ILE A 24 -7.408 0.337 -4.490 1.00 0.00 O ATOM 389 CB ILE A 24 -6.483 1.648 -1.714 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.080 2.058 -1.256 1.00 0.00 C ATOM 391 CG2 ILE A 24 -7.469 1.780 -0.563 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.919 3.557 -1.109 1.00 0.00 C ATOM 0 H ILE A 24 -4.800 0.549 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.674 -0.497 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.779 2.320 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.861 1.579 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.347 1.688 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.442 2.799 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.474 1.553 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.198 1.083 0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.904 3.784 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.107 4.039 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.629 3.929 -0.371 1.00 0.00 H new ATOM 404 N ILE A 25 -8.854 -0.163 -2.839 1.00 0.00 N ATOM 405 CA ILE A 25 -10.002 -0.231 -3.740 1.00 0.00 C ATOM 406 C ILE A 25 -11.091 0.735 -3.293 1.00 0.00 C ATOM 407 O ILE A 25 -11.300 0.938 -2.097 1.00 0.00 O ATOM 408 CB ILE A 25 -10.620 -1.642 -3.846 1.00 0.00 C ATOM 409 CG1 ILE A 25 -9.534 -2.702 -4.097 1.00 0.00 C ATOM 410 CG2 ILE A 25 -11.675 -1.651 -4.949 1.00 0.00 C ATOM 411 CD1 ILE A 25 -10.048 -3.975 -4.746 1.00 0.00 C ATOM 0 H ILE A 25 -9.070 -0.346 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.617 0.041 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.100 -1.895 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.760 -2.270 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.063 -2.956 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.113 -2.646 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.456 -0.928 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.211 -1.385 -5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.221 -4.670 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.800 -4.433 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.493 -3.737 -5.712 1.00 0.00 H new ATOM 423 N VAL A 26 -11.792 1.316 -4.260 1.00 0.00 N ATOM 424 CA VAL A 26 -12.875 2.249 -3.959 1.00 0.00 C ATOM 425 C VAL A 26 -14.184 1.767 -4.577 1.00 0.00 C ATOM 426 O VAL A 26 -14.298 1.665 -5.798 1.00 0.00 O ATOM 427 CB VAL A 26 -12.564 3.667 -4.481 1.00 0.00 C ATOM 428 CG1 VAL A 26 -13.698 4.629 -4.146 1.00 0.00 C ATOM 429 CG2 VAL A 26 -11.247 4.169 -3.913 1.00 0.00 C ATOM 0 H VAL A 26 -11.632 1.159 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.972 2.289 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.472 3.618 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.456 5.622 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.621 4.279 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.829 4.674 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.045 5.171 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.308 4.199 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.442 3.498 -4.213 1.00 0.00 H new ATOM 439 N ALA A 27 -15.170 1.466 -3.734 1.00 0.00 N ATOM 440 CA ALA A 27 -16.455 0.992 -4.230 1.00 0.00 C ATOM 441 C ALA A 27 -17.579 1.973 -3.932 1.00 0.00 C ATOM 442 O ALA A 27 -17.813 2.341 -2.781 1.00 0.00 O ATOM 443 CB ALA A 27 -16.773 -0.380 -3.653 1.00 0.00 C ATOM 0 H ALA A 27 -15.104 1.541 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.377 0.911 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.736 -0.720 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.997 -1.087 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.814 -0.317 -2.566 1.00 0.00 H new ATOM 449 N CYS A 28 -18.265 2.399 -4.990 1.00 0.00 N ATOM 450 CA CYS A 28 -19.365 3.351 -4.858 1.00 0.00 C ATOM 451 C CYS A 28 -20.441 3.112 -5.915 1.00 0.00 C ATOM 452 O CYS A 28 -20.312 2.226 -6.759 1.00 0.00 O ATOM 453 CB CYS A 28 -18.836 4.782 -4.970 1.00 0.00 C ATOM 454 SG CYS A 28 -18.062 5.403 -3.459 1.00 0.00 S ATOM 0 H CYS A 28 -18.079 2.100 -5.947 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.817 3.205 -3.877 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.110 4.827 -5.782 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.660 5.442 -5.241 1.00 0.00 H new ATOM 0 HG CYS A 28 -17.717 4.402 -2.705 1.00 0.00 H new ATOM 460 N GLY A 29 -21.504 3.913 -5.857 1.00 0.00 N ATOM 461 CA GLY A 29 -22.593 3.778 -6.809 1.00 0.00 C ATOM 462 C GLY A 29 -22.280 4.407 -8.152 1.00 0.00 C ATOM 463 O GLY A 29 -22.552 5.588 -8.371 1.00 0.00 O ATOM 0 H GLY A 29 -21.629 4.653 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -22.816 2.721 -6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -23.490 4.240 -6.396 1.00 0.00 H new ATOM 467 N GLY A 30 -21.715 3.616 -9.057 1.00 0.00 N ATOM 468 CA GLY A 30 -21.382 4.119 -10.376 1.00 0.00 C ATOM 469 C GLY A 30 -20.290 5.170 -10.344 1.00 0.00 C ATOM 470 O GLY A 30 -19.259 4.984 -9.697 1.00 0.00 O ATOM 0 H GLY A 30 -21.482 2.635 -8.901 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -21.063 3.289 -11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -22.275 4.543 -10.835 1.00 0.00 H new ATOM 474 N ALA A 31 -20.519 6.280 -11.038 1.00 0.00 N ATOM 475 CA ALA A 31 -19.546 7.364 -11.083 1.00 0.00 C ATOM 476 C ALA A 31 -20.133 8.600 -11.754 1.00 0.00 C ATOM 477 O ALA A 31 -20.277 8.644 -12.976 1.00 0.00 O ATOM 478 CB ALA A 31 -18.288 6.916 -11.810 1.00 0.00 C ATOM 0 H ALA A 31 -21.368 6.452 -11.576 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.286 7.627 -10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -17.571 7.736 -11.835 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -17.849 6.066 -11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.541 6.624 -12.829 1.00 0.00 H new ATOM 484 N VAL A 32 -20.470 9.603 -10.948 1.00 0.00 N ATOM 485 CA VAL A 32 -21.041 10.839 -11.468 1.00 0.00 C ATOM 486 C VAL A 32 -20.328 12.052 -10.878 1.00 0.00 C ATOM 487 O VAL A 32 -19.612 12.766 -11.582 1.00 0.00 O ATOM 488 CB VAL A 32 -22.553 10.947 -11.167 1.00 0.00 C ATOM 489 CG1 VAL A 32 -23.200 12.002 -12.053 1.00 0.00 C ATOM 490 CG2 VAL A 32 -23.249 9.602 -11.341 1.00 0.00 C ATOM 0 H VAL A 32 -20.357 9.583 -9.934 1.00 0.00 H new ATOM 0 HA VAL A 32 -20.904 10.820 -12.549 1.00 0.00 H new ATOM 0 HB VAL A 32 -22.666 11.250 -10.126 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -24.265 12.064 -11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -22.733 12.969 -11.868 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -23.067 11.729 -13.100 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -24.311 9.711 -11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -23.124 9.257 -12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -22.811 8.874 -10.658 1.00 0.00 H new ATOM 500 N ALA A 33 -20.531 12.283 -9.582 1.00 0.00 N ATOM 501 CA ALA A 33 -19.909 13.414 -8.898 1.00 0.00 C ATOM 502 C ALA A 33 -19.472 13.038 -7.483 1.00 0.00 C ATOM 503 O ALA A 33 -19.768 13.748 -6.520 1.00 0.00 O ATOM 504 CB ALA A 33 -20.870 14.592 -8.855 1.00 0.00 C ATOM 0 H ALA A 33 -21.121 11.702 -8.986 1.00 0.00 H new ATOM 0 HA ALA A 33 -19.019 13.698 -9.459 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -20.396 15.430 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -21.129 14.888 -9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -21.775 14.304 -8.319 1.00 0.00 H new ATOM 510 N THR A 34 -18.767 11.921 -7.363 1.00 0.00 N ATOM 511 CA THR A 34 -18.293 11.453 -6.065 1.00 0.00 C ATOM 512 C THR A 34 -17.113 10.496 -6.225 1.00 0.00 C ATOM 513 O THR A 34 -16.170 10.523 -5.434 1.00 0.00 O ATOM 514 CB THR A 34 -19.430 10.760 -5.303 1.00 0.00 C ATOM 515 OG1 THR A 34 -20.497 11.662 -5.066 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.011 10.189 -3.961 1.00 0.00 C ATOM 0 H THR A 34 -18.510 11.322 -8.147 1.00 0.00 H new ATOM 0 HA THR A 34 -17.957 12.320 -5.496 1.00 0.00 H new ATOM 0 HB THR A 34 -19.736 9.935 -5.946 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.189 12.580 -5.218 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.869 9.716 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.225 9.449 -4.110 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.638 10.992 -3.324 1.00 0.00 H new ATOM 524 N SER A 35 -17.173 9.647 -7.246 1.00 0.00 N ATOM 525 CA SER A 35 -16.111 8.680 -7.493 1.00 0.00 C ATOM 526 C SER A 35 -14.803 9.374 -7.868 1.00 0.00 C ATOM 527 O SER A 35 -13.742 9.039 -7.339 1.00 0.00 O ATOM 528 CB SER A 35 -16.525 7.704 -8.594 1.00 0.00 C ATOM 529 OG SER A 35 -17.759 7.088 -8.284 1.00 0.00 O ATOM 0 H SER A 35 -17.943 9.609 -7.913 1.00 0.00 H new ATOM 0 HA SER A 35 -15.945 8.124 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.607 8.234 -9.543 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.755 6.943 -8.719 1.00 0.00 H new ATOM 0 HG SER A 35 -17.671 6.116 -8.373 1.00 0.00 H new ATOM 535 N THR A 36 -14.878 10.341 -8.780 1.00 0.00 N ATOM 536 CA THR A 36 -13.689 11.071 -9.205 1.00 0.00 C ATOM 537 C THR A 36 -13.228 12.021 -8.107 1.00 0.00 C ATOM 538 O THR A 36 -12.033 12.252 -7.933 1.00 0.00 O ATOM 539 CB THR A 36 -13.957 11.854 -10.496 1.00 0.00 C ATOM 540 OG1 THR A 36 -14.792 11.115 -11.371 1.00 0.00 O ATOM 541 CG2 THR A 36 -12.697 12.201 -11.261 1.00 0.00 C ATOM 0 H THR A 36 -15.743 10.634 -9.235 1.00 0.00 H new ATOM 0 HA THR A 36 -12.901 10.344 -9.400 1.00 0.00 H new ATOM 0 HB THR A 36 -14.438 12.778 -10.173 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.951 11.634 -12.187 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.960 12.754 -12.163 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.049 12.814 -10.635 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.175 11.285 -11.537 1.00 0.00 H new ATOM 549 N MET A 37 -14.186 12.563 -7.360 1.00 0.00 N ATOM 550 CA MET A 37 -13.871 13.479 -6.274 1.00 0.00 C ATOM 551 C MET A 37 -12.989 12.792 -5.240 1.00 0.00 C ATOM 552 O MET A 37 -11.905 13.274 -4.912 1.00 0.00 O ATOM 553 CB MET A 37 -15.158 13.977 -5.616 1.00 0.00 C ATOM 554 CG MET A 37 -15.301 15.488 -5.635 1.00 0.00 C ATOM 555 SD MET A 37 -15.524 16.143 -7.299 1.00 0.00 S ATOM 556 CE MET A 37 -16.573 17.554 -6.968 1.00 0.00 C ATOM 0 H MET A 37 -15.182 12.383 -7.488 1.00 0.00 H new ATOM 0 HA MET A 37 -13.330 14.332 -6.684 1.00 0.00 H new ATOM 0 HB2 MET A 37 -16.013 13.532 -6.125 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.187 13.630 -4.583 1.00 0.00 H new ATOM 0 HG2 MET A 37 -16.152 15.776 -5.018 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.415 15.939 -5.187 1.00 0.00 H new ATOM 0 HE1 MET A 37 -16.800 18.066 -7.903 1.00 0.00 H new ATOM 0 HE2 MET A 37 -17.500 17.217 -6.504 1.00 0.00 H new ATOM 0 HE3 MET A 37 -16.059 18.240 -6.295 1.00 0.00 H new ATOM 566 N ALA A 38 -13.456 11.652 -4.743 1.00 0.00 N ATOM 567 CA ALA A 38 -12.702 10.889 -3.760 1.00 0.00 C ATOM 568 C ALA A 38 -11.371 10.446 -4.349 1.00 0.00 C ATOM 569 O ALA A 38 -10.310 10.744 -3.802 1.00 0.00 O ATOM 570 CB ALA A 38 -13.507 9.685 -3.284 1.00 0.00 C ATOM 0 H ALA A 38 -14.351 11.238 -5.005 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.505 11.528 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.927 9.127 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.437 10.026 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.734 9.040 -4.133 1.00 0.00 H new ATOM 576 N ALA A 39 -11.440 9.745 -5.480 1.00 0.00 N ATOM 577 CA ALA A 39 -10.246 9.260 -6.167 1.00 0.00 C ATOM 578 C ALA A 39 -9.158 10.329 -6.220 1.00 0.00 C ATOM 579 O ALA A 39 -8.024 10.093 -5.805 1.00 0.00 O ATOM 580 CB ALA A 39 -10.601 8.803 -7.574 1.00 0.00 C ATOM 0 H ALA A 39 -12.316 9.500 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.855 8.414 -5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.703 8.443 -8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.334 7.998 -7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.020 9.639 -8.133 1.00 0.00 H new ATOM 586 N GLU A 40 -9.507 11.506 -6.733 1.00 0.00 N ATOM 587 CA GLU A 40 -8.553 12.606 -6.836 1.00 0.00 C ATOM 588 C GLU A 40 -8.031 13.004 -5.459 1.00 0.00 C ATOM 589 O GLU A 40 -6.857 13.337 -5.305 1.00 0.00 O ATOM 590 CB GLU A 40 -9.201 13.813 -7.519 1.00 0.00 C ATOM 591 CG GLU A 40 -9.152 13.755 -9.037 1.00 0.00 C ATOM 592 CD GLU A 40 -7.836 14.259 -9.598 1.00 0.00 C ATOM 593 OE1 GLU A 40 -6.817 13.553 -9.445 1.00 0.00 O ATOM 594 OE2 GLU A 40 -7.825 15.358 -10.191 1.00 0.00 O ATOM 0 H GLU A 40 -10.440 11.722 -7.083 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.711 12.267 -7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.241 13.885 -7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.701 14.721 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.312 12.727 -9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.969 14.350 -9.446 1.00 0.00 H new ATOM 601 N GLU A 41 -8.911 12.968 -4.462 1.00 0.00 N ATOM 602 CA GLU A 41 -8.543 13.326 -3.095 1.00 0.00 C ATOM 603 C GLU A 41 -7.589 12.299 -2.494 1.00 0.00 C ATOM 604 O GLU A 41 -6.544 12.652 -1.947 1.00 0.00 O ATOM 605 CB GLU A 41 -9.792 13.447 -2.220 1.00 0.00 C ATOM 606 CG GLU A 41 -10.488 14.794 -2.334 1.00 0.00 C ATOM 607 CD GLU A 41 -9.761 15.893 -1.584 1.00 0.00 C ATOM 608 OE1 GLU A 41 -8.527 16.006 -1.744 1.00 0.00 O ATOM 609 OE2 GLU A 41 -10.426 16.641 -0.837 1.00 0.00 O ATOM 0 H GLU A 41 -9.887 12.694 -4.576 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.035 14.290 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.495 12.660 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.514 13.278 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.568 15.069 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.504 14.707 -1.949 1.00 0.00 H new ATOM 616 N ILE A 42 -7.953 11.025 -2.593 1.00 0.00 N ATOM 617 CA ILE A 42 -7.121 9.957 -2.052 1.00 0.00 C ATOM 618 C ILE A 42 -5.791 9.869 -2.795 1.00 0.00 C ATOM 619 O ILE A 42 -4.757 9.561 -2.202 1.00 0.00 O ATOM 620 CB ILE A 42 -7.819 8.582 -2.128 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.312 8.685 -1.782 1.00 0.00 C ATOM 622 CG2 ILE A 42 -7.128 7.592 -1.204 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.622 9.598 -0.614 1.00 0.00 C ATOM 0 H ILE A 42 -8.813 10.708 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.947 10.206 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.743 8.225 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.852 9.041 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.690 7.688 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.629 6.626 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.086 7.480 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.173 7.959 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.698 9.612 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.114 9.233 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.278 10.607 -0.840 1.00 0.00 H new ATOM 635 N LYS A 43 -5.824 10.141 -4.098 1.00 0.00 N ATOM 636 CA LYS A 43 -4.621 10.090 -4.924 1.00 0.00 C ATOM 637 C LYS A 43 -3.712 11.282 -4.641 1.00 0.00 C ATOM 638 O LYS A 43 -2.525 11.117 -4.363 1.00 0.00 O ATOM 639 CB LYS A 43 -4.992 10.063 -6.410 1.00 0.00 C ATOM 640 CG LYS A 43 -5.361 8.679 -6.922 1.00 0.00 C ATOM 641 CD LYS A 43 -5.016 8.518 -8.395 1.00 0.00 C ATOM 642 CE LYS A 43 -5.767 9.519 -9.260 1.00 0.00 C ATOM 643 NZ LYS A 43 -5.514 9.300 -10.712 1.00 0.00 N ATOM 0 H LYS A 43 -6.671 10.399 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.083 9.176 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.830 10.739 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.153 10.445 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.835 7.923 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.428 8.509 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.943 8.649 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.258 7.505 -8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.836 9.440 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.467 10.531 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.044 10.002 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.497 9.401 -10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.824 8.344 -10.978 1.00 0.00 H new ATOM 657 N GLU A 44 -4.278 12.485 -4.717 1.00 0.00 N ATOM 658 CA GLU A 44 -3.516 13.707 -4.474 1.00 0.00 C ATOM 659 C GLU A 44 -2.769 13.629 -3.148 1.00 0.00 C ATOM 660 O GLU A 44 -1.662 14.153 -3.016 1.00 0.00 O ATOM 661 CB GLU A 44 -4.446 14.923 -4.470 1.00 0.00 C ATOM 662 CG GLU A 44 -5.421 14.938 -3.303 1.00 0.00 C ATOM 663 CD GLU A 44 -6.152 16.258 -3.165 1.00 0.00 C ATOM 664 OE1 GLU A 44 -7.113 16.488 -3.928 1.00 0.00 O ATOM 665 OE2 GLU A 44 -5.762 17.062 -2.292 1.00 0.00 O ATOM 0 H GLU A 44 -5.260 12.639 -4.945 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.788 13.814 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.844 15.831 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.009 14.943 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.149 14.137 -3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.879 14.730 -2.380 1.00 0.00 H new ATOM 672 N LEU A 45 -3.382 12.974 -2.170 1.00 0.00 N ATOM 673 CA LEU A 45 -2.776 12.831 -0.855 1.00 0.00 C ATOM 674 C LEU A 45 -1.648 11.806 -0.877 1.00 0.00 C ATOM 675 O LEU A 45 -0.574 12.037 -0.321 1.00 0.00 O ATOM 676 CB LEU A 45 -3.830 12.427 0.171 1.00 0.00 C ATOM 677 CG LEU A 45 -3.786 13.224 1.473 1.00 0.00 C ATOM 678 CD1 LEU A 45 -4.712 14.427 1.396 1.00 0.00 C ATOM 679 CD2 LEU A 45 -4.152 12.339 2.651 1.00 0.00 C ATOM 0 H LEU A 45 -4.298 12.534 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.354 13.795 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.817 12.541 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.706 11.369 0.403 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.769 13.587 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.666 14.982 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.401 15.074 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.734 14.089 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.115 12.923 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.159 11.945 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.445 11.512 2.718 1.00 0.00 H new ATOM 691 N CYS A 46 -1.896 10.672 -1.524 1.00 0.00 N ATOM 692 CA CYS A 46 -0.901 9.612 -1.621 1.00 0.00 C ATOM 693 C CYS A 46 0.427 10.159 -2.139 1.00 0.00 C ATOM 694 O CYS A 46 1.493 9.822 -1.624 1.00 0.00 O ATOM 695 CB CYS A 46 -1.403 8.499 -2.542 1.00 0.00 C ATOM 696 SG CYS A 46 -2.701 7.472 -1.814 1.00 0.00 S ATOM 0 H CYS A 46 -2.779 10.464 -1.990 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.740 9.204 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.780 8.945 -3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.562 7.863 -2.818 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.830 8.116 -1.840 1.00 0.00 H new ATOM 702 N GLN A 47 0.350 11.010 -3.157 1.00 0.00 N ATOM 703 CA GLN A 47 1.542 11.611 -3.746 1.00 0.00 C ATOM 704 C GLN A 47 2.085 12.729 -2.861 1.00 0.00 C ATOM 705 O GLN A 47 3.285 13.006 -2.860 1.00 0.00 O ATOM 706 CB GLN A 47 1.225 12.161 -5.138 1.00 0.00 C ATOM 707 CG GLN A 47 1.227 11.100 -6.227 1.00 0.00 C ATOM 708 CD GLN A 47 2.206 11.412 -7.343 1.00 0.00 C ATOM 709 OE1 GLN A 47 3.309 11.900 -7.098 1.00 0.00 O ATOM 710 NE2 GLN A 47 1.805 11.133 -8.578 1.00 0.00 N ATOM 0 H GLN A 47 -0.526 11.299 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 47 2.304 10.836 -3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.248 12.644 -5.115 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.955 12.930 -5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.478 10.134 -5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.224 11.010 -6.643 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.882 10.729 -8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.420 11.323 -9.369 1.00 0.00 H new ATOM 719 N SER A 48 1.193 13.372 -2.111 1.00 0.00 N ATOM 720 CA SER A 48 1.584 14.462 -1.225 1.00 0.00 C ATOM 721 C SER A 48 2.687 14.018 -0.267 1.00 0.00 C ATOM 722 O SER A 48 3.671 14.730 -0.065 1.00 0.00 O ATOM 723 CB SER A 48 0.374 14.961 -0.432 1.00 0.00 C ATOM 724 OG SER A 48 0.170 16.348 -0.631 1.00 0.00 O ATOM 0 H SER A 48 0.196 13.156 -2.100 1.00 0.00 H new ATOM 0 HA SER A 48 1.968 15.276 -1.840 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.517 14.412 -0.738 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.523 14.761 0.629 1.00 0.00 H new ATOM 0 HG SER A 48 -0.610 16.641 -0.115 1.00 0.00 H new ATOM 730 N HIS A 49 2.513 12.837 0.318 1.00 0.00 N ATOM 731 CA HIS A 49 3.493 12.293 1.255 1.00 0.00 C ATOM 732 C HIS A 49 4.434 11.301 0.569 1.00 0.00 C ATOM 733 O HIS A 49 5.229 10.631 1.230 1.00 0.00 O ATOM 734 CB HIS A 49 2.780 11.604 2.421 1.00 0.00 C ATOM 735 CG HIS A 49 2.369 12.540 3.515 1.00 0.00 C ATOM 736 ND1 HIS A 49 2.558 13.905 3.453 1.00 0.00 N ATOM 737 CD2 HIS A 49 1.768 12.302 4.707 1.00 0.00 C ATOM 738 CE1 HIS A 49 2.095 14.465 4.556 1.00 0.00 C ATOM 739 NE2 HIS A 49 1.609 13.514 5.332 1.00 0.00 N ATOM 0 H HIS A 49 1.703 12.238 0.160 1.00 0.00 H new ATOM 0 HA HIS A 49 4.090 13.124 1.630 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.896 11.092 2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.437 10.840 2.837 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.470 11.338 5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.111 15.521 4.784 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.184 13.657 6.248 1.00 0.00 H new ATOM 748 N ASN A 50 4.343 11.208 -0.756 1.00 0.00 N ATOM 749 CA ASN A 50 5.188 10.297 -1.522 1.00 0.00 C ATOM 750 C ASN A 50 5.027 8.855 -1.037 1.00 0.00 C ATOM 751 O ASN A 50 5.995 8.210 -0.635 1.00 0.00 O ATOM 752 CB ASN A 50 6.657 10.727 -1.429 1.00 0.00 C ATOM 753 CG ASN A 50 7.136 11.425 -2.688 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.360 12.084 -3.379 1.00 0.00 O ATOM 755 ND2 ASN A 50 8.422 11.283 -2.994 1.00 0.00 N ATOM 0 H ASN A 50 3.692 11.753 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 50 4.872 10.341 -2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.784 11.394 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.278 9.851 -1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.800 11.730 -3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.031 10.728 -2.393 1.00 0.00 H new ATOM 762 N ILE A 51 3.795 8.354 -1.083 1.00 0.00 N ATOM 763 CA ILE A 51 3.510 6.988 -0.653 1.00 0.00 C ATOM 764 C ILE A 51 3.063 6.126 -1.833 1.00 0.00 C ATOM 765 O ILE A 51 1.918 6.216 -2.275 1.00 0.00 O ATOM 766 CB ILE A 51 2.415 6.944 0.432 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.655 8.023 1.488 1.00 0.00 C ATOM 768 CG2 ILE A 51 2.369 5.567 1.077 1.00 0.00 C ATOM 769 CD1 ILE A 51 1.389 8.721 1.933 1.00 0.00 C ATOM 0 H ILE A 51 2.980 8.872 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 51 4.437 6.594 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 51 1.453 7.140 -0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.136 7.571 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.348 8.764 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.592 5.549 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.149 4.817 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.333 5.347 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.633 9.474 2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.918 9.202 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.703 7.991 2.362 1.00 0.00 H new ATOM 781 N PRO A 52 3.960 5.276 -2.364 1.00 0.00 N ATOM 782 CA PRO A 52 3.637 4.403 -3.499 1.00 0.00 C ATOM 783 C PRO A 52 2.366 3.586 -3.260 1.00 0.00 C ATOM 784 O PRO A 52 2.348 2.694 -2.416 1.00 0.00 O ATOM 785 CB PRO A 52 4.862 3.485 -3.598 1.00 0.00 C ATOM 786 CG PRO A 52 5.977 4.265 -2.986 1.00 0.00 C ATOM 787 CD PRO A 52 5.352 5.098 -1.902 1.00 0.00 C ATOM 0 HA PRO A 52 3.439 4.969 -4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.697 2.548 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.081 3.229 -4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.740 3.602 -2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.467 4.895 -3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.393 4.596 -0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.862 6.054 -1.786 1.00 0.00 H new ATOM 795 N VAL A 53 1.310 3.886 -4.021 1.00 0.00 N ATOM 796 CA VAL A 53 0.036 3.169 -3.903 1.00 0.00 C ATOM 797 C VAL A 53 -0.711 3.158 -5.237 1.00 0.00 C ATOM 798 O VAL A 53 -0.431 3.972 -6.119 1.00 0.00 O ATOM 799 CB VAL A 53 -0.907 3.799 -2.851 1.00 0.00 C ATOM 800 CG1 VAL A 53 -2.123 2.914 -2.634 1.00 0.00 C ATOM 801 CG2 VAL A 53 -0.201 4.054 -1.527 1.00 0.00 C ATOM 0 H VAL A 53 1.312 4.622 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 53 0.297 2.157 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.228 4.765 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.777 3.370 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.664 2.802 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.802 1.934 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.903 4.497 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.172 3.112 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.634 4.737 -1.685 1.00 0.00 H new ATOM 811 N GLU A 54 -1.676 2.246 -5.368 1.00 0.00 N ATOM 812 CA GLU A 54 -2.483 2.146 -6.581 1.00 0.00 C ATOM 813 C GLU A 54 -3.968 2.275 -6.244 1.00 0.00 C ATOM 814 O GLU A 54 -4.535 1.420 -5.559 1.00 0.00 O ATOM 815 CB GLU A 54 -2.237 0.808 -7.287 1.00 0.00 C ATOM 816 CG GLU A 54 -0.792 0.339 -7.245 1.00 0.00 C ATOM 817 CD GLU A 54 -0.601 -1.002 -7.931 1.00 0.00 C ATOM 818 OE1 GLU A 54 -1.534 -1.450 -8.631 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.481 -1.603 -7.768 1.00 0.00 O ATOM 0 H GLU A 54 -1.916 1.566 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.191 2.958 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.868 0.047 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.549 0.896 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.157 1.084 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.467 0.263 -6.207 1.00 0.00 H new ATOM 826 N LEU A 55 -4.595 3.351 -6.718 1.00 0.00 N ATOM 827 CA LEU A 55 -6.011 3.589 -6.457 1.00 0.00 C ATOM 828 C LEU A 55 -6.888 2.901 -7.503 1.00 0.00 C ATOM 829 O LEU A 55 -6.913 3.304 -8.665 1.00 0.00 O ATOM 830 CB LEU A 55 -6.298 5.092 -6.454 1.00 0.00 C ATOM 831 CG LEU A 55 -7.625 5.498 -5.809 1.00 0.00 C ATOM 832 CD1 LEU A 55 -7.385 6.448 -4.649 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.547 6.139 -6.837 1.00 0.00 C ATOM 0 H LEU A 55 -4.144 4.070 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.248 3.170 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.487 5.600 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.288 5.450 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.108 4.599 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.340 6.726 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.763 5.958 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.879 7.343 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.485 6.421 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.069 7.027 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.748 5.429 -7.639 1.00 0.00 H new ATOM 845 N ILE A 56 -7.605 1.865 -7.085 1.00 0.00 N ATOM 846 CA ILE A 56 -8.479 1.129 -7.989 1.00 0.00 C ATOM 847 C ILE A 56 -9.938 1.285 -7.579 1.00 0.00 C ATOM 848 O ILE A 56 -10.238 1.442 -6.395 1.00 0.00 O ATOM 849 CB ILE A 56 -8.099 -0.369 -8.035 1.00 0.00 C ATOM 850 CG1 ILE A 56 -8.840 -1.076 -9.168 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.380 -1.054 -6.707 1.00 0.00 C ATOM 852 CD1 ILE A 56 -8.113 -2.298 -9.696 1.00 0.00 C ATOM 0 H ILE A 56 -7.598 1.516 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.349 1.548 -8.987 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.027 -0.434 -8.224 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.827 -1.374 -8.815 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.993 -0.372 -9.986 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.102 -2.106 -6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.798 -0.574 -5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.442 -0.974 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.696 -2.750 -10.498 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.136 -2.003 -10.079 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.983 -3.021 -8.890 1.00 0.00 H new ATOM 864 N GLN A 57 -10.846 1.241 -8.554 1.00 0.00 N ATOM 865 CA GLN A 57 -12.272 1.374 -8.277 1.00 0.00 C ATOM 866 C GLN A 57 -12.972 0.036 -8.480 1.00 0.00 C ATOM 867 O GLN A 57 -12.550 -0.773 -9.305 1.00 0.00 O ATOM 868 CB GLN A 57 -12.890 2.434 -9.188 1.00 0.00 C ATOM 869 CG GLN A 57 -13.481 3.615 -8.434 1.00 0.00 C ATOM 870 CD GLN A 57 -13.101 4.948 -9.047 1.00 0.00 C ATOM 871 OE1 GLN A 57 -13.904 5.582 -9.733 1.00 0.00 O ATOM 872 NE2 GLN A 57 -11.869 5.381 -8.805 1.00 0.00 N ATOM 0 H GLN A 57 -10.618 1.114 -9.540 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.400 1.685 -7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.128 2.798 -9.877 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.671 1.972 -9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.567 3.524 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.143 3.586 -7.398 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.236 4.824 -8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.556 6.271 -9.193 1.00 0.00 H new ATOM 881 N CYS A 58 -14.037 -0.198 -7.721 1.00 0.00 N ATOM 882 CA CYS A 58 -14.782 -1.447 -7.809 1.00 0.00 C ATOM 883 C CYS A 58 -16.199 -1.262 -7.280 1.00 0.00 C ATOM 884 O CYS A 58 -16.512 -0.248 -6.668 1.00 0.00 O ATOM 885 CB CYS A 58 -14.073 -2.544 -7.014 1.00 0.00 C ATOM 886 SG CYS A 58 -12.577 -3.188 -7.800 1.00 0.00 S ATOM 0 H CYS A 58 -14.404 0.463 -7.036 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.833 -1.742 -8.857 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.812 -2.152 -6.031 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.769 -3.368 -6.855 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.166 -2.349 -8.704 1.00 0.00 H new ATOM 892 N ARG A 59 -17.056 -2.245 -7.517 1.00 0.00 N ATOM 893 CA ARG A 59 -18.436 -2.191 -7.057 1.00 0.00 C ATOM 894 C ARG A 59 -18.552 -2.750 -5.636 1.00 0.00 C ATOM 895 O ARG A 59 -17.549 -2.943 -4.950 1.00 0.00 O ATOM 896 CB ARG A 59 -19.329 -2.988 -8.014 1.00 0.00 C ATOM 897 CG ARG A 59 -20.716 -2.394 -8.216 1.00 0.00 C ATOM 898 CD ARG A 59 -21.741 -3.469 -8.554 1.00 0.00 C ATOM 899 NE ARG A 59 -22.468 -3.164 -9.786 1.00 0.00 N ATOM 900 CZ ARG A 59 -23.488 -3.887 -10.246 1.00 0.00 C ATOM 901 NH1 ARG A 59 -23.900 -4.962 -9.585 1.00 0.00 N ATOM 902 NH2 ARG A 59 -24.097 -3.536 -11.371 1.00 0.00 N ATOM 0 H ARG A 59 -16.818 -3.095 -8.029 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.763 -1.151 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.832 -3.059 -8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.433 -4.004 -7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -21.023 -1.869 -7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.684 -1.656 -9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.238 -4.430 -8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -22.448 -3.568 -7.730 1.00 0.00 H new ATOM 0 HE ARG A 59 -22.177 -2.349 -10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -23.435 -5.238 -8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -24.682 -5.512 -9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.784 -2.712 -11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.878 -4.090 -11.723 1.00 0.00 H new ATOM 916 N VAL A 60 -19.782 -3.012 -5.204 1.00 0.00 N ATOM 917 CA VAL A 60 -20.031 -3.544 -3.868 1.00 0.00 C ATOM 918 C VAL A 60 -19.641 -5.019 -3.755 1.00 0.00 C ATOM 919 O VAL A 60 -19.519 -5.547 -2.651 1.00 0.00 O ATOM 920 CB VAL A 60 -21.512 -3.389 -3.473 1.00 0.00 C ATOM 921 CG1 VAL A 60 -21.858 -1.924 -3.254 1.00 0.00 C ATOM 922 CG2 VAL A 60 -22.412 -4.013 -4.531 1.00 0.00 C ATOM 0 H VAL A 60 -20.624 -2.864 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.408 -2.964 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.678 -3.916 -2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -22.908 -1.836 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.236 -1.519 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.678 -1.366 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.455 -3.895 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -22.246 -3.518 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.180 -5.074 -4.627 1.00 0.00 H new ATOM 932 N ASN A 61 -19.451 -5.683 -4.894 1.00 0.00 N ATOM 933 CA ASN A 61 -19.079 -7.096 -4.896 1.00 0.00 C ATOM 934 C ASN A 61 -17.992 -7.377 -5.929 1.00 0.00 C ATOM 935 O ASN A 61 -18.204 -8.121 -6.886 1.00 0.00 O ATOM 936 CB ASN A 61 -20.307 -7.966 -5.178 1.00 0.00 C ATOM 937 CG ASN A 61 -20.864 -8.601 -3.920 1.00 0.00 C ATOM 938 OD1 ASN A 61 -21.388 -7.915 -3.043 1.00 0.00 O ATOM 939 ND2 ASN A 61 -20.751 -9.922 -3.825 1.00 0.00 N ATOM 0 H ASN A 61 -19.548 -5.269 -5.821 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.684 -7.342 -3.910 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.080 -7.358 -5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.040 -8.748 -5.889 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.106 -10.406 -3.001 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -20.309 -10.451 -4.577 1.00 0.00 H new ATOM 946 N GLU A 62 -16.830 -6.772 -5.730 1.00 0.00 N ATOM 947 CA GLU A 62 -15.712 -6.955 -6.647 1.00 0.00 C ATOM 948 C GLU A 62 -14.397 -7.137 -5.890 1.00 0.00 C ATOM 949 O GLU A 62 -13.546 -7.927 -6.296 1.00 0.00 O ATOM 950 CB GLU A 62 -15.614 -5.762 -7.597 1.00 0.00 C ATOM 951 CG GLU A 62 -16.885 -5.517 -8.399 1.00 0.00 C ATOM 952 CD GLU A 62 -16.820 -6.109 -9.792 1.00 0.00 C ATOM 953 OE1 GLU A 62 -16.096 -7.109 -9.978 1.00 0.00 O ATOM 954 OE2 GLU A 62 -17.493 -5.572 -10.697 1.00 0.00 O ATOM 0 H GLU A 62 -16.636 -6.151 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.893 -7.861 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.380 -4.867 -7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.785 -5.924 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.734 -5.945 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.062 -4.444 -8.472 1.00 0.00 H new ATOM 961 N ILE A 63 -14.238 -6.411 -4.784 1.00 0.00 N ATOM 962 CA ILE A 63 -13.026 -6.512 -3.975 1.00 0.00 C ATOM 963 C ILE A 63 -12.755 -7.957 -3.582 1.00 0.00 C ATOM 964 O ILE A 63 -11.606 -8.396 -3.537 1.00 0.00 O ATOM 965 CB ILE A 63 -13.121 -5.666 -2.688 1.00 0.00 C ATOM 966 CG1 ILE A 63 -13.455 -4.207 -3.025 1.00 0.00 C ATOM 967 CG2 ILE A 63 -11.820 -5.752 -1.904 1.00 0.00 C ATOM 968 CD1 ILE A 63 -14.895 -3.829 -2.746 1.00 0.00 C ATOM 0 H ILE A 63 -14.930 -5.750 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.211 -6.132 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.925 -6.064 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.800 -3.552 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.240 -4.029 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.900 -5.151 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.626 -6.790 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.000 -5.377 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.054 -2.783 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -15.558 -4.458 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.111 -3.974 -1.687 1.00 0.00 H new ATOM 980 N GLU A 64 -13.823 -8.687 -3.299 1.00 0.00 N ATOM 981 CA GLU A 64 -13.707 -10.083 -2.908 1.00 0.00 C ATOM 982 C GLU A 64 -13.158 -10.925 -4.056 1.00 0.00 C ATOM 983 O GLU A 64 -12.329 -11.810 -3.848 1.00 0.00 O ATOM 984 CB GLU A 64 -15.065 -10.621 -2.461 1.00 0.00 C ATOM 985 CG GLU A 64 -15.636 -9.892 -1.256 1.00 0.00 C ATOM 986 CD GLU A 64 -16.320 -10.827 -0.279 1.00 0.00 C ATOM 987 OE1 GLU A 64 -17.380 -11.384 -0.632 1.00 0.00 O ATOM 988 OE2 GLU A 64 -15.797 -11.000 0.840 1.00 0.00 O ATOM 0 H GLU A 64 -14.780 -8.336 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.009 -10.147 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.769 -10.544 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.967 -11.680 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.834 -9.361 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.350 -9.141 -1.595 1.00 0.00 H new ATOM 995 N THR A 65 -13.626 -10.640 -5.268 1.00 0.00 N ATOM 996 CA THR A 65 -13.183 -11.370 -6.451 1.00 0.00 C ATOM 997 C THR A 65 -11.816 -10.880 -6.921 1.00 0.00 C ATOM 998 O THR A 65 -10.954 -11.678 -7.289 1.00 0.00 O ATOM 999 CB THR A 65 -14.205 -11.212 -7.580 1.00 0.00 C ATOM 1000 OG1 THR A 65 -14.368 -9.847 -7.921 1.00 0.00 O ATOM 1001 CG2 THR A 65 -15.570 -11.762 -7.231 1.00 0.00 C ATOM 0 H THR A 65 -14.312 -9.909 -5.456 1.00 0.00 H new ATOM 0 HA THR A 65 -13.097 -12.423 -6.184 1.00 0.00 H new ATOM 0 HB THR A 65 -13.802 -11.783 -8.416 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.127 -9.287 -7.154 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.246 -11.618 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.488 -12.826 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.961 -11.239 -6.359 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.625 -9.564 -6.905 1.00 0.00 N ATOM 1010 CA TYR A 66 -10.368 -8.955 -7.331 1.00 0.00 C ATOM 1011 C TYR A 66 -9.380 -8.843 -6.174 1.00 0.00 C ATOM 1012 O TYR A 66 -8.389 -8.119 -6.266 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.626 -7.573 -7.931 1.00 0.00 C ATOM 1014 CG TYR A 66 -11.613 -7.583 -9.079 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -11.688 -8.664 -9.948 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -12.470 -6.513 -9.290 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -12.589 -8.676 -10.994 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -13.375 -6.517 -10.333 1.00 0.00 C ATOM 1019 CZ TYR A 66 -13.431 -7.601 -11.183 1.00 0.00 C ATOM 1020 OH TYR A 66 -14.330 -7.612 -12.225 1.00 0.00 O ATOM 0 H TYR A 66 -12.331 -8.894 -6.599 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.927 -9.602 -8.090 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.998 -6.911 -7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.681 -7.156 -8.279 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.031 -9.509 -9.803 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.429 -5.662 -8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -12.634 -9.524 -11.661 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -14.035 -5.676 -10.482 1.00 0.00 H new ATOM 0 HH TYR A 66 -15.233 -7.454 -11.879 1.00 0.00 H new ATOM 1030 N MET A 67 -9.666 -9.544 -5.082 1.00 0.00 N ATOM 1031 CA MET A 67 -8.815 -9.522 -3.895 1.00 0.00 C ATOM 1032 C MET A 67 -7.441 -10.150 -4.161 1.00 0.00 C ATOM 1033 O MET A 67 -6.969 -10.982 -3.384 1.00 0.00 O ATOM 1034 CB MET A 67 -9.512 -10.272 -2.764 1.00 0.00 C ATOM 1035 CG MET A 67 -9.390 -9.590 -1.418 1.00 0.00 C ATOM 1036 SD MET A 67 -7.734 -9.721 -0.719 1.00 0.00 S ATOM 1037 CE MET A 67 -7.951 -11.106 0.394 1.00 0.00 C ATOM 0 H MET A 67 -10.489 -10.140 -4.993 1.00 0.00 H new ATOM 0 HA MET A 67 -8.652 -8.481 -3.617 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.568 -10.384 -3.010 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.093 -11.276 -2.693 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.653 -8.538 -1.523 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.108 -10.030 -0.726 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.993 -11.604 0.546 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.330 -10.748 1.351 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.662 -11.811 -0.037 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.810 -9.760 -5.264 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.507 -10.293 -5.636 1.00 0.00 C ATOM 1049 C ASP A 68 -4.431 -9.904 -4.623 1.00 0.00 C ATOM 1050 O ASP A 68 -3.652 -10.748 -4.182 1.00 0.00 O ATOM 1051 CB ASP A 68 -5.125 -9.804 -7.035 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.932 -10.948 -8.011 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -4.266 -11.936 -7.641 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -5.449 -10.855 -9.145 1.00 0.00 O ATOM 0 H ASP A 68 -7.184 -9.073 -5.918 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.575 -11.381 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.902 -9.137 -7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.206 -9.221 -6.975 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.385 -8.624 -4.261 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.393 -8.164 -3.305 1.00 0.00 C ATOM 1061 C GLY A 69 -3.653 -6.749 -2.827 1.00 0.00 C ATOM 1062 O GLY A 69 -2.795 -5.878 -2.961 1.00 0.00 O ATOM 0 H GLY A 69 -5.014 -7.901 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.382 -8.837 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.404 -8.213 -3.761 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.837 -6.517 -2.267 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.199 -5.193 -1.769 1.00 0.00 C ATOM 1068 C VAL A 70 -4.718 -4.975 -0.343 1.00 0.00 C ATOM 1069 O VAL A 70 -4.950 -5.802 0.539 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.718 -4.946 -1.816 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.157 -4.608 -3.227 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.481 -6.149 -1.284 1.00 0.00 C ATOM 0 H VAL A 70 -5.560 -7.226 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.703 -4.485 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.946 -4.096 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.233 -4.437 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.641 -3.708 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.912 -5.436 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.552 -5.949 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.250 -7.024 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.189 -6.337 -0.251 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.057 -3.848 -0.128 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.551 -3.500 1.188 1.00 0.00 C ATOM 1084 C HIS A 71 -4.623 -2.786 2.009 1.00 0.00 C ATOM 1085 O HIS A 71 -4.620 -2.857 3.238 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.317 -2.608 1.060 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.397 -2.696 2.236 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -0.847 -3.882 2.672 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -0.933 -1.740 3.076 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -0.088 -3.657 3.728 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -0.122 -2.363 3.993 1.00 0.00 N ATOM 0 H HIS A 71 -3.859 -3.157 -0.852 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.276 -4.421 1.702 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.770 -2.884 0.159 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.637 -1.574 0.935 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.159 -0.685 3.033 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.465 -4.402 4.280 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.374 -1.901 4.755 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.549 -2.108 1.326 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.628 -1.388 2.001 1.00 0.00 C ATOM 1102 C LEU A 72 -7.870 -1.297 1.110 1.00 0.00 C ATOM 1103 O LEU A 72 -7.772 -1.306 -0.116 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.176 0.028 2.374 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.013 0.116 3.366 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.169 1.353 3.090 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -5.536 0.132 4.795 1.00 0.00 C ATOM 0 H LEU A 72 -5.572 -2.044 0.308 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.879 -1.943 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.890 0.550 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.028 0.562 2.794 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.382 -0.764 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.347 1.400 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.768 1.301 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.787 2.245 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.698 0.195 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.188 0.995 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.098 -0.782 4.987 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.041 -1.211 1.732 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.293 -1.122 0.984 1.00 0.00 C ATOM 1121 C ILE A 73 -11.264 -0.122 1.600 1.00 0.00 C ATOM 1122 O ILE A 73 -11.321 0.046 2.816 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.003 -2.482 0.876 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.522 -3.452 1.961 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -10.803 -3.068 -0.505 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.223 -4.165 1.631 1.00 0.00 C ATOM 0 H ILE A 73 -9.151 -1.201 2.746 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.008 -0.782 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.070 -2.322 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.394 -2.902 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.298 -4.198 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.310 -4.031 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.216 -2.390 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.738 -3.206 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.955 -4.831 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -9.349 -4.746 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.431 -3.430 1.487 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.036 0.537 0.742 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.020 1.512 1.192 1.00 0.00 C ATOM 1140 C CYS A 74 -14.401 1.201 0.614 1.00 0.00 C ATOM 1141 O CYS A 74 -14.657 1.442 -0.566 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.590 2.921 0.787 1.00 0.00 C ATOM 1143 SG CYS A 74 -11.325 3.641 1.859 1.00 0.00 S ATOM 0 H CYS A 74 -11.998 0.413 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.081 1.456 2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.213 2.895 -0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.465 3.571 0.788 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.024 4.833 1.435 1.00 0.00 H new ATOM 1149 N THR A 75 -15.291 0.670 1.450 1.00 0.00 N ATOM 1150 CA THR A 75 -16.646 0.338 1.020 1.00 0.00 C ATOM 1151 C THR A 75 -17.669 0.939 1.978 1.00 0.00 C ATOM 1152 O THR A 75 -17.464 0.950 3.192 1.00 0.00 O ATOM 1153 CB THR A 75 -16.834 -1.179 0.950 1.00 0.00 C ATOM 1154 OG1 THR A 75 -16.508 -1.782 2.189 1.00 0.00 O ATOM 1155 CG2 THR A 75 -15.991 -1.845 -0.117 1.00 0.00 C ATOM 0 H THR A 75 -15.097 0.461 2.429 1.00 0.00 H new ATOM 0 HA THR A 75 -16.798 0.757 0.026 1.00 0.00 H new ATOM 0 HB THR A 75 -17.885 -1.324 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.636 -2.751 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.176 -2.919 -0.109 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.253 -1.439 -1.094 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.936 -1.657 0.083 1.00 0.00 H new ATOM 1163 N THR A 76 -18.771 1.440 1.430 1.00 0.00 N ATOM 1164 CA THR A 76 -19.821 2.044 2.243 1.00 0.00 C ATOM 1165 C THR A 76 -20.656 0.972 2.936 1.00 0.00 C ATOM 1166 O THR A 76 -21.806 0.730 2.569 1.00 0.00 O ATOM 1167 CB THR A 76 -20.716 2.931 1.377 1.00 0.00 C ATOM 1168 OG1 THR A 76 -20.698 2.499 0.029 1.00 0.00 O ATOM 1169 CG2 THR A 76 -20.311 4.390 1.397 1.00 0.00 C ATOM 0 H THR A 76 -18.960 1.440 0.428 1.00 0.00 H new ATOM 0 HA THR A 76 -19.348 2.658 3.009 1.00 0.00 H new ATOM 0 HB THR A 76 -21.714 2.841 1.807 1.00 0.00 H new ATOM 0 HG1 THR A 76 -21.278 3.078 -0.508 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.986 4.964 0.763 1.00 0.00 H new ATOM 0 HG22 THR A 76 -20.363 4.768 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.291 4.490 1.025 1.00 0.00 H new ATOM 1177 N ALA A 77 -20.066 0.337 3.944 1.00 0.00 N ATOM 1178 CA ALA A 77 -20.744 -0.712 4.703 1.00 0.00 C ATOM 1179 C ALA A 77 -21.415 -1.724 3.780 1.00 0.00 C ATOM 1180 O ALA A 77 -22.539 -1.511 3.325 1.00 0.00 O ATOM 1181 CB ALA A 77 -21.765 -0.104 5.651 1.00 0.00 C ATOM 0 H ALA A 77 -19.115 0.531 4.256 1.00 0.00 H new ATOM 0 HA ALA A 77 -19.990 -1.241 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -22.261 -0.898 6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -21.261 0.568 6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -22.505 0.455 5.079 1.00 0.00 H new ATOM 1187 N ARG A 78 -20.720 -2.822 3.508 1.00 0.00 N ATOM 1188 CA ARG A 78 -21.253 -3.863 2.637 1.00 0.00 C ATOM 1189 C ARG A 78 -21.344 -5.200 3.371 1.00 0.00 C ATOM 1190 O ARG A 78 -22.345 -5.908 3.266 1.00 0.00 O ATOM 1191 CB ARG A 78 -20.378 -4.009 1.392 1.00 0.00 C ATOM 1192 CG ARG A 78 -20.897 -5.034 0.398 1.00 0.00 C ATOM 1193 CD ARG A 78 -22.233 -4.614 -0.196 1.00 0.00 C ATOM 1194 NE ARG A 78 -23.362 -5.129 0.572 1.00 0.00 N ATOM 1195 CZ ARG A 78 -24.607 -5.190 0.105 1.00 0.00 C ATOM 1196 NH1 ARG A 78 -24.888 -4.746 -1.114 1.00 0.00 N ATOM 1197 NH2 ARG A 78 -25.574 -5.692 0.860 1.00 0.00 N ATOM 0 H ARG A 78 -19.789 -3.015 3.877 1.00 0.00 H new ATOM 0 HA ARG A 78 -22.258 -3.569 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.302 -3.041 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -19.370 -4.290 1.698 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -20.169 -5.167 -0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.006 -5.999 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -22.287 -3.526 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -22.301 -4.972 -1.223 1.00 0.00 H new ATOM 0 HE ARG A 78 -23.187 -5.461 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -24.148 -4.356 -1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -25.844 -4.795 -1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -25.364 -6.031 1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -26.528 -5.739 0.502 1.00 0.00 H new ATOM 1211 N VAL A 79 -20.291 -5.541 4.108 1.00 0.00 N ATOM 1212 CA VAL A 79 -20.252 -6.796 4.852 1.00 0.00 C ATOM 1213 C VAL A 79 -20.805 -6.620 6.265 1.00 0.00 C ATOM 1214 O VAL A 79 -21.325 -5.557 6.606 1.00 0.00 O ATOM 1215 CB VAL A 79 -18.818 -7.364 4.913 1.00 0.00 C ATOM 1216 CG1 VAL A 79 -18.339 -7.725 3.515 1.00 0.00 C ATOM 1217 CG2 VAL A 79 -17.867 -6.371 5.567 1.00 0.00 C ATOM 0 H VAL A 79 -19.454 -4.966 4.206 1.00 0.00 H new ATOM 0 HA VAL A 79 -20.884 -7.507 4.320 1.00 0.00 H new ATOM 0 HB VAL A 79 -18.830 -8.267 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -17.326 -8.125 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -19.003 -8.475 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -18.344 -6.834 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.863 -6.795 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -17.853 -5.446 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -18.203 -6.160 6.582 1.00 0.00 H new ATOM 1227 N ASP A 80 -20.680 -7.657 7.092 1.00 0.00 N ATOM 1228 CA ASP A 80 -21.162 -7.580 8.469 1.00 0.00 C ATOM 1229 C ASP A 80 -20.007 -7.403 9.449 1.00 0.00 C ATOM 1230 O ASP A 80 -20.193 -6.904 10.559 1.00 0.00 O ATOM 1231 CB ASP A 80 -21.970 -8.830 8.831 1.00 0.00 C ATOM 1232 CG ASP A 80 -23.467 -8.591 8.766 1.00 0.00 C ATOM 1233 OD1 ASP A 80 -23.879 -7.421 8.619 1.00 0.00 O ATOM 1234 OD2 ASP A 80 -24.229 -9.576 8.863 1.00 0.00 O ATOM 0 H ASP A 80 -20.255 -8.549 6.837 1.00 0.00 H new ATOM 0 HA ASP A 80 -21.811 -6.707 8.543 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.704 -9.640 8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.700 -9.155 9.836 1.00 0.00 H new ATOM 1239 N ARG A 81 -18.821 -7.836 9.038 1.00 0.00 N ATOM 1240 CA ARG A 81 -17.641 -7.745 9.893 1.00 0.00 C ATOM 1241 C ARG A 81 -16.349 -7.760 9.075 1.00 0.00 C ATOM 1242 O ARG A 81 -15.869 -6.709 8.649 1.00 0.00 O ATOM 1243 CB ARG A 81 -17.641 -8.889 10.919 1.00 0.00 C ATOM 1244 CG ARG A 81 -18.458 -10.106 10.497 1.00 0.00 C ATOM 1245 CD ARG A 81 -17.731 -11.407 10.799 1.00 0.00 C ATOM 1246 NE ARG A 81 -18.538 -12.307 11.623 1.00 0.00 N ATOM 1247 CZ ARG A 81 -18.993 -13.492 11.215 1.00 0.00 C ATOM 1248 NH1 ARG A 81 -18.726 -13.935 9.991 1.00 0.00 N ATOM 1249 NH2 ARG A 81 -19.719 -14.238 12.036 1.00 0.00 N ATOM 0 H ARG A 81 -18.650 -8.252 8.123 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.684 -6.792 10.421 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.612 -9.201 11.099 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.031 -8.514 11.865 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.417 -10.097 11.015 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.671 -10.048 9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.474 -11.904 9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.794 -11.188 11.312 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.767 -12.009 12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.168 -13.367 9.353 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.079 -14.843 9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.928 -13.905 12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.068 -15.145 11.726 1.00 0.00 H new ATOM 1263 N SER A 82 -15.785 -8.947 8.852 1.00 0.00 N ATOM 1264 CA SER A 82 -14.556 -9.076 8.087 1.00 0.00 C ATOM 1265 C SER A 82 -14.404 -10.507 7.581 1.00 0.00 C ATOM 1266 O SER A 82 -14.091 -11.418 8.347 1.00 0.00 O ATOM 1267 CB SER A 82 -13.349 -8.690 8.948 1.00 0.00 C ATOM 1268 OG SER A 82 -13.292 -7.288 9.148 1.00 0.00 O ATOM 0 H SER A 82 -16.164 -9.831 9.193 1.00 0.00 H new ATOM 0 HA SER A 82 -14.603 -8.401 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.409 -9.196 9.912 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.432 -9.029 8.467 1.00 0.00 H new ATOM 0 HG SER A 82 -14.056 -6.863 8.706 1.00 0.00 H new ATOM 1274 N PHE A 83 -14.633 -10.698 6.290 1.00 0.00 N ATOM 1275 CA PHE A 83 -14.526 -12.026 5.683 1.00 0.00 C ATOM 1276 C PHE A 83 -13.067 -12.484 5.576 1.00 0.00 C ATOM 1277 O PHE A 83 -12.656 -13.031 4.553 1.00 0.00 O ATOM 1278 CB PHE A 83 -15.180 -12.042 4.299 1.00 0.00 C ATOM 1279 CG PHE A 83 -14.661 -10.986 3.363 1.00 0.00 C ATOM 1280 CD1 PHE A 83 -15.160 -9.693 3.410 1.00 0.00 C ATOM 1281 CD2 PHE A 83 -13.681 -11.288 2.431 1.00 0.00 C ATOM 1282 CE1 PHE A 83 -14.691 -8.721 2.549 1.00 0.00 C ATOM 1283 CE2 PHE A 83 -13.211 -10.321 1.565 1.00 0.00 C ATOM 1284 CZ PHE A 83 -13.716 -9.034 1.625 1.00 0.00 C ATOM 0 H PHE A 83 -14.894 -9.956 5.640 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.052 -12.723 6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -15.025 -13.021 3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -16.256 -11.912 4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.926 -9.443 4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.281 -12.290 2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -15.087 -7.717 2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.449 -10.569 0.841 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.347 -8.276 0.950 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.285 -12.256 6.633 1.00 0.00 N ATOM 1295 CA GLY A 84 -10.886 -12.643 6.628 1.00 0.00 C ATOM 1296 C GLY A 84 -10.013 -11.603 7.304 1.00 0.00 C ATOM 1297 O GLY A 84 -10.047 -11.463 8.527 1.00 0.00 O ATOM 0 H GLY A 84 -12.600 -11.808 7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.772 -13.600 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.552 -12.786 5.600 1.00 0.00 H new ATOM 1301 N ASP A 85 -9.235 -10.861 6.521 1.00 0.00 N ATOM 1302 CA ASP A 85 -8.369 -9.831 7.073 1.00 0.00 C ATOM 1303 C ASP A 85 -8.409 -8.590 6.202 1.00 0.00 C ATOM 1304 O ASP A 85 -7.483 -7.789 6.220 1.00 0.00 O ATOM 1305 CB ASP A 85 -6.929 -10.340 7.172 1.00 0.00 C ATOM 1306 CG ASP A 85 -6.475 -10.533 8.605 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -7.115 -9.966 9.515 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -5.475 -11.251 8.817 1.00 0.00 O ATOM 0 H ASP A 85 -9.188 -10.955 5.506 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.727 -9.581 8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.845 -11.286 6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.263 -9.634 6.676 1.00 0.00 H new ATOM 1313 N ILE A 86 -9.482 -8.452 5.434 1.00 0.00 N ATOM 1314 CA ILE A 86 -9.653 -7.324 4.535 1.00 0.00 C ATOM 1315 C ILE A 86 -9.840 -6.015 5.297 1.00 0.00 C ATOM 1316 O ILE A 86 -10.939 -5.705 5.757 1.00 0.00 O ATOM 1317 CB ILE A 86 -10.852 -7.578 3.596 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -10.447 -8.615 2.546 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -11.360 -6.296 2.935 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -9.701 -8.034 1.360 1.00 0.00 C ATOM 0 H ILE A 86 -10.255 -9.118 5.418 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.744 -7.227 3.942 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.681 -7.958 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.822 -9.372 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.343 -9.121 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.203 -6.531 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -11.679 -5.592 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -10.560 -5.850 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.450 -8.832 0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.330 -7.299 0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.786 -7.553 1.706 1.00 0.00 H new ATOM 1332 N PRO A 87 -8.765 -5.220 5.423 1.00 0.00 N ATOM 1333 CA PRO A 87 -8.820 -3.929 6.112 1.00 0.00 C ATOM 1334 C PRO A 87 -9.640 -2.906 5.334 1.00 0.00 C ATOM 1335 O PRO A 87 -9.091 -2.103 4.578 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.352 -3.497 6.167 1.00 0.00 C ATOM 1337 CG PRO A 87 -6.727 -4.171 4.996 1.00 0.00 C ATOM 1338 CD PRO A 87 -7.416 -5.502 4.895 1.00 0.00 C ATOM 0 HA PRO A 87 -9.295 -4.003 7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.253 -2.413 6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.881 -3.804 7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.863 -3.587 4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.653 -4.293 5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.452 -5.860 3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.905 -6.266 5.481 1.00 0.00 H new ATOM 1346 N LEU A 88 -10.955 -2.934 5.520 1.00 0.00 N ATOM 1347 CA LEU A 88 -11.831 -1.997 4.829 1.00 0.00 C ATOM 1348 C LEU A 88 -12.415 -0.984 5.803 1.00 0.00 C ATOM 1349 O LEU A 88 -12.481 -1.230 7.008 1.00 0.00 O ATOM 1350 CB LEU A 88 -12.956 -2.721 4.081 1.00 0.00 C ATOM 1351 CG LEU A 88 -13.538 -3.954 4.775 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -14.489 -3.543 5.892 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.255 -4.837 3.762 1.00 0.00 C ATOM 0 H LEU A 88 -11.434 -3.589 6.138 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.224 -1.469 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.765 -2.011 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.580 -3.023 3.103 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.719 -4.522 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.892 -4.434 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.950 -2.946 6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.306 -2.954 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.665 -5.711 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.064 -4.274 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.550 -5.158 2.996 1.00 0.00 H new ATOM 1365 N VAL A 89 -12.840 0.158 5.274 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.420 1.208 6.097 1.00 0.00 C ATOM 1367 C VAL A 89 -14.614 1.851 5.403 1.00 0.00 C ATOM 1368 O VAL A 89 -14.724 1.819 4.178 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.386 2.300 6.431 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -12.915 3.215 7.524 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.059 1.677 6.845 1.00 0.00 C ATOM 0 H VAL A 89 -12.793 0.378 4.279 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.749 0.737 7.023 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.215 2.897 5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.173 3.981 7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.836 3.690 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.116 2.631 8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.343 2.466 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.209 1.053 7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.674 1.066 6.029 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.505 2.433 6.197 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.695 3.084 5.665 1.00 0.00 C ATOM 1383 C HIS A 90 -16.385 4.518 5.244 1.00 0.00 C ATOM 1384 O HIS A 90 -15.489 5.157 5.795 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.814 3.074 6.708 1.00 0.00 C ATOM 1386 CG HIS A 90 -17.997 1.747 7.380 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -17.988 1.591 8.751 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.197 0.508 6.867 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -18.173 0.318 9.052 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -18.303 -0.359 7.926 1.00 0.00 N ATOM 0 H HIS A 90 -15.425 2.467 7.213 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.024 2.530 4.786 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.600 3.829 7.465 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.750 3.360 6.228 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.261 0.251 5.820 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -18.211 -0.098 10.048 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -18.457 -1.365 7.854 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.131 5.016 4.261 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.917 6.369 3.781 1.00 0.00 C ATOM 1401 C GLY A 91 -18.196 7.183 3.734 1.00 0.00 C ATOM 1402 O GLY A 91 -18.351 8.058 2.883 1.00 0.00 O ATOM 0 H GLY A 91 -17.879 4.507 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.196 6.870 4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.478 6.331 2.784 1.00 0.00 H new ATOM 1406 N MET A 92 -19.115 6.896 4.652 1.00 0.00 N ATOM 1407 CA MET A 92 -20.387 7.610 4.713 1.00 0.00 C ATOM 1408 C MET A 92 -20.176 9.126 4.724 1.00 0.00 C ATOM 1409 O MET A 92 -20.815 9.850 3.960 1.00 0.00 O ATOM 1410 CB MET A 92 -21.177 7.191 5.954 1.00 0.00 C ATOM 1411 CG MET A 92 -22.678 7.129 5.722 1.00 0.00 C ATOM 1412 SD MET A 92 -23.493 5.903 6.762 1.00 0.00 S ATOM 1413 CE MET A 92 -22.657 4.409 6.238 1.00 0.00 C ATOM 0 H MET A 92 -19.003 6.174 5.364 1.00 0.00 H new ATOM 0 HA MET A 92 -20.954 7.348 3.819 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.827 6.213 6.285 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.970 7.894 6.761 1.00 0.00 H new ATOM 0 HG2 MET A 92 -23.112 8.110 5.916 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.870 6.896 4.675 1.00 0.00 H new ATOM 0 HE1 MET A 92 -23.348 3.568 6.290 1.00 0.00 H new ATOM 0 HE2 MET A 92 -22.307 4.528 5.213 1.00 0.00 H new ATOM 0 HE3 MET A 92 -21.806 4.220 6.892 1.00 0.00 H new ATOM 1423 N PRO A 93 -19.282 9.632 5.594 1.00 0.00 N ATOM 1424 CA PRO A 93 -19.011 11.067 5.690 1.00 0.00 C ATOM 1425 C PRO A 93 -18.184 11.585 4.517 1.00 0.00 C ATOM 1426 O PRO A 93 -18.267 12.761 4.161 1.00 0.00 O ATOM 1427 CB PRO A 93 -18.236 11.192 7.002 1.00 0.00 C ATOM 1428 CG PRO A 93 -17.557 9.878 7.167 1.00 0.00 C ATOM 1429 CD PRO A 93 -18.474 8.851 6.555 1.00 0.00 C ATOM 0 HA PRO A 93 -19.926 11.659 5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.514 12.008 6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.904 11.400 7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.586 9.877 6.672 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.378 9.662 8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.914 8.060 6.057 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -19.100 8.373 7.309 1.00 0.00 H new ATOM 1437 N PHE A 94 -17.389 10.703 3.915 1.00 0.00 N ATOM 1438 CA PHE A 94 -16.557 11.084 2.779 1.00 0.00 C ATOM 1439 C PHE A 94 -17.423 11.500 1.593 1.00 0.00 C ATOM 1440 O PHE A 94 -17.075 12.406 0.843 1.00 0.00 O ATOM 1441 CB PHE A 94 -15.634 9.933 2.372 1.00 0.00 C ATOM 1442 CG PHE A 94 -14.300 10.389 1.848 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -14.223 11.299 0.805 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -13.123 9.909 2.400 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -13.000 11.720 0.323 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.896 10.327 1.922 1.00 0.00 C ATOM 1447 CZ PHE A 94 -11.835 11.235 0.882 1.00 0.00 C ATOM 0 H PHE A 94 -17.304 9.725 4.194 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.944 11.933 3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.474 9.284 3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -16.129 9.333 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -15.131 11.683 0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.165 9.200 3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.955 12.428 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.986 9.945 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.877 11.565 0.507 1.00 0.00 H new ATOM 1457 N VAL A 95 -18.553 10.830 1.425 1.00 0.00 N ATOM 1458 CA VAL A 95 -19.454 11.141 0.322 1.00 0.00 C ATOM 1459 C VAL A 95 -20.188 12.464 0.563 1.00 0.00 C ATOM 1460 O VAL A 95 -20.656 13.104 -0.378 1.00 0.00 O ATOM 1461 CB VAL A 95 -20.479 10.010 0.101 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -21.375 10.310 -1.094 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -19.766 8.676 -0.083 1.00 0.00 C ATOM 0 H VAL A 95 -18.868 10.073 2.032 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.842 11.238 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 95 -21.112 9.946 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -22.088 9.497 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.915 11.241 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.764 10.408 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -20.503 7.888 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.107 8.732 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -19.177 8.452 0.807 1.00 0.00 H new ATOM 1473 N SER A 96 -20.277 12.875 1.827 1.00 0.00 N ATOM 1474 CA SER A 96 -20.949 14.124 2.182 1.00 0.00 C ATOM 1475 C SER A 96 -20.349 15.313 1.433 1.00 0.00 C ATOM 1476 O SER A 96 -21.060 16.249 1.067 1.00 0.00 O ATOM 1477 CB SER A 96 -20.858 14.365 3.690 1.00 0.00 C ATOM 1478 OG SER A 96 -21.963 15.124 4.158 1.00 0.00 O ATOM 0 H SER A 96 -19.893 12.363 2.621 1.00 0.00 H new ATOM 0 HA SER A 96 -21.996 14.031 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.824 13.409 4.212 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.930 14.888 3.922 1.00 0.00 H new ATOM 0 HG SER A 96 -21.880 15.261 5.125 1.00 0.00 H new ATOM 1484 N GLY A 97 -19.038 15.272 1.216 1.00 0.00 N ATOM 1485 CA GLY A 97 -18.367 16.356 0.518 1.00 0.00 C ATOM 1486 C GLY A 97 -18.214 17.605 1.371 1.00 0.00 C ATOM 1487 O GLY A 97 -17.655 18.603 0.917 1.00 0.00 O ATOM 0 H GLY A 97 -18.428 14.509 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -17.382 16.019 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.929 16.604 -0.383 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.714 17.553 2.605 1.00 0.00 N ATOM 1492 CA VAL A 98 -18.632 18.692 3.513 1.00 0.00 C ATOM 1493 C VAL A 98 -17.541 18.487 4.561 1.00 0.00 C ATOM 1494 O VAL A 98 -16.791 19.410 4.879 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.973 18.937 4.235 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.998 20.319 4.873 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -21.142 18.765 3.275 1.00 0.00 C ATOM 0 H VAL A 98 -19.179 16.734 2.997 1.00 0.00 H new ATOM 0 HA VAL A 98 -18.390 19.561 2.901 1.00 0.00 H new ATOM 0 HB VAL A 98 -20.072 18.195 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.953 20.470 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -19.188 20.400 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.871 21.078 4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -22.078 18.942 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -21.048 19.478 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -21.138 17.751 2.875 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.463 17.273 5.100 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.466 16.971 6.110 1.00 0.00 C ATOM 1509 C GLY A 99 -15.271 16.225 5.549 1.00 0.00 C ATOM 1510 O GLY A 99 -14.623 15.454 6.256 1.00 0.00 O ATOM 0 H GLY A 99 -18.073 16.493 4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.127 17.900 6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.924 16.374 6.899 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.979 16.456 4.275 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.854 15.801 3.616 1.00 0.00 C ATOM 1516 C ILE A 100 -12.530 16.264 4.205 1.00 0.00 C ATOM 1517 O ILE A 100 -11.651 15.454 4.500 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.850 16.089 2.103 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -15.254 15.930 1.519 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -12.863 15.178 1.391 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -15.931 14.637 1.907 1.00 0.00 C ATOM 0 H ILE A 100 -15.506 17.092 3.676 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.970 14.730 3.780 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.535 17.121 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.871 16.766 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.194 15.986 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.873 15.395 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.861 15.347 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.146 14.138 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.922 14.596 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.336 13.795 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -16.024 14.586 2.992 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.394 17.573 4.372 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.178 18.153 4.926 1.00 0.00 C ATOM 1535 C GLU A 101 -10.832 17.510 6.265 1.00 0.00 C ATOM 1536 O GLU A 101 -9.690 17.117 6.501 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.342 19.666 5.096 1.00 0.00 C ATOM 1538 CG GLU A 101 -12.010 20.344 3.908 1.00 0.00 C ATOM 1539 CD GLU A 101 -11.122 21.384 3.253 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -10.876 22.435 3.881 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -10.673 21.147 2.112 1.00 0.00 O ATOM 0 H GLU A 101 -13.113 18.255 4.131 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.361 17.961 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.930 19.861 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.361 20.114 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.284 19.589 3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.935 20.817 4.238 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.830 17.401 7.137 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.635 16.802 8.452 1.00 0.00 C ATOM 1550 C ALA A 102 -11.452 15.291 8.345 1.00 0.00 C ATOM 1551 O ALA A 102 -10.571 14.716 8.985 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.810 17.128 9.360 1.00 0.00 C ATOM 0 H ALA A 102 -12.782 17.720 6.956 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.727 17.223 8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.651 16.674 10.338 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.895 18.209 9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.728 16.735 8.923 1.00 0.00 H new ATOM 1558 N LEU A 103 -12.288 14.654 7.530 1.00 0.00 N ATOM 1559 CA LEU A 103 -12.216 13.209 7.337 1.00 0.00 C ATOM 1560 C LEU A 103 -10.846 12.808 6.799 1.00 0.00 C ATOM 1561 O LEU A 103 -10.171 11.950 7.364 1.00 0.00 O ATOM 1562 CB LEU A 103 -13.312 12.746 6.376 1.00 0.00 C ATOM 1563 CG LEU A 103 -13.303 11.251 6.053 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.578 10.433 7.306 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -14.325 10.934 4.972 1.00 0.00 C ATOM 0 H LEU A 103 -13.022 15.115 6.993 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.366 12.726 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.281 13.004 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.216 13.304 5.444 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.314 10.985 5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.568 9.372 7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.809 10.639 8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.554 10.702 7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.305 9.866 4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -15.320 11.215 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -14.084 11.493 4.068 1.00 0.00 H new ATOM 1577 N GLN A 104 -10.442 13.442 5.702 1.00 0.00 N ATOM 1578 CA GLN A 104 -9.151 13.166 5.079 1.00 0.00 C ATOM 1579 C GLN A 104 -8.030 13.179 6.117 1.00 0.00 C ATOM 1580 O GLN A 104 -7.196 12.274 6.154 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.863 14.201 3.991 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.684 13.847 3.101 1.00 0.00 C ATOM 1583 CD GLN A 104 -7.931 14.186 1.644 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -8.361 15.293 1.316 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -7.663 13.233 0.760 1.00 0.00 N ATOM 0 H GLN A 104 -10.994 14.154 5.224 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.194 12.173 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.752 14.318 3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.673 15.166 4.462 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.798 14.379 3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.472 12.782 3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.308 12.330 1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.812 13.403 -0.235 1.00 0.00 H new ATOM 1594 N ASN A 105 -8.019 14.212 6.957 1.00 0.00 N ATOM 1595 CA ASN A 105 -7.002 14.346 7.997 1.00 0.00 C ATOM 1596 C ASN A 105 -6.873 13.066 8.810 1.00 0.00 C ATOM 1597 O ASN A 105 -5.779 12.697 9.236 1.00 0.00 O ATOM 1598 CB ASN A 105 -7.330 15.511 8.927 1.00 0.00 C ATOM 1599 CG ASN A 105 -6.135 15.921 9.765 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -5.002 15.937 9.283 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -6.381 16.250 11.026 1.00 0.00 N ATOM 0 H ASN A 105 -8.703 14.968 6.938 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.051 14.541 7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.668 16.362 8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.154 15.231 9.583 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.615 16.531 11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.336 16.222 11.383 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.992 12.388 9.022 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.984 11.148 9.781 1.00 0.00 C ATOM 1610 C LYS A 106 -7.407 10.020 8.942 1.00 0.00 C ATOM 1611 O LYS A 106 -6.636 9.204 9.433 1.00 0.00 O ATOM 1612 CB LYS A 106 -9.395 10.785 10.251 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.457 10.363 11.710 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.921 11.503 12.602 1.00 0.00 C ATOM 1615 CE LYS A 106 -9.638 11.216 14.068 1.00 0.00 C ATOM 1616 NZ LYS A 106 -10.220 9.916 14.503 1.00 0.00 N ATOM 0 H LYS A 106 -8.910 12.674 8.682 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.356 11.293 10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.051 11.642 10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.780 9.976 9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.136 9.517 11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.473 10.024 12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.419 12.424 12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.990 11.664 12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.561 11.205 14.234 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.047 12.020 14.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.170 9.843 15.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.213 9.862 14.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.684 9.135 14.074 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.773 9.992 7.666 1.00 0.00 N ATOM 1631 CA ILE A 107 -7.280 8.965 6.757 1.00 0.00 C ATOM 1632 C ILE A 107 -5.755 8.946 6.728 1.00 0.00 C ATOM 1633 O ILE A 107 -5.137 7.893 6.881 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.814 9.173 5.326 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -9.332 9.352 5.344 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.432 7.995 4.440 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -10.066 8.207 6.007 1.00 0.00 C ATOM 0 H ILE A 107 -8.408 10.667 7.239 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.644 8.008 7.131 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.362 10.077 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.575 10.279 5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.690 9.458 4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.816 8.157 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -6.346 7.904 4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.859 7.079 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.138 8.400 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.853 7.281 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.736 8.114 7.042 1.00 0.00 H new ATOM 1649 N LEU A 108 -5.149 10.114 6.532 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.693 10.213 6.487 1.00 0.00 C ATOM 1651 C LEU A 108 -3.073 9.852 7.833 1.00 0.00 C ATOM 1652 O LEU A 108 -2.035 9.193 7.887 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.248 11.617 6.072 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.947 12.770 6.797 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -3.004 13.423 7.797 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -4.458 13.798 5.799 1.00 0.00 C ATOM 0 H LEU A 108 -5.639 10.999 6.403 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.344 9.500 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.174 11.703 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.414 11.730 5.001 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.800 12.365 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.519 14.240 8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.686 12.684 8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.131 13.813 7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.952 14.610 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.621 14.197 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.168 13.325 5.121 1.00 0.00 H new ATOM 1668 N THR A 109 -3.705 10.287 8.920 1.00 0.00 N ATOM 1669 CA THR A 109 -3.190 10.002 10.256 1.00 0.00 C ATOM 1670 C THR A 109 -3.094 8.497 10.499 1.00 0.00 C ATOM 1671 O THR A 109 -2.128 8.015 11.087 1.00 0.00 O ATOM 1672 CB THR A 109 -4.061 10.654 11.331 1.00 0.00 C ATOM 1673 OG1 THR A 109 -4.144 12.053 11.127 1.00 0.00 O ATOM 1674 CG2 THR A 109 -3.537 10.424 12.733 1.00 0.00 C ATOM 0 H THR A 109 -4.566 10.833 8.903 1.00 0.00 H new ATOM 0 HA THR A 109 -2.188 10.426 10.318 1.00 0.00 H new ATOM 0 HB THR A 109 -5.041 10.185 11.241 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.575 12.233 10.265 1.00 0.00 H new ATOM 0 HG21 THR A 109 -4.196 10.910 13.452 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.503 9.354 12.938 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.534 10.842 12.820 1.00 0.00 H new ATOM 1682 N ILE A 110 -4.103 7.758 10.053 1.00 0.00 N ATOM 1683 CA ILE A 110 -4.118 6.310 10.234 1.00 0.00 C ATOM 1684 C ILE A 110 -3.013 5.637 9.423 1.00 0.00 C ATOM 1685 O ILE A 110 -2.275 4.801 9.942 1.00 0.00 O ATOM 1686 CB ILE A 110 -5.477 5.698 9.836 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -6.631 6.501 10.443 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -5.556 4.245 10.280 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -6.644 6.501 11.957 1.00 0.00 C ATOM 0 H ILE A 110 -4.917 8.134 9.566 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.947 6.130 11.295 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.564 5.737 8.750 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.571 7.530 10.089 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.575 6.094 10.081 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.521 3.828 9.992 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.758 3.675 9.804 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.446 4.189 11.363 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.489 7.090 12.314 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -6.736 5.477 12.320 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -5.716 6.936 12.329 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.908 5.998 8.146 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.897 5.414 7.269 1.00 0.00 C ATOM 1703 C LEU A 111 -0.484 5.870 7.644 1.00 0.00 C ATOM 1704 O LEU A 111 0.496 5.219 7.282 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.194 5.747 5.802 1.00 0.00 C ATOM 1706 CG LEU A 111 -2.426 7.227 5.494 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -1.117 7.905 5.120 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -3.446 7.382 4.374 1.00 0.00 C ATOM 0 H LEU A 111 -3.508 6.690 7.697 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.940 4.333 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.362 5.394 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.077 5.187 5.493 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.819 7.709 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.301 8.957 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.414 7.822 5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.696 7.422 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.600 8.441 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.078 6.886 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.391 6.930 4.677 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.375 6.980 8.374 1.00 0.00 N ATOM 1721 CA GLN A 112 0.933 7.484 8.788 1.00 0.00 C ATOM 1722 C GLN A 112 1.314 6.943 10.164 1.00 0.00 C ATOM 1723 O GLN A 112 2.492 6.895 10.519 1.00 0.00 O ATOM 1724 CB GLN A 112 0.954 9.018 8.804 1.00 0.00 C ATOM 1725 CG GLN A 112 0.113 9.636 9.908 1.00 0.00 C ATOM 1726 CD GLN A 112 0.866 10.689 10.702 1.00 0.00 C ATOM 1727 OE1 GLN A 112 1.145 11.779 10.201 1.00 0.00 O ATOM 1728 NE2 GLN A 112 1.200 10.367 11.948 1.00 0.00 N ATOM 0 H GLN A 112 -1.167 7.541 8.688 1.00 0.00 H new ATOM 0 HA GLN A 112 1.665 7.135 8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.984 9.356 8.914 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.599 9.386 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.778 10.086 9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.225 8.851 10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.949 9.452 12.323 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.707 11.035 12.529 1.00 0.00 H new ATOM 1737 N GLY A 113 0.311 6.536 10.936 1.00 0.00 N ATOM 1738 CA GLY A 113 0.563 6.004 12.261 1.00 0.00 C ATOM 1739 C GLY A 113 0.493 7.069 13.336 1.00 0.00 C ATOM 1740 O GLY A 113 -0.195 8.089 13.119 1.00 0.00 O ATOM 1741 OXT GLY A 113 1.125 6.883 14.398 1.00 0.00 O ATOM 0 H GLY A 113 -0.672 6.566 10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.165 5.223 12.480 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.548 5.537 12.280 1.00 0.00 H new TER 1745 GLY A 113