USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.17) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=0) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 68 ASN : amide:sc= -0.869 K(o=-0.87,f=-2.6!) USER MOD Set 3.1: A 22 CYS SG : rot -154:sc= 0.943 USER MOD Set 3.2: A 43 ASN : amide:sc= 0.809 K(o=1.8,f=-0.26) USER MOD Set 4.1: A 10 MET CE :methyl 176:sc= -0.153 (180deg=-0.162) USER MOD Set 4.2: A 24 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 3 ASN : amide:sc= 0.156 K(o=1,f=-7.4!) USER MOD Set 5.2: A 5 LYS NZ :NH3+ -110:sc= 0.846 (180deg=0) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.503 (180deg=-1.41) USER MOD Single : A 4 MET CE :methyl -136:sc= -0.365 (180deg=-3.72!) USER MOD Single : A 9 SER OG : rot 170:sc= 0.0547 USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -110:sc= -0.219 USER MOD Single : A 17 ASN : amide:sc=-0.00219 X(o=-0.0022,f=-0.081) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.0322 (180deg=-0.381) USER MOD Single : A 33 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.16) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 15:sc= 1.17 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0492 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.35) USER MOD Single : A 50 SER OG : rot 79:sc= 0.303 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc=-0.00935 (180deg=-0.104) USER MOD Single : A 57 ASN : amide:sc= -0.19 K(o=-0.19,f=-3.6!) USER MOD Single : A 61 CYS SG : rot -150:sc= -0.296 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.24) USER MOD Single : A 65 SER OG : rot 162:sc= 0.705 USER MOD Single : A 69 TYR OH : rot -178:sc= 1.66 USER MOD Single : A 70 LYS NZ :NH3+ -135:sc= 0.458 (180deg=-2.24) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.12) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.996 K(o=1,f=-4!) USER MOD Single : A 91 SER OG : rot -79:sc= 1.22 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -145:sc=-0.00785 (180deg=-0.492) USER MOD Single : A 102 SER OG : rot 51:sc= 0.109 USER MOD Single : A 103 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 17.745 4.288 8.168 1.00 0.00 N ATOM 2 CA GLY A -2 16.973 3.257 7.471 1.00 0.00 C ATOM 3 C GLY A -2 17.569 1.886 7.688 1.00 0.00 C ATOM 4 O GLY A -2 17.721 1.481 8.843 1.00 0.00 O ATOM 0 H1 GLY A -2 17.312 5.219 8.001 1.00 0.00 H new ATOM 0 H2 GLY A -2 17.750 4.087 9.188 1.00 0.00 H new ATOM 0 H3 GLY A -2 18.722 4.291 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A -2 15.943 3.269 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A -2 16.945 3.479 6.404 1.00 0.00 H new ATOM 8 N HIS A -1 17.884 1.177 6.598 1.00 0.00 N ATOM 9 CA HIS A -1 17.798 -0.280 6.460 1.00 0.00 C ATOM 10 C HIS A -1 16.353 -0.751 6.659 1.00 0.00 C ATOM 11 O HIS A -1 15.579 -0.107 7.372 1.00 0.00 O ATOM 12 CB HIS A -1 18.738 -1.042 7.405 1.00 0.00 C ATOM 13 CG HIS A -1 20.183 -0.630 7.357 1.00 0.00 C ATOM 14 ND1 HIS A -1 21.163 -1.244 6.612 1.00 0.00 N ATOM 15 CD2 HIS A -1 20.786 0.313 8.147 1.00 0.00 C ATOM 16 CE1 HIS A -1 22.335 -0.678 6.934 1.00 0.00 C ATOM 17 NE2 HIS A -1 22.150 0.296 7.844 1.00 0.00 N ATOM 0 H HIS A -1 18.222 1.626 5.747 1.00 0.00 H new ATOM 0 HA HIS A -1 18.126 -0.510 5.446 1.00 0.00 H new ATOM 0 HB2 HIS A -1 18.377 -0.917 8.426 1.00 0.00 H new ATOM 0 HB3 HIS A -1 18.674 -2.105 7.172 1.00 0.00 H new ATOM 0 HD2 HIS A -1 20.298 0.951 8.869 1.00 0.00 H new ATOM 0 HE1 HIS A -1 23.292 -0.963 6.522 1.00 0.00 H new ATOM 0 HE2 HIS A -1 22.868 0.905 8.237 1.00 0.00 H new ATOM 25 N MET A 1 15.975 -1.885 6.053 1.00 0.00 N ATOM 26 CA MET A 1 14.687 -2.514 6.328 1.00 0.00 C ATOM 27 C MET A 1 14.683 -3.979 5.906 1.00 0.00 C ATOM 28 O MET A 1 15.132 -4.267 4.803 1.00 0.00 O ATOM 29 CB MET A 1 13.553 -1.795 5.592 1.00 0.00 C ATOM 30 CG MET A 1 12.194 -2.299 6.078 1.00 0.00 C ATOM 31 SD MET A 1 11.930 -2.122 7.859 1.00 0.00 S ATOM 32 CE MET A 1 10.877 -3.551 8.203 1.00 0.00 C ATOM 0 H MET A 1 16.547 -2.381 5.370 1.00 0.00 H new ATOM 0 HA MET A 1 14.529 -2.445 7.404 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.629 -0.720 5.757 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.646 -1.960 4.519 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.409 -1.758 5.550 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.092 -3.351 5.810 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.402 -3.427 9.176 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.110 -3.631 7.433 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.483 -4.457 8.207 1.00 0.00 H new ATOM 42 N ILE A 2 14.122 -4.877 6.730 1.00 0.00 N ATOM 43 CA ILE A 2 14.177 -6.318 6.494 1.00 0.00 C ATOM 44 C ILE A 2 12.908 -7.036 6.993 1.00 0.00 C ATOM 45 O ILE A 2 12.975 -7.993 7.753 1.00 0.00 O ATOM 46 CB ILE A 2 15.411 -6.945 7.161 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.757 -6.205 7.038 1.00 0.00 C ATOM 48 CG2 ILE A 2 15.527 -8.392 6.646 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.813 -6.911 7.896 1.00 0.00 C ATOM 0 H ILE A 2 13.618 -4.619 7.578 1.00 0.00 H new ATOM 0 HA ILE A 2 14.245 -6.450 5.414 1.00 0.00 H new ATOM 0 HB ILE A 2 15.227 -6.880 8.233 1.00 0.00 H new ATOM 0 HG12 ILE A 2 17.077 -6.182 5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.645 -5.170 7.360 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.395 -8.871 7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 2 14.627 -8.946 6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.642 -8.384 5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.764 -6.386 7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.494 -6.911 8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.933 -7.939 7.553 1.00 0.00 H new ATOM 61 N ASN A 3 11.739 -6.501 6.682 1.00 0.00 N ATOM 62 CA ASN A 3 10.420 -7.161 6.740 1.00 0.00 C ATOM 63 C ASN A 3 9.361 -6.099 6.445 1.00 0.00 C ATOM 64 O ASN A 3 8.384 -5.946 7.183 1.00 0.00 O ATOM 65 CB ASN A 3 10.149 -7.910 8.073 1.00 0.00 C ATOM 66 CG ASN A 3 8.756 -8.521 8.194 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.288 -9.219 7.305 1.00 0.00 O ATOM 68 ND2 ASN A 3 8.070 -8.353 9.314 1.00 0.00 N ATOM 0 H ASN A 3 11.668 -5.535 6.361 1.00 0.00 H new ATOM 0 HA ASN A 3 10.389 -7.951 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.889 -8.703 8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.299 -7.216 8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.162 -8.803 9.428 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.450 -7.773 10.063 1.00 0.00 H new ATOM 75 N MET A 4 9.608 -5.235 5.455 1.00 0.00 N ATOM 76 CA MET A 4 8.596 -4.244 5.090 1.00 0.00 C ATOM 77 C MET A 4 7.549 -4.932 4.231 1.00 0.00 C ATOM 78 O MET A 4 7.854 -5.827 3.430 1.00 0.00 O ATOM 79 CB MET A 4 9.181 -3.059 4.325 1.00 0.00 C ATOM 80 CG MET A 4 8.649 -1.688 4.748 1.00 0.00 C ATOM 81 SD MET A 4 8.833 -1.170 6.473 1.00 0.00 S ATOM 82 CE MET A 4 8.915 0.640 6.266 1.00 0.00 C ATOM 0 H MET A 4 10.469 -5.201 4.910 1.00 0.00 H new ATOM 0 HA MET A 4 8.163 -3.846 6.008 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.264 -3.065 4.449 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.981 -3.197 3.263 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.138 -0.939 4.125 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.586 -1.659 4.507 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.711 1.042 6.892 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.119 0.878 5.222 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.964 1.083 6.560 1.00 0.00 H new ATOM 92 N LYS A 5 6.316 -4.463 4.385 1.00 0.00 N ATOM 93 CA LYS A 5 5.184 -4.893 3.595 1.00 0.00 C ATOM 94 C LYS A 5 4.267 -3.700 3.407 1.00 0.00 C ATOM 95 O LYS A 5 3.773 -3.180 4.402 1.00 0.00 O ATOM 96 CB LYS A 5 4.450 -6.033 4.311 1.00 0.00 C ATOM 97 CG LYS A 5 5.009 -7.414 3.995 1.00 0.00 C ATOM 98 CD LYS A 5 4.230 -8.505 4.740 1.00 0.00 C ATOM 99 CE LYS A 5 5.164 -9.694 4.937 1.00 0.00 C ATOM 100 NZ LYS A 5 5.758 -9.738 6.286 1.00 0.00 N ATOM 0 H LYS A 5 6.077 -3.757 5.081 1.00 0.00 H new ATOM 0 HA LYS A 5 5.512 -5.265 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.502 -5.867 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.396 -6.005 4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.958 -7.594 2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.061 -7.457 4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.877 -8.133 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.349 -8.802 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.612 -10.617 4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.962 -9.650 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.773 -9.520 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.289 -9.038 6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.632 -10.688 6.690 1.00 0.00 H new ATOM 114 N VAL A 6 4.005 -3.287 2.171 1.00 0.00 N ATOM 115 CA VAL A 6 3.016 -2.281 1.806 1.00 0.00 C ATOM 116 C VAL A 6 2.007 -2.884 0.834 1.00 0.00 C ATOM 117 O VAL A 6 2.335 -3.830 0.107 1.00 0.00 O ATOM 118 CB VAL A 6 3.730 -1.041 1.240 1.00 0.00 C ATOM 119 CG1 VAL A 6 2.824 -0.017 0.551 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.435 -0.317 2.369 1.00 0.00 C ATOM 0 H VAL A 6 4.499 -3.662 1.361 1.00 0.00 H new ATOM 0 HA VAL A 6 2.457 -1.956 2.683 1.00 0.00 H new ATOM 0 HB VAL A 6 4.407 -1.432 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.426 0.816 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.315 -0.489 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.085 0.352 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.943 0.563 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.704 -0.010 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.166 -0.983 2.828 1.00 0.00 H new ATOM 130 N ALA A 7 0.776 -2.359 0.812 1.00 0.00 N ATOM 131 CA ALA A 7 -0.192 -2.552 -0.269 1.00 0.00 C ATOM 132 C ALA A 7 -0.220 -1.283 -1.123 1.00 0.00 C ATOM 133 O ALA A 7 -0.532 -0.219 -0.586 1.00 0.00 O ATOM 134 CB ALA A 7 -1.588 -2.829 0.311 1.00 0.00 C ATOM 0 H ALA A 7 0.418 -1.773 1.567 1.00 0.00 H new ATOM 0 HA ALA A 7 0.098 -3.407 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.299 -2.971 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.555 -3.729 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.902 -1.984 0.924 1.00 0.00 H new ATOM 140 N ILE A 8 0.085 -1.376 -2.420 1.00 0.00 N ATOM 141 CA ILE A 8 -0.037 -0.245 -3.337 1.00 0.00 C ATOM 142 C ILE A 8 -1.269 -0.523 -4.198 1.00 0.00 C ATOM 143 O ILE A 8 -1.324 -1.562 -4.861 1.00 0.00 O ATOM 144 CB ILE A 8 1.287 -0.065 -4.117 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.410 0.206 -3.082 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.178 1.087 -5.126 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.725 0.774 -3.618 1.00 0.00 C ATOM 0 H ILE A 8 0.421 -2.233 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.189 0.711 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 8 1.513 -0.965 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.022 0.898 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.630 -0.729 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.122 1.193 -5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.380 0.874 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.955 2.014 -4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.423 0.916 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.154 0.079 -4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.537 1.732 -4.103 1.00 0.00 H new ATOM 159 N SER A 9 -2.278 0.353 -4.136 1.00 0.00 N ATOM 160 CA SER A 9 -3.439 0.314 -5.015 1.00 0.00 C ATOM 161 C SER A 9 -2.996 0.538 -6.462 1.00 0.00 C ATOM 162 O SER A 9 -2.693 1.671 -6.841 1.00 0.00 O ATOM 163 CB SER A 9 -4.471 1.370 -4.573 1.00 0.00 C ATOM 164 OG SER A 9 -3.904 2.533 -3.984 1.00 0.00 O ATOM 0 H SER A 9 -2.306 1.118 -3.462 1.00 0.00 H new ATOM 0 HA SER A 9 -3.914 -0.665 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.062 1.667 -5.439 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.157 0.914 -3.860 1.00 0.00 H new ATOM 0 HG SER A 9 -4.597 3.218 -3.879 1.00 0.00 H new ATOM 170 N MET A 10 -2.975 -0.513 -7.278 1.00 0.00 N ATOM 171 CA MET A 10 -2.626 -0.435 -8.689 1.00 0.00 C ATOM 172 C MET A 10 -3.857 -0.705 -9.545 1.00 0.00 C ATOM 173 O MET A 10 -4.815 -1.360 -9.116 1.00 0.00 O ATOM 174 CB MET A 10 -1.523 -1.445 -9.026 1.00 0.00 C ATOM 175 CG MET A 10 -0.188 -1.181 -8.330 1.00 0.00 C ATOM 176 SD MET A 10 0.716 0.290 -8.883 1.00 0.00 S ATOM 177 CE MET A 10 1.298 -0.303 -10.493 1.00 0.00 C ATOM 0 H MET A 10 -3.204 -1.458 -6.969 1.00 0.00 H new ATOM 0 HA MET A 10 -2.256 0.568 -8.901 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.868 -2.443 -8.757 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.363 -1.443 -10.104 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.370 -1.090 -7.259 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.452 -2.052 -8.472 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.818 0.503 -11.011 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.980 -1.141 -10.347 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.446 -0.628 -11.090 1.00 0.00 H new ATOM 187 N ASP A 11 -3.798 -0.183 -10.767 1.00 0.00 N ATOM 188 CA ASP A 11 -4.799 -0.318 -11.820 1.00 0.00 C ATOM 189 C ASP A 11 -4.391 -1.510 -12.689 1.00 0.00 C ATOM 190 O ASP A 11 -4.875 -2.635 -12.561 1.00 0.00 O ATOM 191 CB ASP A 11 -4.791 1.004 -12.621 1.00 0.00 C ATOM 192 CG ASP A 11 -5.820 1.071 -13.749 1.00 0.00 C ATOM 193 OD1 ASP A 11 -6.739 0.236 -13.843 1.00 0.00 O ATOM 194 OD2 ASP A 11 -5.678 2.009 -14.577 1.00 0.00 O ATOM 0 H ASP A 11 -3.002 0.380 -11.066 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.804 -0.495 -11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.970 1.831 -11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.797 1.151 -13.044 1.00 0.00 H new ATOM 199 N VAL A 12 -3.389 -1.294 -13.528 1.00 0.00 N ATOM 200 CA VAL A 12 -2.798 -2.313 -14.367 1.00 0.00 C ATOM 201 C VAL A 12 -1.312 -2.036 -14.316 1.00 0.00 C ATOM 202 O VAL A 12 -0.543 -2.899 -13.894 1.00 0.00 O ATOM 203 CB VAL A 12 -3.379 -2.236 -15.792 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.761 -3.291 -16.715 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.897 -2.437 -15.781 1.00 0.00 C ATOM 0 H VAL A 12 -2.956 -0.378 -13.643 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.011 -3.328 -14.030 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.138 -1.242 -16.169 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.197 -3.204 -17.710 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.684 -3.135 -16.776 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.962 -4.286 -16.317 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.279 -2.378 -16.800 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.131 -3.416 -15.362 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.362 -1.661 -15.173 1.00 0.00 H new ATOM 215 N ASP A 13 -0.918 -0.816 -14.690 1.00 0.00 N ATOM 216 CA ASP A 13 0.462 -0.569 -15.084 1.00 0.00 C ATOM 217 C ASP A 13 1.049 0.679 -14.413 1.00 0.00 C ATOM 218 O ASP A 13 2.199 1.029 -14.658 1.00 0.00 O ATOM 219 CB ASP A 13 0.481 -0.498 -16.624 1.00 0.00 C ATOM 220 CG ASP A 13 1.662 -1.207 -17.289 1.00 0.00 C ATOM 221 OD1 ASP A 13 1.758 -2.456 -17.191 1.00 0.00 O ATOM 222 OD2 ASP A 13 2.356 -0.557 -18.094 1.00 0.00 O ATOM 0 H ASP A 13 -1.527 0.001 -14.727 1.00 0.00 H new ATOM 0 HA ASP A 13 1.109 -1.377 -14.743 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.444 -0.931 -17.004 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.490 0.550 -16.924 1.00 0.00 H new ATOM 227 N LYS A 14 0.267 1.352 -13.559 1.00 0.00 N ATOM 228 CA LYS A 14 0.640 2.507 -12.735 1.00 0.00 C ATOM 229 C LYS A 14 -0.309 2.578 -11.542 1.00 0.00 C ATOM 230 O LYS A 14 -1.277 1.805 -11.489 1.00 0.00 O ATOM 231 CB LYS A 14 0.593 3.814 -13.551 1.00 0.00 C ATOM 232 CG LYS A 14 -0.734 4.039 -14.307 1.00 0.00 C ATOM 233 CD LYS A 14 -0.567 4.904 -15.565 1.00 0.00 C ATOM 234 CE LYS A 14 0.254 4.145 -16.624 1.00 0.00 C ATOM 235 NZ LYS A 14 0.355 4.873 -17.905 1.00 0.00 N ATOM 0 H LYS A 14 -0.707 1.086 -13.417 1.00 0.00 H new ATOM 0 HA LYS A 14 1.665 2.386 -12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.763 4.655 -12.879 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.412 3.810 -14.270 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.153 3.073 -14.589 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.451 4.515 -13.638 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.545 5.164 -15.970 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.069 5.839 -15.309 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.256 3.962 -16.236 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.203 3.171 -16.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.918 4.315 -18.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.598 5.026 -18.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.816 5.792 -17.747 1.00 0.00 H new ATOM 249 N ILE A 15 -0.040 3.497 -10.610 1.00 0.00 N ATOM 250 CA ILE A 15 -0.893 3.664 -9.422 1.00 0.00 C ATOM 251 C ILE A 15 -2.364 3.936 -9.824 1.00 0.00 C ATOM 252 O ILE A 15 -2.628 4.689 -10.769 1.00 0.00 O ATOM 253 CB ILE A 15 -0.284 4.766 -8.531 1.00 0.00 C ATOM 254 CG1 ILE A 15 1.127 4.368 -8.034 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.158 5.101 -7.311 1.00 0.00 C ATOM 256 CD1 ILE A 15 2.012 5.582 -7.745 1.00 0.00 C ATOM 0 H ILE A 15 0.755 4.134 -10.651 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.922 2.742 -8.841 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.223 5.652 -9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.034 3.767 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.609 3.742 -8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.677 5.883 -6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.135 5.449 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.282 4.209 -6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.990 5.246 -7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.131 6.170 -8.655 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.547 6.196 -6.974 1.00 0.00 H new ATOM 268 N SER A 16 -3.324 3.331 -9.109 1.00 0.00 N ATOM 269 CA SER A 16 -4.769 3.502 -9.312 1.00 0.00 C ATOM 270 C SER A 16 -5.283 4.767 -8.617 1.00 0.00 C ATOM 271 O SER A 16 -4.620 5.327 -7.741 1.00 0.00 O ATOM 272 CB SER A 16 -5.537 2.291 -8.763 1.00 0.00 C ATOM 273 OG SER A 16 -6.435 1.785 -9.743 1.00 0.00 O ATOM 0 H SER A 16 -3.108 2.687 -8.348 1.00 0.00 H new ATOM 0 HA SER A 16 -4.936 3.592 -10.385 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.835 1.511 -8.467 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.090 2.578 -7.869 1.00 0.00 H new ATOM 0 HG SER A 16 -7.357 1.972 -9.469 1.00 0.00 H new ATOM 279 N ASN A 17 -6.479 5.225 -8.990 1.00 0.00 N ATOM 280 CA ASN A 17 -6.951 6.554 -8.631 1.00 0.00 C ATOM 281 C ASN A 17 -7.415 6.717 -7.178 1.00 0.00 C ATOM 282 O ASN A 17 -7.480 7.851 -6.714 1.00 0.00 O ATOM 283 CB ASN A 17 -8.061 6.996 -9.589 1.00 0.00 C ATOM 284 CG ASN A 17 -8.035 8.508 -9.725 1.00 0.00 C ATOM 285 OD1 ASN A 17 -7.028 9.064 -10.161 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.107 9.207 -9.391 1.00 0.00 N ATOM 0 H ASN A 17 -7.141 4.685 -9.547 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.077 7.199 -8.724 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.922 6.529 -10.564 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.031 6.670 -9.215 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.106 10.222 -9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.934 8.731 -9.031 1.00 0.00 H new ATOM 293 N SER A 18 -7.689 5.641 -6.440 1.00 0.00 N ATOM 294 CA SER A 18 -7.944 5.611 -4.996 1.00 0.00 C ATOM 295 C SER A 18 -7.599 4.204 -4.501 1.00 0.00 C ATOM 296 O SER A 18 -7.347 3.296 -5.305 1.00 0.00 O ATOM 297 CB SER A 18 -9.360 6.102 -4.624 1.00 0.00 C ATOM 298 OG SER A 18 -10.285 6.013 -5.692 1.00 0.00 O ATOM 0 H SER A 18 -7.742 4.712 -6.857 1.00 0.00 H new ATOM 0 HA SER A 18 -7.306 6.327 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.730 5.516 -3.783 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.301 7.138 -4.290 1.00 0.00 H new ATOM 0 HG SER A 18 -11.161 6.336 -5.394 1.00 0.00 H new ATOM 304 N PHE A 19 -7.616 4.002 -3.180 1.00 0.00 N ATOM 305 CA PHE A 19 -7.385 2.715 -2.544 1.00 0.00 C ATOM 306 C PHE A 19 -8.439 1.737 -3.025 1.00 0.00 C ATOM 307 O PHE A 19 -8.135 0.601 -3.376 1.00 0.00 O ATOM 308 CB PHE A 19 -7.498 2.841 -1.013 1.00 0.00 C ATOM 309 CG PHE A 19 -7.484 1.493 -0.313 1.00 0.00 C ATOM 310 CD1 PHE A 19 -6.267 0.823 -0.099 1.00 0.00 C ATOM 311 CD2 PHE A 19 -8.693 0.853 0.020 1.00 0.00 C ATOM 312 CE1 PHE A 19 -6.257 -0.485 0.413 1.00 0.00 C ATOM 313 CE2 PHE A 19 -8.685 -0.465 0.509 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.470 -1.142 0.693 1.00 0.00 C ATOM 0 H PHE A 19 -7.796 4.752 -2.512 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.385 2.368 -2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.673 3.448 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.419 3.367 -0.762 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.334 1.317 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.630 1.376 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.318 -0.987 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.617 -0.958 0.744 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.465 -2.162 1.048 1.00 0.00 H new ATOM 324 N GLU A 20 -9.705 2.158 -2.941 1.00 0.00 N ATOM 325 CA GLU A 20 -10.842 1.258 -3.073 1.00 0.00 C ATOM 326 C GLU A 20 -11.001 0.879 -4.552 1.00 0.00 C ATOM 327 O GLU A 20 -11.163 -0.289 -4.892 1.00 0.00 O ATOM 328 CB GLU A 20 -12.090 1.972 -2.527 1.00 0.00 C ATOM 329 CG GLU A 20 -13.225 0.974 -2.368 1.00 0.00 C ATOM 330 CD GLU A 20 -14.579 1.636 -2.204 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.193 2.050 -3.203 1.00 0.00 O ATOM 332 OE2 GLU A 20 -15.057 1.759 -1.057 1.00 0.00 O ATOM 0 H GLU A 20 -9.964 3.131 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.695 0.340 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.864 2.436 -1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.389 2.772 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.250 0.319 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.028 0.343 -1.501 1.00 0.00 H new ATOM 339 N ASP A 21 -10.891 1.897 -5.410 1.00 0.00 N ATOM 340 CA ASP A 21 -10.989 1.874 -6.866 1.00 0.00 C ATOM 341 C ASP A 21 -9.849 1.116 -7.545 1.00 0.00 C ATOM 342 O ASP A 21 -9.763 1.119 -8.774 1.00 0.00 O ATOM 343 CB ASP A 21 -10.989 3.343 -7.299 1.00 0.00 C ATOM 344 CG ASP A 21 -11.358 3.578 -8.750 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.387 3.032 -9.201 1.00 0.00 O ATOM 346 OD2 ASP A 21 -10.697 4.421 -9.400 1.00 0.00 O ATOM 0 H ASP A 21 -10.715 2.842 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.892 1.342 -7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.687 3.893 -6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.998 3.760 -7.118 1.00 0.00 H new ATOM 351 N CYS A 22 -8.952 0.495 -6.774 1.00 0.00 N ATOM 352 CA CYS A 22 -7.888 -0.302 -7.339 1.00 0.00 C ATOM 353 C CYS A 22 -8.446 -1.551 -8.006 1.00 0.00 C ATOM 354 O CYS A 22 -9.589 -1.973 -7.798 1.00 0.00 O ATOM 355 CB CYS A 22 -6.808 -0.623 -6.298 1.00 0.00 C ATOM 356 SG CYS A 22 -7.375 -1.847 -5.091 1.00 0.00 S ATOM 0 H CYS A 22 -8.952 0.536 -5.755 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.397 0.286 -8.115 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.917 -0.997 -6.803 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.520 0.292 -5.780 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.717 -1.698 -3.980 1.00 0.00 H new ATOM 362 N LYS A 23 -7.582 -2.170 -8.789 1.00 0.00 N ATOM 363 CA LYS A 23 -7.811 -3.420 -9.488 1.00 0.00 C ATOM 364 C LYS A 23 -7.023 -4.518 -8.793 1.00 0.00 C ATOM 365 O LYS A 23 -7.430 -5.681 -8.812 1.00 0.00 O ATOM 366 CB LYS A 23 -7.279 -3.227 -10.904 1.00 0.00 C ATOM 367 CG LYS A 23 -8.252 -2.606 -11.903 1.00 0.00 C ATOM 368 CD LYS A 23 -8.786 -1.206 -11.570 1.00 0.00 C ATOM 369 CE LYS A 23 -9.864 -0.820 -12.585 1.00 0.00 C ATOM 370 NZ LYS A 23 -11.087 -1.633 -12.415 1.00 0.00 N ATOM 0 H LYS A 23 -6.650 -1.793 -8.964 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.866 -3.694 -9.499 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.389 -2.599 -10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.964 -4.197 -11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.759 -2.559 -12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.104 -3.278 -12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.199 -1.192 -10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.973 -0.480 -11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.110 0.236 -12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.477 -0.951 -13.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.888 -1.155 -12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.946 -2.567 -12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.288 -1.750 -11.401 1.00 0.00 H new ATOM 384 N TYR A 24 -5.884 -4.179 -8.195 1.00 0.00 N ATOM 385 CA TYR A 24 -5.129 -5.088 -7.369 1.00 0.00 C ATOM 386 C TYR A 24 -4.279 -4.303 -6.381 1.00 0.00 C ATOM 387 O TYR A 24 -4.027 -3.107 -6.538 1.00 0.00 O ATOM 388 CB TYR A 24 -4.280 -6.012 -8.256 1.00 0.00 C ATOM 389 CG TYR A 24 -3.063 -5.408 -8.914 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.197 -4.668 -10.102 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.786 -5.665 -8.384 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.047 -4.156 -10.736 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.647 -5.174 -9.018 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.760 -4.395 -10.192 1.00 0.00 C ATOM 395 OH TYR A 24 0.370 -3.950 -10.810 1.00 0.00 O ATOM 0 H TYR A 24 -5.463 -3.253 -8.278 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.807 -5.717 -6.791 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.952 -6.856 -7.649 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.923 -6.414 -9.039 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.175 -4.493 -10.526 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.688 -6.247 -7.479 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.147 -3.578 -11.643 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.329 -5.390 -8.610 1.00 0.00 H new ATOM 0 HH TYR A 24 0.170 -3.129 -11.306 1.00 0.00 H new ATOM 405 N PHE A 25 -3.794 -5.022 -5.382 1.00 0.00 N ATOM 406 CA PHE A 25 -2.860 -4.572 -4.385 1.00 0.00 C ATOM 407 C PHE A 25 -1.523 -5.186 -4.757 1.00 0.00 C ATOM 408 O PHE A 25 -1.383 -6.412 -4.732 1.00 0.00 O ATOM 409 CB PHE A 25 -3.342 -5.020 -3.005 1.00 0.00 C ATOM 410 CG PHE A 25 -4.712 -4.479 -2.664 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.876 -3.100 -2.452 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.825 -5.342 -2.609 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.152 -2.591 -2.158 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.096 -4.837 -2.281 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.256 -3.457 -2.063 1.00 0.00 C ATOM 0 H PHE A 25 -4.065 -5.996 -5.245 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.770 -3.486 -4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.366 -6.109 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.627 -4.691 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.027 -2.436 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.701 -6.394 -2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.286 -1.530 -2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.942 -5.503 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.231 -3.060 -1.822 1.00 0.00 H new ATOM 425 N LEU A 26 -0.565 -4.357 -5.160 1.00 0.00 N ATOM 426 CA LEU A 26 0.818 -4.772 -5.294 1.00 0.00 C ATOM 427 C LEU A 26 1.380 -4.844 -3.870 1.00 0.00 C ATOM 428 O LEU A 26 1.445 -3.836 -3.153 1.00 0.00 O ATOM 429 CB LEU A 26 1.600 -3.808 -6.201 1.00 0.00 C ATOM 430 CG LEU A 26 2.913 -4.358 -6.788 1.00 0.00 C ATOM 431 CD1 LEU A 26 3.836 -4.997 -5.769 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.744 -5.412 -7.884 1.00 0.00 C ATOM 0 H LEU A 26 -0.730 -3.380 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 26 0.906 -5.744 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.953 -3.509 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.828 -2.907 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 26 3.343 -3.444 -7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.736 -5.357 -6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.110 -4.260 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.327 -5.834 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.725 -5.736 -8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.200 -6.268 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.187 -4.984 -8.717 1.00 0.00 H new ATOM 444 N ILE A 27 1.719 -6.051 -3.433 1.00 0.00 N ATOM 445 CA ILE A 27 2.319 -6.376 -2.161 1.00 0.00 C ATOM 446 C ILE A 27 3.813 -6.152 -2.373 1.00 0.00 C ATOM 447 O ILE A 27 4.516 -6.996 -2.925 1.00 0.00 O ATOM 448 CB ILE A 27 1.935 -7.819 -1.732 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.483 -8.195 -2.121 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.119 -8.065 -0.239 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.607 -7.237 -1.605 1.00 0.00 C ATOM 0 H ILE A 27 1.568 -6.882 -4.005 1.00 0.00 H new ATOM 0 HA ILE A 27 1.968 -5.758 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 27 2.627 -8.457 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.417 -8.242 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.271 -9.196 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.834 -9.090 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.163 -7.907 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.491 -7.374 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.585 -7.589 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.578 -7.205 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.430 -6.237 -2.002 1.00 0.00 H new ATOM 463 N VAL A 28 4.295 -4.960 -2.040 1.00 0.00 N ATOM 464 CA VAL A 28 5.710 -4.629 -2.124 1.00 0.00 C ATOM 465 C VAL A 28 6.382 -5.327 -0.942 1.00 0.00 C ATOM 466 O VAL A 28 6.221 -4.878 0.197 1.00 0.00 O ATOM 467 CB VAL A 28 5.900 -3.100 -2.097 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.367 -2.712 -2.290 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.103 -2.401 -3.199 1.00 0.00 C ATOM 0 H VAL A 28 3.712 -4.194 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 28 6.160 -4.968 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 28 5.544 -2.781 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.463 -1.626 -2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.967 -3.147 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.719 -3.085 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.268 -1.325 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.431 -2.766 -4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.042 -2.613 -3.071 1.00 0.00 H new ATOM 479 N ARG A 29 7.047 -6.459 -1.162 1.00 0.00 N ATOM 480 CA ARG A 29 7.804 -7.154 -0.123 1.00 0.00 C ATOM 481 C ARG A 29 9.237 -6.632 -0.185 1.00 0.00 C ATOM 482 O ARG A 29 9.848 -6.674 -1.257 1.00 0.00 O ATOM 483 CB ARG A 29 7.696 -8.673 -0.362 1.00 0.00 C ATOM 484 CG ARG A 29 7.794 -9.485 0.939 1.00 0.00 C ATOM 485 CD ARG A 29 6.970 -10.772 0.820 1.00 0.00 C ATOM 486 NE ARG A 29 6.906 -11.495 2.100 1.00 0.00 N ATOM 487 CZ ARG A 29 5.839 -12.128 2.606 1.00 0.00 C ATOM 488 NH1 ARG A 29 4.701 -12.261 1.938 1.00 0.00 N ATOM 489 NH2 ARG A 29 5.906 -12.628 3.825 1.00 0.00 N ATOM 0 H ARG A 29 7.076 -6.922 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 29 7.416 -6.969 0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.748 -8.893 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.488 -8.987 -1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.836 -9.729 1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.433 -8.889 1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.961 -10.529 0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.409 -11.417 0.059 1.00 0.00 H new ATOM 0 HE ARG A 29 7.760 -11.516 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.613 -11.873 0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.914 -12.751 2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.763 -12.530 4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.101 -13.112 4.223 1.00 0.00 H new ATOM 503 N ILE A 30 9.735 -6.069 0.918 1.00 0.00 N ATOM 504 CA ILE A 30 11.066 -5.471 1.008 1.00 0.00 C ATOM 505 C ILE A 30 11.776 -6.129 2.176 1.00 0.00 C ATOM 506 O ILE A 30 11.373 -5.983 3.337 1.00 0.00 O ATOM 507 CB ILE A 30 11.006 -3.932 1.148 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.591 -3.225 -0.156 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.326 -3.324 1.661 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.944 -1.854 0.104 1.00 0.00 C ATOM 0 H ILE A 30 9.212 -6.016 1.792 1.00 0.00 H new ATOM 0 HA ILE A 30 11.621 -5.647 0.087 1.00 0.00 H new ATOM 0 HB ILE A 30 10.232 -3.757 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.467 -3.096 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.891 -3.857 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.222 -2.242 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.560 -3.737 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.131 -3.562 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.669 -1.395 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.052 -1.983 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.652 -1.211 0.626 1.00 0.00 H new ATOM 522 N ASP A 31 12.846 -6.838 1.833 1.00 0.00 N ATOM 523 CA ASP A 31 13.551 -7.733 2.735 1.00 0.00 C ATOM 524 C ASP A 31 15.053 -7.407 2.788 1.00 0.00 C ATOM 525 O ASP A 31 15.773 -8.038 3.557 1.00 0.00 O ATOM 526 CB ASP A 31 13.275 -9.220 2.422 1.00 0.00 C ATOM 527 CG ASP A 31 11.830 -9.616 2.063 1.00 0.00 C ATOM 528 OD1 ASP A 31 10.884 -9.181 2.751 1.00 0.00 O ATOM 529 OD2 ASP A 31 11.654 -10.385 1.080 1.00 0.00 O ATOM 0 H ASP A 31 13.254 -6.804 0.899 1.00 0.00 H new ATOM 0 HA ASP A 31 13.154 -7.562 3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.920 -9.515 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.579 -9.808 3.288 1.00 0.00 H new ATOM 534 N ASP A 32 15.531 -6.403 2.034 1.00 0.00 N ATOM 535 CA ASP A 32 16.781 -5.680 2.339 1.00 0.00 C ATOM 536 C ASP A 32 16.770 -4.295 1.687 1.00 0.00 C ATOM 537 O ASP A 32 17.549 -3.990 0.789 1.00 0.00 O ATOM 538 CB ASP A 32 18.056 -6.464 1.962 1.00 0.00 C ATOM 539 CG ASP A 32 19.314 -5.899 2.643 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.186 -5.076 3.584 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.436 -6.356 2.333 1.00 0.00 O ATOM 0 H ASP A 32 15.061 -6.068 1.193 1.00 0.00 H new ATOM 0 HA ASP A 32 16.816 -5.565 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.933 -7.510 2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.189 -6.438 0.880 1.00 0.00 H new ATOM 546 N ASN A 33 15.800 -3.466 2.080 1.00 0.00 N ATOM 547 CA ASN A 33 15.561 -2.103 1.574 1.00 0.00 C ATOM 548 C ASN A 33 15.306 -2.015 0.051 1.00 0.00 C ATOM 549 O ASN A 33 15.132 -0.914 -0.473 1.00 0.00 O ATOM 550 CB ASN A 33 16.681 -1.159 2.062 1.00 0.00 C ATOM 551 CG ASN A 33 16.224 0.224 2.488 1.00 0.00 C ATOM 552 OD1 ASN A 33 16.503 1.219 1.827 1.00 0.00 O ATOM 553 ND2 ASN A 33 15.556 0.298 3.634 1.00 0.00 N ATOM 0 H ASN A 33 15.124 -3.736 2.795 1.00 0.00 H new ATOM 0 HA ASN A 33 14.615 -1.767 1.999 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.190 -1.630 2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.416 -1.051 1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.257 1.205 3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.342 -0.552 4.156 1.00 0.00 H new ATOM 560 N GLU A 34 15.182 -3.149 -0.644 1.00 0.00 N ATOM 561 CA GLU A 34 14.836 -3.309 -2.058 1.00 0.00 C ATOM 562 C GLU A 34 13.649 -4.256 -2.184 1.00 0.00 C ATOM 563 O GLU A 34 13.319 -4.973 -1.232 1.00 0.00 O ATOM 564 CB GLU A 34 16.057 -3.816 -2.849 1.00 0.00 C ATOM 565 CG GLU A 34 16.423 -5.270 -2.503 1.00 0.00 C ATOM 566 CD GLU A 34 17.838 -5.640 -2.942 1.00 0.00 C ATOM 567 OE1 GLU A 34 18.237 -5.353 -4.089 1.00 0.00 O ATOM 568 OE2 GLU A 34 18.592 -6.216 -2.121 1.00 0.00 O ATOM 0 H GLU A 34 15.334 -4.052 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 34 14.550 -2.346 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.850 -3.741 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.912 -3.171 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.330 -5.418 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.711 -5.943 -2.980 1.00 0.00 H new ATOM 575 N VAL A 35 12.989 -4.252 -3.341 1.00 0.00 N ATOM 576 CA VAL A 35 11.706 -4.911 -3.528 1.00 0.00 C ATOM 577 C VAL A 35 11.971 -6.359 -3.932 1.00 0.00 C ATOM 578 O VAL A 35 11.842 -6.756 -5.094 1.00 0.00 O ATOM 579 CB VAL A 35 10.834 -4.110 -4.507 1.00 0.00 C ATOM 580 CG1 VAL A 35 9.431 -4.731 -4.553 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.693 -2.638 -4.082 1.00 0.00 C ATOM 0 H VAL A 35 13.336 -3.786 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 35 11.124 -4.942 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 35 11.318 -4.144 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.806 -4.168 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.502 -5.766 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.987 -4.701 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.069 -2.109 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.232 -2.587 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.678 -2.174 -4.046 1.00 0.00 H new ATOM 591 N LYS A 36 12.374 -7.149 -2.940 1.00 0.00 N ATOM 592 CA LYS A 36 12.884 -8.507 -3.082 1.00 0.00 C ATOM 593 C LYS A 36 11.890 -9.422 -3.782 1.00 0.00 C ATOM 594 O LYS A 36 12.318 -10.357 -4.455 1.00 0.00 O ATOM 595 CB LYS A 36 13.271 -9.051 -1.696 1.00 0.00 C ATOM 596 CG LYS A 36 14.461 -8.287 -1.089 1.00 0.00 C ATOM 597 CD LYS A 36 15.818 -8.730 -1.631 1.00 0.00 C ATOM 598 CE LYS A 36 16.391 -9.931 -0.867 1.00 0.00 C ATOM 599 NZ LYS A 36 17.710 -10.327 -1.397 1.00 0.00 N ATOM 0 H LYS A 36 12.352 -6.842 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 36 13.770 -8.480 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.414 -8.979 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.523 -10.108 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.333 -7.222 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.452 -8.419 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.718 -8.988 -2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.519 -7.897 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.482 -9.682 0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.701 -10.772 -0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.070 -11.141 -0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.617 -10.588 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.374 -9.531 -1.306 1.00 0.00 H new ATOM 613 N SER A 37 10.586 -9.186 -3.659 1.00 0.00 N ATOM 614 CA SER A 37 9.592 -9.777 -4.537 1.00 0.00 C ATOM 615 C SER A 37 8.364 -8.882 -4.561 1.00 0.00 C ATOM 616 O SER A 37 7.682 -8.696 -3.556 1.00 0.00 O ATOM 617 CB SER A 37 9.223 -11.183 -4.075 1.00 0.00 C ATOM 618 OG SER A 37 10.272 -12.094 -4.341 1.00 0.00 O ATOM 0 H SER A 37 10.192 -8.576 -2.943 1.00 0.00 H new ATOM 0 HA SER A 37 10.004 -9.861 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.006 -11.174 -3.007 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.315 -11.510 -4.582 1.00 0.00 H new ATOM 0 HG SER A 37 11.093 -11.598 -4.542 1.00 0.00 H new ATOM 624 N THR A 38 8.072 -8.313 -5.720 1.00 0.00 N ATOM 625 CA THR A 38 6.772 -7.755 -6.030 1.00 0.00 C ATOM 626 C THR A 38 5.740 -8.887 -6.028 1.00 0.00 C ATOM 627 O THR A 38 6.025 -10.010 -6.459 1.00 0.00 O ATOM 628 CB THR A 38 6.833 -7.001 -7.370 1.00 0.00 C ATOM 629 OG1 THR A 38 7.668 -7.641 -8.324 1.00 0.00 O ATOM 630 CG2 THR A 38 7.368 -5.583 -7.189 1.00 0.00 C ATOM 0 H THR A 38 8.745 -8.226 -6.482 1.00 0.00 H new ATOM 0 HA THR A 38 6.469 -7.027 -5.277 1.00 0.00 H new ATOM 0 HB THR A 38 5.805 -6.988 -7.733 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.670 -7.123 -9.156 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.398 -5.079 -8.155 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.715 -5.032 -6.512 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.373 -5.624 -6.770 1.00 0.00 H new ATOM 638 N LYS A 39 4.536 -8.624 -5.523 1.00 0.00 N ATOM 639 CA LYS A 39 3.451 -9.601 -5.412 1.00 0.00 C ATOM 640 C LYS A 39 2.129 -8.914 -5.689 1.00 0.00 C ATOM 641 O LYS A 39 2.024 -7.717 -5.536 1.00 0.00 O ATOM 642 CB LYS A 39 3.350 -10.096 -3.969 1.00 0.00 C ATOM 643 CG LYS A 39 3.702 -11.553 -3.786 1.00 0.00 C ATOM 644 CD LYS A 39 5.185 -11.638 -3.433 1.00 0.00 C ATOM 645 CE LYS A 39 5.756 -12.852 -4.156 1.00 0.00 C ATOM 646 NZ LYS A 39 5.409 -14.133 -3.499 1.00 0.00 N ATOM 0 H LYS A 39 4.280 -7.702 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 39 3.652 -10.413 -6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.009 -9.494 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.334 -9.932 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.096 -11.995 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.494 -12.113 -4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.705 -10.730 -3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.318 -11.735 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.387 -12.864 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.841 -12.759 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.824 -14.922 -4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.784 -14.138 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.375 -14.240 -3.471 1.00 0.00 H new ATOM 660 N VAL A 40 1.086 -9.652 -6.009 1.00 0.00 N ATOM 661 CA VAL A 40 -0.244 -9.211 -6.279 1.00 0.00 C ATOM 662 C VAL A 40 -1.398 -10.078 -5.794 1.00 0.00 C ATOM 663 O VAL A 40 -1.432 -11.291 -5.964 1.00 0.00 O ATOM 664 CB VAL A 40 -0.225 -8.610 -7.660 1.00 0.00 C ATOM 665 CG1 VAL A 40 0.610 -9.187 -8.768 1.00 0.00 C ATOM 666 CG2 VAL A 40 -1.653 -8.694 -8.257 1.00 0.00 C ATOM 0 H VAL A 40 1.168 -10.665 -6.091 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.554 -8.416 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 40 0.213 -7.641 -7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.471 -8.597 -9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.661 -9.167 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.305 -10.216 -8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.655 -8.262 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.964 -9.737 -8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.346 -8.142 -7.622 1.00 0.00 H new ATOM 676 N ILE A 41 -2.334 -9.376 -5.165 1.00 0.00 N ATOM 677 CA ILE A 41 -3.606 -9.823 -4.666 1.00 0.00 C ATOM 678 C ILE A 41 -4.601 -8.968 -5.436 1.00 0.00 C ATOM 679 O ILE A 41 -4.583 -7.747 -5.277 1.00 0.00 O ATOM 680 CB ILE A 41 -3.663 -9.577 -3.143 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.529 -10.309 -2.402 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.019 -10.022 -2.610 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.515 -10.064 -0.889 1.00 0.00 C ATOM 0 H ILE A 41 -2.196 -8.383 -4.979 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.805 -10.886 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.529 -8.510 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.620 -11.380 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.573 -9.994 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.062 -9.849 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.808 -9.452 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.159 -11.084 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.688 -10.613 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.392 -8.999 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.455 -10.406 -0.456 1.00 0.00 H new ATOM 695 N PHE A 42 -5.410 -9.560 -6.317 1.00 0.00 N ATOM 696 CA PHE A 42 -6.423 -8.784 -7.029 1.00 0.00 C ATOM 697 C PHE A 42 -7.462 -8.265 -6.031 1.00 0.00 C ATOM 698 O PHE A 42 -7.697 -8.877 -4.979 1.00 0.00 O ATOM 699 CB PHE A 42 -7.099 -9.632 -8.108 1.00 0.00 C ATOM 700 CG PHE A 42 -6.139 -10.146 -9.160 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.512 -9.239 -10.030 1.00 0.00 C ATOM 702 CD2 PHE A 42 -5.853 -11.519 -9.268 1.00 0.00 C ATOM 703 CE1 PHE A 42 -4.591 -9.685 -10.992 1.00 0.00 C ATOM 704 CE2 PHE A 42 -4.965 -11.970 -10.261 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.322 -11.058 -11.115 1.00 0.00 C ATOM 0 H PHE A 42 -5.385 -10.553 -6.550 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.940 -7.939 -7.520 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.596 -10.479 -7.635 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.874 -9.039 -8.593 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.741 -8.186 -9.958 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.313 -12.224 -8.591 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.092 -8.975 -11.635 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.775 -13.028 -10.368 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.625 -11.411 -11.861 1.00 0.00 H new ATOM 715 N ASN A 43 -8.076 -7.133 -6.369 1.00 0.00 N ATOM 716 CA ASN A 43 -9.123 -6.513 -5.573 1.00 0.00 C ATOM 717 C ASN A 43 -10.415 -7.307 -5.766 1.00 0.00 C ATOM 718 O ASN A 43 -11.202 -7.039 -6.671 1.00 0.00 O ATOM 719 CB ASN A 43 -9.268 -5.028 -5.932 1.00 0.00 C ATOM 720 CG ASN A 43 -10.212 -4.291 -4.984 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.440 -4.715 -3.850 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.714 -3.147 -5.414 1.00 0.00 N ATOM 0 H ASN A 43 -7.853 -6.615 -7.219 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.867 -6.539 -4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.287 -4.553 -5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.639 -4.938 -6.953 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.308 -2.589 -4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.507 -2.822 -6.359 1.00 0.00 H new ATOM 729 N ASP A 44 -10.570 -8.335 -4.939 1.00 0.00 N ATOM 730 CA ASP A 44 -11.738 -9.182 -4.754 1.00 0.00 C ATOM 731 C ASP A 44 -11.889 -9.327 -3.227 1.00 0.00 C ATOM 732 O ASP A 44 -11.025 -8.885 -2.455 1.00 0.00 O ATOM 733 CB ASP A 44 -11.541 -10.573 -5.401 1.00 0.00 C ATOM 734 CG ASP A 44 -11.616 -10.661 -6.930 1.00 0.00 C ATOM 735 OD1 ASP A 44 -12.731 -10.556 -7.500 1.00 0.00 O ATOM 736 OD2 ASP A 44 -10.579 -11.014 -7.544 1.00 0.00 O ATOM 0 H ASP A 44 -9.808 -8.621 -4.324 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.619 -8.747 -5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.568 -10.954 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.293 -11.245 -4.988 1.00 0.00 H new ATOM 741 N GLU A 45 -12.949 -9.977 -2.753 1.00 0.00 N ATOM 742 CA GLU A 45 -13.210 -10.229 -1.338 1.00 0.00 C ATOM 743 C GLU A 45 -12.113 -11.098 -0.708 1.00 0.00 C ATOM 744 O GLU A 45 -11.665 -10.817 0.408 1.00 0.00 O ATOM 745 CB GLU A 45 -14.611 -10.839 -1.178 1.00 0.00 C ATOM 746 CG GLU A 45 -14.914 -11.093 0.305 1.00 0.00 C ATOM 747 CD GLU A 45 -16.403 -11.206 0.646 1.00 0.00 C ATOM 748 OE1 GLU A 45 -17.199 -10.375 0.152 1.00 0.00 O ATOM 749 OE2 GLU A 45 -16.721 -11.942 1.608 1.00 0.00 O ATOM 0 H GLU A 45 -13.674 -10.355 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.188 -9.284 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.358 -10.166 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.674 -11.774 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.415 -12.012 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.481 -10.284 0.894 1.00 0.00 H new ATOM 756 N SER A 46 -11.604 -12.097 -1.439 1.00 0.00 N ATOM 757 CA SER A 46 -10.462 -12.900 -1.010 1.00 0.00 C ATOM 758 C SER A 46 -9.211 -12.037 -0.831 1.00 0.00 C ATOM 759 O SER A 46 -8.279 -12.465 -0.150 1.00 0.00 O ATOM 760 CB SER A 46 -10.217 -14.031 -2.021 1.00 0.00 C ATOM 761 OG SER A 46 -9.363 -15.033 -1.499 1.00 0.00 O ATOM 0 H SER A 46 -11.977 -12.369 -2.348 1.00 0.00 H new ATOM 0 HA SER A 46 -10.689 -13.340 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.170 -14.478 -2.303 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.778 -13.617 -2.929 1.00 0.00 H new ATOM 0 HG SER A 46 -9.233 -15.735 -2.171 1.00 0.00 H new ATOM 767 N GLY A 47 -9.171 -10.837 -1.410 1.00 0.00 N ATOM 768 CA GLY A 47 -7.983 -10.020 -1.396 1.00 0.00 C ATOM 769 C GLY A 47 -7.786 -9.397 -0.032 1.00 0.00 C ATOM 770 O GLY A 47 -6.798 -9.664 0.650 1.00 0.00 O ATOM 0 H GLY A 47 -9.963 -10.416 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.115 -10.626 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.063 -9.238 -2.151 1.00 0.00 H new ATOM 774 N LYS A 48 -8.752 -8.585 0.398 1.00 0.00 N ATOM 775 CA LYS A 48 -8.676 -7.912 1.693 1.00 0.00 C ATOM 776 C LYS A 48 -8.756 -8.914 2.848 1.00 0.00 C ATOM 777 O LYS A 48 -8.386 -8.561 3.966 1.00 0.00 O ATOM 778 CB LYS A 48 -9.786 -6.860 1.803 1.00 0.00 C ATOM 779 CG LYS A 48 -9.587 -5.673 0.844 1.00 0.00 C ATOM 780 CD LYS A 48 -10.933 -5.062 0.450 1.00 0.00 C ATOM 781 CE LYS A 48 -11.640 -4.316 1.592 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.078 -4.108 1.319 1.00 0.00 N ATOM 0 H LYS A 48 -9.598 -8.378 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.710 -7.412 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.747 -7.331 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.828 -6.489 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.964 -4.916 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.058 -6.006 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.778 -4.372 -0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.588 -5.854 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.526 -4.880 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.158 -3.351 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.513 -3.601 2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.189 -3.547 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.545 -5.029 1.198 1.00 0.00 H new ATOM 796 N LYS A 49 -9.183 -10.161 2.619 1.00 0.00 N ATOM 797 CA LYS A 49 -8.924 -11.262 3.545 1.00 0.00 C ATOM 798 C LYS A 49 -7.413 -11.469 3.689 1.00 0.00 C ATOM 799 O LYS A 49 -6.884 -11.235 4.777 1.00 0.00 O ATOM 800 CB LYS A 49 -9.653 -12.533 3.079 1.00 0.00 C ATOM 801 CG LYS A 49 -11.142 -12.493 3.452 1.00 0.00 C ATOM 802 CD LYS A 49 -11.985 -13.600 2.801 1.00 0.00 C ATOM 803 CE LYS A 49 -11.673 -15.029 3.270 1.00 0.00 C ATOM 804 NZ LYS A 49 -10.540 -15.686 2.576 1.00 0.00 N ATOM 0 H LYS A 49 -9.714 -10.431 1.791 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.317 -11.018 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.550 -12.638 1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.186 -13.408 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.236 -12.570 4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.551 -11.524 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.037 -13.394 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.845 -13.552 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.460 -15.005 4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.565 -15.641 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.689 -16.715 2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.480 -15.334 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.654 -15.470 3.076 1.00 0.00 H new ATOM 818 N SER A 50 -6.720 -11.861 2.616 1.00 0.00 N ATOM 819 CA SER A 50 -5.295 -12.179 2.636 1.00 0.00 C ATOM 820 C SER A 50 -4.428 -11.051 3.213 1.00 0.00 C ATOM 821 O SER A 50 -3.477 -11.338 3.943 1.00 0.00 O ATOM 822 CB SER A 50 -4.843 -12.508 1.213 1.00 0.00 C ATOM 823 OG SER A 50 -5.556 -13.611 0.695 1.00 0.00 O ATOM 0 H SER A 50 -7.144 -11.967 1.694 1.00 0.00 H new ATOM 0 HA SER A 50 -5.161 -13.036 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.993 -11.640 0.571 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.775 -12.727 1.209 1.00 0.00 H new ATOM 0 HG SER A 50 -6.445 -13.318 0.404 1.00 0.00 H new ATOM 829 N ILE A 51 -4.761 -9.786 2.929 1.00 0.00 N ATOM 830 CA ILE A 51 -4.050 -8.597 3.415 1.00 0.00 C ATOM 831 C ILE A 51 -3.849 -8.641 4.936 1.00 0.00 C ATOM 832 O ILE A 51 -2.794 -8.262 5.461 1.00 0.00 O ATOM 833 CB ILE A 51 -4.830 -7.341 2.952 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.607 -7.146 1.437 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.442 -6.063 3.710 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.269 -5.907 0.835 1.00 0.00 C ATOM 0 H ILE A 51 -5.558 -9.554 2.336 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.046 -8.564 2.992 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.883 -7.514 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.535 -7.093 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.980 -8.027 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.028 -5.225 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.641 -6.196 4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.381 -5.860 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.053 -5.861 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.347 -5.962 0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.880 -5.013 1.323 1.00 0.00 H new ATOM 848 N VAL A 52 -4.860 -9.093 5.674 1.00 0.00 N ATOM 849 CA VAL A 52 -4.803 -9.138 7.125 1.00 0.00 C ATOM 850 C VAL A 52 -3.708 -10.123 7.553 1.00 0.00 C ATOM 851 O VAL A 52 -2.866 -9.798 8.395 1.00 0.00 O ATOM 852 CB VAL A 52 -6.200 -9.462 7.682 1.00 0.00 C ATOM 853 CG1 VAL A 52 -6.153 -9.518 9.208 1.00 0.00 C ATOM 854 CG2 VAL A 52 -7.214 -8.381 7.270 1.00 0.00 C ATOM 0 H VAL A 52 -5.736 -9.436 5.281 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.528 -8.171 7.546 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.507 -10.426 7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.146 -9.748 9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.453 -10.292 9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.826 -8.554 9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.195 -8.630 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.895 -7.415 7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.271 -8.332 6.183 1.00 0.00 H new ATOM 864 N LYS A 53 -3.687 -11.312 6.946 1.00 0.00 N ATOM 865 CA LYS A 53 -2.739 -12.373 7.270 1.00 0.00 C ATOM 866 C LYS A 53 -1.330 -12.090 6.757 1.00 0.00 C ATOM 867 O LYS A 53 -0.368 -12.645 7.283 1.00 0.00 O ATOM 868 CB LYS A 53 -3.274 -13.720 6.751 1.00 0.00 C ATOM 869 CG LYS A 53 -4.014 -14.498 7.848 1.00 0.00 C ATOM 870 CD LYS A 53 -5.187 -13.758 8.506 1.00 0.00 C ATOM 871 CE LYS A 53 -5.829 -14.623 9.596 1.00 0.00 C ATOM 872 NZ LYS A 53 -4.944 -14.887 10.747 1.00 0.00 N ATOM 0 H LYS A 53 -4.340 -11.566 6.204 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.650 -12.419 8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.947 -13.545 5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.445 -14.320 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.388 -15.428 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.297 -14.769 8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.836 -12.821 8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.931 -13.502 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.734 -14.130 9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.134 -15.574 9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.492 -15.328 11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.178 -15.527 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.537 -13.991 11.085 1.00 0.00 H new ATOM 886 N GLU A 54 -1.170 -11.231 5.755 1.00 0.00 N ATOM 887 CA GLU A 54 0.152 -10.774 5.336 1.00 0.00 C ATOM 888 C GLU A 54 0.770 -9.836 6.383 1.00 0.00 C ATOM 889 O GLU A 54 1.991 -9.825 6.513 1.00 0.00 O ATOM 890 CB GLU A 54 0.045 -10.085 3.974 1.00 0.00 C ATOM 891 CG GLU A 54 0.065 -11.090 2.815 1.00 0.00 C ATOM 892 CD GLU A 54 1.491 -11.540 2.483 1.00 0.00 C ATOM 893 OE1 GLU A 54 2.205 -10.760 1.824 1.00 0.00 O ATOM 894 OE2 GLU A 54 1.873 -12.684 2.817 1.00 0.00 O ATOM 0 H GLU A 54 -1.941 -10.836 5.217 1.00 0.00 H new ATOM 0 HA GLU A 54 0.812 -11.636 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.876 -9.504 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.870 -9.382 3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.540 -11.959 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.389 -10.638 1.933 1.00 0.00 H new ATOM 901 N ASN A 55 -0.045 -9.129 7.185 1.00 0.00 N ATOM 902 CA ASN A 55 0.378 -8.280 8.314 1.00 0.00 C ATOM 903 C ASN A 55 1.016 -6.957 7.851 1.00 0.00 C ATOM 904 O ASN A 55 1.955 -6.475 8.475 1.00 0.00 O ATOM 905 CB ASN A 55 1.265 -9.069 9.302 1.00 0.00 C ATOM 906 CG ASN A 55 1.529 -8.396 10.640 1.00 0.00 C ATOM 907 OD1 ASN A 55 2.654 -8.010 10.935 1.00 0.00 O ATOM 908 ND2 ASN A 55 0.535 -8.323 11.511 1.00 0.00 N ATOM 0 H ASN A 55 -1.057 -9.133 7.060 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.520 -7.989 8.860 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.796 -10.035 9.489 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.223 -9.267 8.822 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.700 -7.941 12.442 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.396 -8.648 11.251 1.00 0.00 H new ATOM 915 N VAL A 56 0.490 -6.340 6.782 1.00 0.00 N ATOM 916 CA VAL A 56 1.039 -5.117 6.168 1.00 0.00 C ATOM 917 C VAL A 56 1.430 -4.069 7.222 1.00 0.00 C ATOM 918 O VAL A 56 0.682 -3.849 8.178 1.00 0.00 O ATOM 919 CB VAL A 56 0.045 -4.471 5.174 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.764 -3.646 4.113 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.874 -5.435 4.422 1.00 0.00 C ATOM 0 H VAL A 56 -0.346 -6.683 6.309 1.00 0.00 H new ATOM 0 HA VAL A 56 1.932 -5.434 5.628 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.574 -3.860 5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.032 -3.209 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.333 -2.851 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.442 -4.288 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.526 -4.871 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.272 -6.131 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.480 -5.992 5.137 1.00 0.00 H new ATOM 931 N ASN A 57 2.582 -3.440 6.997 1.00 0.00 N ATOM 932 CA ASN A 57 3.058 -2.256 7.690 1.00 0.00 C ATOM 933 C ASN A 57 2.145 -1.085 7.343 1.00 0.00 C ATOM 934 O ASN A 57 1.569 -0.477 8.248 1.00 0.00 O ATOM 935 CB ASN A 57 4.522 -1.999 7.290 1.00 0.00 C ATOM 936 CG ASN A 57 5.125 -0.776 7.948 1.00 0.00 C ATOM 937 OD1 ASN A 57 4.677 0.345 7.748 1.00 0.00 O ATOM 938 ND2 ASN A 57 6.186 -0.955 8.705 1.00 0.00 N ATOM 0 H ASN A 57 3.239 -3.764 6.288 1.00 0.00 H new ATOM 0 HA ASN A 57 3.030 -2.390 8.771 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.120 -2.873 7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.579 -1.884 6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.647 -0.153 9.135 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.547 -1.896 8.862 1.00 0.00 H new ATOM 945 N ALA A 58 1.997 -0.783 6.045 1.00 0.00 N ATOM 946 CA ALA A 58 1.339 0.442 5.605 1.00 0.00 C ATOM 947 C ALA A 58 0.640 0.328 4.240 1.00 0.00 C ATOM 948 O ALA A 58 0.845 -0.636 3.504 1.00 0.00 O ATOM 949 CB ALA A 58 2.395 1.537 5.589 1.00 0.00 C ATOM 0 H ALA A 58 2.327 -1.377 5.284 1.00 0.00 H new ATOM 0 HA ALA A 58 0.532 0.669 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.943 2.474 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.806 1.661 6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.194 1.262 4.900 1.00 0.00 H new ATOM 955 N ILE A 59 -0.203 1.302 3.890 1.00 0.00 N ATOM 956 CA ILE A 59 -0.864 1.427 2.592 1.00 0.00 C ATOM 957 C ILE A 59 -0.380 2.764 1.987 1.00 0.00 C ATOM 958 O ILE A 59 -0.204 3.722 2.734 1.00 0.00 O ATOM 959 CB ILE A 59 -2.396 1.424 2.814 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.822 0.063 3.398 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.188 1.722 1.528 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.260 0.007 3.903 1.00 0.00 C ATOM 0 H ILE A 59 -0.453 2.055 4.531 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.627 0.605 1.916 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.628 2.227 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.690 -0.702 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.153 -0.189 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.256 1.706 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.910 2.705 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.960 0.966 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.469 -0.988 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.397 0.745 4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.943 0.224 3.082 1.00 0.00 H new ATOM 974 N ILE A 60 -0.264 2.887 0.662 1.00 0.00 N ATOM 975 CA ILE A 60 -0.028 4.124 -0.104 1.00 0.00 C ATOM 976 C ILE A 60 -1.243 4.259 -1.020 1.00 0.00 C ATOM 977 O ILE A 60 -1.508 3.306 -1.758 1.00 0.00 O ATOM 978 CB ILE A 60 1.284 3.976 -0.928 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.485 3.681 -0.013 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.600 5.204 -1.796 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.822 3.482 -0.735 1.00 0.00 C ATOM 0 H ILE A 60 -0.337 2.074 0.051 1.00 0.00 H new ATOM 0 HA ILE A 60 0.089 5.003 0.529 1.00 0.00 H new ATOM 0 HB ILE A 60 1.112 3.134 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.592 4.502 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.267 2.785 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.527 5.034 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.787 5.369 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.711 6.081 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.604 3.280 -0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.742 2.640 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.072 4.384 -1.293 1.00 0.00 H new ATOM 993 N CYS A 61 -2.007 5.358 -0.988 1.00 0.00 N ATOM 994 CA CYS A 61 -3.129 5.549 -1.915 1.00 0.00 C ATOM 995 C CYS A 61 -3.446 7.029 -2.097 1.00 0.00 C ATOM 996 O CYS A 61 -3.186 7.840 -1.214 1.00 0.00 O ATOM 997 CB CYS A 61 -4.375 4.819 -1.401 1.00 0.00 C ATOM 998 SG CYS A 61 -4.886 5.418 0.244 1.00 0.00 S ATOM 0 H CYS A 61 -1.869 6.127 -0.332 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.837 5.134 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.193 4.957 -2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.174 3.749 -1.351 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.463 4.453 0.897 1.00 0.00 H new ATOM 1004 N LYS A 62 -4.033 7.405 -3.232 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.376 8.797 -3.517 1.00 0.00 C ATOM 1006 C LYS A 62 -5.557 9.259 -2.664 1.00 0.00 C ATOM 1007 O LYS A 62 -5.726 10.457 -2.471 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.734 9.003 -4.996 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.606 8.622 -5.956 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.910 9.051 -7.397 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.906 8.368 -8.333 1.00 0.00 C ATOM 1012 NZ LYS A 62 -2.637 9.139 -9.566 1.00 0.00 N ATOM 0 H LYS A 62 -4.283 6.756 -3.978 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.492 9.388 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.618 8.411 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.998 10.048 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.677 9.088 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.451 7.544 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.929 8.773 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.839 10.135 -7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.969 8.213 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.285 7.383 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.952 8.624 -10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.523 9.266 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.247 10.070 -9.315 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.431 8.352 -2.219 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.670 8.655 -1.500 1.00 0.00 C ATOM 1028 C ASN A 63 -8.213 7.301 -1.038 1.00 0.00 C ATOM 1029 O ASN A 63 -7.813 6.268 -1.596 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.718 9.326 -2.408 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.656 10.842 -2.339 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.964 11.437 -1.310 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -8.262 11.487 -3.423 1.00 0.00 N ATOM 0 H ASN A 63 -6.290 7.351 -2.355 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.471 9.346 -0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.562 9.005 -3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.714 8.992 -2.118 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.208 12.506 -3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.012 10.966 -4.264 1.00 0.00 H new ATOM 1040 N ILE A 64 -9.181 7.296 -0.122 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.640 6.075 0.520 1.00 0.00 C ATOM 1042 C ILE A 64 -11.090 6.233 0.986 1.00 0.00 C ATOM 1043 O ILE A 64 -11.456 7.241 1.586 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.632 5.712 1.640 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -9.081 4.442 2.391 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -8.329 6.864 2.616 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.994 3.828 3.290 1.00 0.00 C ATOM 0 H ILE A 64 -9.665 8.138 0.192 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.663 5.235 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.687 5.511 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.950 4.683 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.400 3.696 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.616 6.526 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.906 7.705 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.251 7.178 3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.388 2.939 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.132 3.554 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.691 4.556 4.043 1.00 0.00 H new ATOM 1059 N SER A 65 -11.928 5.239 0.688 1.00 0.00 N ATOM 1060 CA SER A 65 -13.313 5.188 1.145 1.00 0.00 C ATOM 1061 C SER A 65 -13.351 5.225 2.666 1.00 0.00 C ATOM 1062 O SER A 65 -12.496 4.625 3.322 1.00 0.00 O ATOM 1063 CB SER A 65 -13.986 3.899 0.656 1.00 0.00 C ATOM 1064 OG SER A 65 -15.372 4.060 0.440 1.00 0.00 O ATOM 0 H SER A 65 -11.659 4.439 0.116 1.00 0.00 H new ATOM 0 HA SER A 65 -13.847 6.048 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.513 3.575 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.825 3.109 1.389 1.00 0.00 H new ATOM 0 HG SER A 65 -15.700 3.336 -0.134 1.00 0.00 H new ATOM 1070 N GLU A 66 -14.397 5.838 3.210 1.00 0.00 N ATOM 1071 CA GLU A 66 -14.573 6.048 4.636 1.00 0.00 C ATOM 1072 C GLU A 66 -14.553 4.710 5.382 1.00 0.00 C ATOM 1073 O GLU A 66 -13.783 4.555 6.335 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.859 6.863 4.841 1.00 0.00 C ATOM 1075 CG GLU A 66 -16.013 7.403 6.258 1.00 0.00 C ATOM 1076 CD GLU A 66 -17.046 6.635 7.089 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -17.117 5.383 7.051 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -17.747 7.321 7.859 1.00 0.00 O ATOM 0 H GLU A 66 -15.165 6.212 2.652 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.748 6.620 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.868 7.697 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.719 6.237 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.048 7.362 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.303 8.453 6.210 1.00 0.00 H new ATOM 1085 N GLU A 67 -15.329 3.729 4.896 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.427 2.408 5.512 1.00 0.00 C ATOM 1087 C GLU A 67 -14.035 1.790 5.604 1.00 0.00 C ATOM 1088 O GLU A 67 -13.653 1.285 6.658 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.365 1.466 4.719 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.111 0.492 5.663 1.00 0.00 C ATOM 1091 CD GLU A 67 -17.612 -0.797 4.985 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -18.050 -0.757 3.812 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -17.504 -1.887 5.599 1.00 0.00 O ATOM 0 H GLU A 67 -15.906 3.836 4.062 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.853 2.533 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.088 2.057 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.784 0.898 3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.447 0.221 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.963 1.012 6.101 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.295 1.842 4.489 1.00 0.00 N ATOM 1101 CA ASN A 68 -11.973 1.248 4.342 1.00 0.00 C ATOM 1102 C ASN A 68 -10.980 1.925 5.275 1.00 0.00 C ATOM 1103 O ASN A 68 -10.242 1.225 5.962 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.480 1.316 2.874 1.00 0.00 C ATOM 1105 CG ASN A 68 -11.818 0.067 2.053 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -11.828 -1.044 2.577 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.112 0.169 0.759 1.00 0.00 N ATOM 0 H ASN A 68 -13.615 2.314 3.643 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.047 0.195 4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.922 2.188 2.392 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.400 1.462 2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.340 -0.667 0.220 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.109 1.083 0.306 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.982 3.257 5.355 1.00 0.00 N ATOM 1115 CA TYR A 69 -10.088 3.990 6.247 1.00 0.00 C ATOM 1116 C TYR A 69 -10.260 3.480 7.674 1.00 0.00 C ATOM 1117 O TYR A 69 -9.349 2.865 8.225 1.00 0.00 O ATOM 1118 CB TYR A 69 -10.315 5.509 6.169 1.00 0.00 C ATOM 1119 CG TYR A 69 -9.305 6.304 6.986 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -9.511 6.555 8.359 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -8.132 6.774 6.369 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -8.554 7.271 9.103 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -7.179 7.499 7.101 1.00 0.00 C ATOM 1124 CZ TYR A 69 -7.384 7.754 8.472 1.00 0.00 C ATOM 1125 OH TYR A 69 -6.476 8.505 9.156 1.00 0.00 O ATOM 0 H TYR A 69 -11.601 3.853 4.806 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.062 3.812 5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.262 5.826 5.127 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.321 5.739 6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.408 6.196 8.842 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.963 6.575 5.321 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.713 7.451 10.156 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.287 7.862 6.613 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.752 8.773 8.552 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.450 3.684 8.248 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.739 3.382 9.649 1.00 0.00 C ATOM 1137 C LYS A 70 -11.458 1.903 9.978 1.00 0.00 C ATOM 1138 O LYS A 70 -11.051 1.581 11.100 1.00 0.00 O ATOM 1139 CB LYS A 70 -13.208 3.754 9.908 1.00 0.00 C ATOM 1140 CG LYS A 70 -13.486 5.274 10.011 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.804 5.659 9.313 1.00 0.00 C ATOM 1142 CE LYS A 70 -15.635 6.761 9.990 1.00 0.00 C ATOM 1143 NZ LYS A 70 -15.528 8.120 9.423 1.00 0.00 N ATOM 0 H LYS A 70 -12.249 4.069 7.744 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.087 3.961 10.302 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.819 3.341 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.531 3.277 10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.531 5.566 11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.661 5.826 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.573 5.980 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.422 4.765 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.683 6.462 9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.346 6.807 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.419 8.810 10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.701 8.170 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.388 8.339 8.881 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.673 1.002 9.013 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.465 -0.444 9.108 1.00 0.00 C ATOM 1159 C LYS A 71 -10.002 -0.842 9.151 1.00 0.00 C ATOM 1160 O LYS A 71 -9.663 -1.833 9.799 1.00 0.00 O ATOM 1161 CB LYS A 71 -12.128 -1.069 7.887 1.00 0.00 C ATOM 1162 CG LYS A 71 -12.205 -2.601 7.868 1.00 0.00 C ATOM 1163 CD LYS A 71 -13.488 -3.008 7.127 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.526 -4.495 6.772 1.00 0.00 C ATOM 1165 NZ LYS A 71 -14.848 -4.889 6.227 1.00 0.00 N ATOM 0 H LYS A 71 -12.016 1.280 8.094 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.898 -0.796 10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.141 -0.674 7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.588 -0.742 6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.330 -3.019 7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.212 -2.994 8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.351 -2.766 7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.576 -2.420 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.749 -4.716 6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.306 -5.088 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.840 -5.903 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.586 -4.701 6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.046 -4.340 5.366 1.00 0.00 H new ATOM 1179 N PHE A 72 -9.125 -0.125 8.457 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.718 -0.493 8.373 1.00 0.00 C ATOM 1181 C PHE A 72 -6.840 0.311 9.344 1.00 0.00 C ATOM 1182 O PHE A 72 -5.807 -0.202 9.787 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.271 -0.438 6.906 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.634 -1.668 6.089 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -6.871 -2.833 6.263 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.657 -1.658 5.123 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -7.107 -3.976 5.480 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -8.906 -2.802 4.340 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.120 -3.960 4.507 1.00 0.00 C ATOM 0 H PHE A 72 -9.367 0.721 7.941 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.587 -1.521 8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.717 0.439 6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.190 -0.302 6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.091 -2.851 7.010 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.254 -0.769 4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.511 -4.865 5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.701 -2.792 3.610 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.295 -4.829 3.891 1.00 0.00 H new ATOM 1199 N SER A 73 -7.285 1.498 9.767 1.00 0.00 N ATOM 1200 CA SER A 73 -6.489 2.520 10.462 1.00 0.00 C ATOM 1201 C SER A 73 -6.013 2.206 11.904 1.00 0.00 C ATOM 1202 O SER A 73 -5.636 3.131 12.633 1.00 0.00 O ATOM 1203 CB SER A 73 -7.250 3.858 10.382 1.00 0.00 C ATOM 1204 OG SER A 73 -8.550 3.796 10.947 1.00 0.00 O ATOM 0 H SER A 73 -8.253 1.788 9.629 1.00 0.00 H new ATOM 0 HA SER A 73 -5.537 2.559 9.932 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.674 4.628 10.896 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.329 4.162 9.338 1.00 0.00 H new ATOM 0 HG SER A 73 -8.983 4.672 10.869 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.058 0.946 12.360 1.00 0.00 N ATOM 1211 CA LYS A 74 -5.744 0.562 13.747 1.00 0.00 C ATOM 1212 C LYS A 74 -4.381 -0.139 13.887 1.00 0.00 C ATOM 1213 O LYS A 74 -3.851 -0.231 14.999 1.00 0.00 O ATOM 1214 CB LYS A 74 -6.876 -0.335 14.281 1.00 0.00 C ATOM 1215 CG LYS A 74 -6.924 -0.421 15.820 1.00 0.00 C ATOM 1216 CD LYS A 74 -7.435 -1.784 16.323 1.00 0.00 C ATOM 1217 CE LYS A 74 -6.649 -2.241 17.562 1.00 0.00 C ATOM 1218 NZ LYS A 74 -7.316 -1.910 18.832 1.00 0.00 N ATOM 0 H LYS A 74 -6.316 0.155 11.771 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.670 1.475 14.339 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.831 0.044 13.917 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.756 -1.339 13.873 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.927 -0.241 16.221 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.570 0.369 16.204 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.495 -1.712 16.566 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.339 -2.527 15.532 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.498 -3.319 17.510 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.662 -1.779 17.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.735 -2.245 19.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.438 -0.880 18.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.247 -2.371 18.866 1.00 0.00 H new ATOM 1232 N LYS A 75 -3.811 -0.675 12.801 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.470 -1.264 12.841 1.00 0.00 C ATOM 1234 C LYS A 75 -1.653 -0.970 11.602 1.00 0.00 C ATOM 1235 O LYS A 75 -0.434 -0.857 11.682 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.520 -2.766 13.152 1.00 0.00 C ATOM 1237 CG LYS A 75 -2.783 -3.772 12.020 1.00 0.00 C ATOM 1238 CD LYS A 75 -1.474 -4.342 11.431 1.00 0.00 C ATOM 1239 CE LYS A 75 -1.698 -5.399 10.344 1.00 0.00 C ATOM 1240 NZ LYS A 75 -2.258 -6.668 10.850 1.00 0.00 N ATOM 0 H LYS A 75 -4.258 -0.712 11.885 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.949 -0.775 13.664 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.569 -3.035 13.611 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.292 -2.916 13.907 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.396 -4.590 12.398 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.354 -3.285 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.887 -3.524 11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.884 -4.780 12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.370 -4.992 9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.749 -5.604 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.287 -7.366 10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.661 -7.028 11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.222 -6.505 11.206 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.320 -0.911 10.457 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.700 -0.570 9.192 1.00 0.00 C ATOM 1256 C ILE A 76 -1.795 0.950 9.066 1.00 0.00 C ATOM 1257 O ILE A 76 -2.886 1.520 9.186 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.389 -1.303 8.017 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.732 -2.775 8.277 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.542 -1.133 6.752 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.406 -3.464 7.088 1.00 0.00 C ATOM 0 H ILE A 76 -3.319 -1.102 10.384 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.658 -0.888 9.158 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.363 -0.832 7.887 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.819 -3.314 8.529 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.389 -2.839 9.144 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.023 -1.648 5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.448 -0.073 6.517 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.552 -1.557 6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.620 -4.502 7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.337 -2.950 6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.742 -3.432 6.224 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.675 1.611 8.816 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.604 3.056 8.612 1.00 0.00 C ATOM 1275 C GLU A 77 -1.058 3.373 7.179 1.00 0.00 C ATOM 1276 O GLU A 77 -0.846 2.566 6.279 1.00 0.00 O ATOM 1277 CB GLU A 77 0.830 3.508 8.926 1.00 0.00 C ATOM 1278 CG GLU A 77 1.100 3.328 10.436 1.00 0.00 C ATOM 1279 CD GLU A 77 2.585 3.325 10.801 1.00 0.00 C ATOM 1280 OE1 GLU A 77 3.162 4.404 11.074 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.141 2.213 10.925 1.00 0.00 O ATOM 0 H GLU A 77 0.232 1.150 8.747 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.269 3.607 9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.544 2.924 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.966 4.552 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.603 4.129 10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.652 2.391 10.767 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.730 4.500 6.931 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.138 4.929 5.597 1.00 0.00 C ATOM 1290 C ILE A 78 -1.371 6.184 5.263 1.00 0.00 C ATOM 1291 O ILE A 78 -1.476 7.197 5.959 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.656 5.184 5.529 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.391 3.900 5.919 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.096 5.602 4.116 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.334 4.054 7.108 1.00 0.00 C ATOM 0 H ILE A 78 -2.009 5.149 7.667 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.918 4.144 4.874 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.898 5.995 6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.962 3.547 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.655 3.130 6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.172 5.773 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.580 6.519 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.848 4.811 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.814 3.098 7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.768 4.375 7.982 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.095 4.799 6.875 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.653 6.098 4.158 1.00 0.00 N ATOM 1308 CA TYR A 79 0.062 7.169 3.519 1.00 0.00 C ATOM 1309 C TYR A 79 -0.706 7.577 2.272 1.00 0.00 C ATOM 1310 O TYR A 79 -1.506 6.800 1.725 1.00 0.00 O ATOM 1311 CB TYR A 79 1.496 6.713 3.245 1.00 0.00 C ATOM 1312 CG TYR A 79 2.279 6.436 4.522 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.114 5.224 5.221 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.128 7.424 5.051 1.00 0.00 C ATOM 1315 CE1 TYR A 79 2.829 4.996 6.408 1.00 0.00 C ATOM 1316 CE2 TYR A 79 3.845 7.202 6.239 1.00 0.00 C ATOM 1317 CZ TYR A 79 3.684 5.985 6.932 1.00 0.00 C ATOM 1318 OH TYR A 79 4.295 5.762 8.124 1.00 0.00 O ATOM 0 H TYR A 79 -0.552 5.216 3.656 1.00 0.00 H new ATOM 0 HA TYR A 79 0.136 8.053 4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.475 5.811 2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.012 7.479 2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.438 4.471 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.231 8.368 4.536 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.722 4.053 6.924 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.515 7.959 6.619 1.00 0.00 H new ATOM 0 HH TYR A 79 4.854 6.533 8.355 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.476 8.821 1.864 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.981 9.339 0.610 1.00 0.00 C ATOM 1330 C HIS A 80 -0.254 8.615 -0.540 1.00 0.00 C ATOM 1331 O HIS A 80 0.579 7.740 -0.310 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.832 10.873 0.627 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.783 11.677 -0.233 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.666 13.031 -0.506 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.996 11.261 -0.718 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.790 13.411 -1.146 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.602 12.359 -1.333 1.00 0.00 N ATOM 0 H HIS A 80 0.069 9.496 2.400 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.043 9.145 0.458 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.943 11.210 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.186 11.116 0.320 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.408 10.266 -0.639 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.007 14.420 -1.464 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.493 12.361 -1.830 1.00 0.00 H new ATOM 1345 N ALA A 81 -0.617 8.908 -1.782 1.00 0.00 N ATOM 1346 CA ALA A 81 0.137 8.563 -2.971 1.00 0.00 C ATOM 1347 C ALA A 81 0.402 9.800 -3.808 1.00 0.00 C ATOM 1348 O ALA A 81 -0.399 10.742 -3.886 1.00 0.00 O ATOM 1349 CB ALA A 81 -0.570 7.520 -3.841 1.00 0.00 C ATOM 0 H ALA A 81 -1.479 9.412 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 81 1.075 8.130 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.042 7.301 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.719 6.607 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.537 7.908 -4.162 1.00 0.00 H new ATOM 1355 N GLU A 82 1.537 9.706 -4.478 1.00 0.00 N ATOM 1356 CA GLU A 82 2.282 10.735 -5.144 1.00 0.00 C ATOM 1357 C GLU A 82 2.062 10.516 -6.642 1.00 0.00 C ATOM 1358 O GLU A 82 1.013 9.990 -7.054 1.00 0.00 O ATOM 1359 CB GLU A 82 3.706 10.720 -4.539 1.00 0.00 C ATOM 1360 CG GLU A 82 3.732 11.339 -3.122 1.00 0.00 C ATOM 1361 CD GLU A 82 2.905 10.602 -2.074 1.00 0.00 C ATOM 1362 OE1 GLU A 82 2.937 9.351 -2.117 1.00 0.00 O ATOM 1363 OE2 GLU A 82 2.245 11.276 -1.260 1.00 0.00 O ATOM 0 H GLU A 82 2.001 8.803 -4.573 1.00 0.00 H new ATOM 0 HA GLU A 82 1.976 11.771 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.072 9.694 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.384 11.272 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.766 11.381 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.375 12.367 -3.186 1.00 0.00 H new ATOM 1370 N GLY A 83 2.912 11.098 -7.481 1.00 0.00 N ATOM 1371 CA GLY A 83 2.920 10.878 -8.924 1.00 0.00 C ATOM 1372 C GLY A 83 2.801 9.406 -9.338 1.00 0.00 C ATOM 1373 O GLY A 83 2.952 8.507 -8.511 1.00 0.00 O ATOM 0 H GLY A 83 3.631 11.751 -7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.097 11.436 -9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.842 11.286 -9.337 1.00 0.00 H new ATOM 1377 N ASP A 84 2.533 9.150 -10.619 1.00 0.00 N ATOM 1378 CA ASP A 84 2.380 7.812 -11.228 1.00 0.00 C ATOM 1379 C ASP A 84 3.561 6.910 -11.001 1.00 0.00 C ATOM 1380 O ASP A 84 3.407 5.690 -11.064 1.00 0.00 O ATOM 1381 CB ASP A 84 2.090 7.931 -12.735 1.00 0.00 C ATOM 1382 CG ASP A 84 2.889 7.046 -13.720 1.00 0.00 C ATOM 1383 OD1 ASP A 84 4.118 7.244 -13.831 1.00 0.00 O ATOM 1384 OD2 ASP A 84 2.278 6.354 -14.563 1.00 0.00 O ATOM 0 H ASP A 84 2.409 9.900 -11.299 1.00 0.00 H new ATOM 0 HA ASP A 84 1.532 7.349 -10.724 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.031 7.719 -12.885 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.250 8.971 -13.021 1.00 0.00 H new ATOM 1389 N ASP A 85 4.712 7.522 -10.747 1.00 0.00 N ATOM 1390 CA ASP A 85 5.942 6.782 -10.693 1.00 0.00 C ATOM 1391 C ASP A 85 5.929 5.963 -9.421 1.00 0.00 C ATOM 1392 O ASP A 85 6.141 6.503 -8.323 1.00 0.00 O ATOM 1393 CB ASP A 85 7.157 7.697 -10.745 1.00 0.00 C ATOM 1394 CG ASP A 85 8.268 7.081 -11.572 1.00 0.00 C ATOM 1395 OD1 ASP A 85 8.483 5.857 -11.490 1.00 0.00 O ATOM 1396 OD2 ASP A 85 8.905 7.842 -12.333 1.00 0.00 O ATOM 0 H ASP A 85 4.807 8.523 -10.578 1.00 0.00 H new ATOM 0 HA ASP A 85 6.017 6.131 -11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.873 8.660 -11.171 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.516 7.889 -9.734 1.00 0.00 H new ATOM 1401 N VAL A 86 5.637 4.677 -9.576 1.00 0.00 N ATOM 1402 CA VAL A 86 5.675 3.716 -8.503 1.00 0.00 C ATOM 1403 C VAL A 86 7.058 3.789 -7.833 1.00 0.00 C ATOM 1404 O VAL A 86 7.140 3.772 -6.608 1.00 0.00 O ATOM 1405 CB VAL A 86 5.327 2.327 -9.076 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.708 1.180 -8.132 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.835 2.201 -9.397 1.00 0.00 C ATOM 0 H VAL A 86 5.363 4.275 -10.472 1.00 0.00 H new ATOM 0 HA VAL A 86 4.938 3.928 -7.728 1.00 0.00 H new ATOM 0 HB VAL A 86 5.915 2.244 -9.990 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.439 0.228 -8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.782 1.203 -7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.174 1.293 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.632 1.208 -9.798 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.253 2.351 -8.488 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.557 2.954 -10.134 1.00 0.00 H new ATOM 1417 N ASP A 87 8.147 3.945 -8.598 1.00 0.00 N ATOM 1418 CA ASP A 87 9.507 3.896 -8.051 1.00 0.00 C ATOM 1419 C ASP A 87 9.761 5.111 -7.151 1.00 0.00 C ATOM 1420 O ASP A 87 10.342 4.969 -6.069 1.00 0.00 O ATOM 1421 CB ASP A 87 10.570 3.797 -9.161 1.00 0.00 C ATOM 1422 CG ASP A 87 11.108 2.374 -9.332 1.00 0.00 C ATOM 1423 OD1 ASP A 87 10.369 1.497 -9.811 1.00 0.00 O ATOM 1424 OD2 ASP A 87 12.285 2.116 -8.971 1.00 0.00 O ATOM 0 H ASP A 87 8.110 4.107 -9.604 1.00 0.00 H new ATOM 0 HA ASP A 87 9.592 2.991 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.139 4.135 -10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.396 4.469 -8.929 1.00 0.00 H new ATOM 1429 N LYS A 88 9.279 6.307 -7.532 1.00 0.00 N ATOM 1430 CA LYS A 88 9.297 7.468 -6.639 1.00 0.00 C ATOM 1431 C LYS A 88 8.498 7.146 -5.372 1.00 0.00 C ATOM 1432 O LYS A 88 8.980 7.404 -4.279 1.00 0.00 O ATOM 1433 CB LYS A 88 8.805 8.710 -7.409 1.00 0.00 C ATOM 1434 CG LYS A 88 8.505 9.994 -6.615 1.00 0.00 C ATOM 1435 CD LYS A 88 9.585 10.500 -5.654 1.00 0.00 C ATOM 1436 CE LYS A 88 10.887 11.066 -6.245 1.00 0.00 C ATOM 1437 NZ LYS A 88 10.765 12.441 -6.770 1.00 0.00 N ATOM 0 H LYS A 88 8.874 6.490 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 88 10.308 7.702 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.556 8.953 -8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.897 8.431 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.291 10.789 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.594 9.829 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.138 11.276 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.852 9.676 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.659 11.050 -5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.223 10.411 -7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.682 12.750 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.052 12.462 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.475 13.081 -6.003 1.00 0.00 H new ATOM 1451 N ASN A 89 7.308 6.554 -5.480 1.00 0.00 N ATOM 1452 CA ASN A 89 6.451 6.318 -4.315 1.00 0.00 C ATOM 1453 C ASN A 89 7.094 5.310 -3.353 1.00 0.00 C ATOM 1454 O ASN A 89 7.013 5.476 -2.139 1.00 0.00 O ATOM 1455 CB ASN A 89 5.069 5.821 -4.771 1.00 0.00 C ATOM 1456 CG ASN A 89 4.139 6.938 -5.235 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.046 7.130 -4.720 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.532 7.678 -6.259 1.00 0.00 N ATOM 0 H ASN A 89 6.914 6.228 -6.363 1.00 0.00 H new ATOM 0 HA ASN A 89 6.330 7.260 -3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.199 5.107 -5.584 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.596 5.284 -3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.923 8.412 -6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.444 7.515 -6.686 1.00 0.00 H new ATOM 1465 N ILE A 90 7.747 4.271 -3.876 1.00 0.00 N ATOM 1466 CA ILE A 90 8.414 3.234 -3.094 1.00 0.00 C ATOM 1467 C ILE A 90 9.576 3.873 -2.330 1.00 0.00 C ATOM 1468 O ILE A 90 9.704 3.639 -1.129 1.00 0.00 O ATOM 1469 CB ILE A 90 8.865 2.063 -4.009 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.655 1.293 -4.598 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.776 1.073 -3.257 1.00 0.00 C ATOM 1472 CD1 ILE A 90 8.049 0.344 -5.737 1.00 0.00 C ATOM 0 H ILE A 90 7.827 4.126 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 90 7.726 2.800 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 90 9.427 2.514 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.174 0.721 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.920 2.008 -4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.071 0.268 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.665 1.594 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.237 0.656 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.161 -0.167 -6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.504 0.916 -6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.762 -0.392 -5.367 1.00 0.00 H new ATOM 1484 N SER A 91 10.421 4.646 -3.014 1.00 0.00 N ATOM 1485 CA SER A 91 11.594 5.242 -2.396 1.00 0.00 C ATOM 1486 C SER A 91 11.213 6.276 -1.330 1.00 0.00 C ATOM 1487 O SER A 91 11.871 6.317 -0.286 1.00 0.00 O ATOM 1488 CB SER A 91 12.531 5.798 -3.474 1.00 0.00 C ATOM 1489 OG SER A 91 11.872 6.544 -4.478 1.00 0.00 O ATOM 0 H SER A 91 10.309 4.872 -4.002 1.00 0.00 H new ATOM 0 HA SER A 91 12.143 4.467 -1.861 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.281 6.430 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.063 4.969 -3.941 1.00 0.00 H new ATOM 0 HG SER A 91 11.449 5.932 -5.116 1.00 0.00 H new ATOM 1495 N LEU A 92 10.140 7.058 -1.543 1.00 0.00 N ATOM 1496 CA LEU A 92 9.657 8.002 -0.540 1.00 0.00 C ATOM 1497 C LEU A 92 9.241 7.235 0.713 1.00 0.00 C ATOM 1498 O LEU A 92 9.562 7.637 1.834 1.00 0.00 O ATOM 1499 CB LEU A 92 8.442 8.790 -1.052 1.00 0.00 C ATOM 1500 CG LEU A 92 8.696 9.828 -2.156 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.352 10.268 -2.756 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.444 11.068 -1.670 1.00 0.00 C ATOM 0 H LEU A 92 9.595 7.049 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 92 10.463 8.702 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.707 8.075 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.989 9.303 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 92 9.329 9.342 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.527 11.005 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.842 9.403 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.732 10.709 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.588 11.756 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.864 11.560 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.415 10.774 -1.271 1.00 0.00 H new ATOM 1514 N PHE A 93 8.520 6.126 0.525 1.00 0.00 N ATOM 1515 CA PHE A 93 8.015 5.311 1.613 1.00 0.00 C ATOM 1516 C PHE A 93 9.158 4.823 2.506 1.00 0.00 C ATOM 1517 O PHE A 93 9.150 5.087 3.708 1.00 0.00 O ATOM 1518 CB PHE A 93 7.178 4.151 1.063 1.00 0.00 C ATOM 1519 CG PHE A 93 6.872 3.120 2.123 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.082 3.491 3.229 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.463 1.842 2.068 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.838 2.569 4.261 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.206 0.927 3.093 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.380 1.276 4.177 1.00 0.00 C ATOM 0 H PHE A 93 8.273 5.773 -0.399 1.00 0.00 H new ATOM 0 HA PHE A 93 7.363 5.921 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.245 4.539 0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.713 3.677 0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.663 4.485 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.107 1.573 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.238 2.853 5.113 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.646 -0.058 3.052 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.162 0.549 4.945 1.00 0.00 H new ATOM 1534 N ILE A 94 10.128 4.122 1.920 1.00 0.00 N ATOM 1535 CA ILE A 94 11.289 3.531 2.576 1.00 0.00 C ATOM 1536 C ILE A 94 12.033 4.571 3.433 1.00 0.00 C ATOM 1537 O ILE A 94 12.589 4.222 4.477 1.00 0.00 O ATOM 1538 CB ILE A 94 12.167 2.874 1.478 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.452 1.632 0.891 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.562 2.467 1.969 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.078 1.128 -0.415 1.00 0.00 C ATOM 0 H ILE A 94 10.122 3.942 0.916 1.00 0.00 H new ATOM 0 HA ILE A 94 10.991 2.757 3.283 1.00 0.00 H new ATOM 0 HB ILE A 94 12.307 3.636 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.471 0.829 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.405 1.876 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.119 2.015 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.094 3.349 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.466 1.747 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.528 0.257 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.034 1.916 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.118 0.853 -0.238 1.00 0.00 H new ATOM 1553 N GLU A 95 12.074 5.832 3.012 1.00 0.00 N ATOM 1554 CA GLU A 95 12.726 6.915 3.733 1.00 0.00 C ATOM 1555 C GLU A 95 11.875 7.584 4.813 1.00 0.00 C ATOM 1556 O GLU A 95 12.431 8.272 5.675 1.00 0.00 O ATOM 1557 CB GLU A 95 13.142 7.945 2.683 1.00 0.00 C ATOM 1558 CG GLU A 95 14.452 7.501 2.015 1.00 0.00 C ATOM 1559 CD GLU A 95 15.675 7.693 2.926 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.590 8.351 3.984 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.785 7.205 2.603 1.00 0.00 O ATOM 0 H GLU A 95 11.643 6.134 2.138 1.00 0.00 H new ATOM 0 HA GLU A 95 13.569 6.493 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.358 8.052 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.273 8.922 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.374 6.451 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.596 8.067 1.095 1.00 0.00 H new ATOM 1568 N GLY A 96 10.560 7.375 4.835 1.00 0.00 N ATOM 1569 CA GLY A 96 9.663 8.066 5.766 1.00 0.00 C ATOM 1570 C GLY A 96 9.276 9.466 5.274 1.00 0.00 C ATOM 1571 O GLY A 96 9.025 10.354 6.086 1.00 0.00 O ATOM 0 H GLY A 96 10.085 6.724 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.761 7.471 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.146 8.147 6.740 1.00 0.00 H new ATOM 1575 N GLU A 97 9.327 9.708 3.959 1.00 0.00 N ATOM 1576 CA GLU A 97 8.969 10.976 3.331 1.00 0.00 C ATOM 1577 C GLU A 97 7.456 11.126 3.130 1.00 0.00 C ATOM 1578 O GLU A 97 6.960 12.251 3.005 1.00 0.00 O ATOM 1579 CB GLU A 97 9.681 11.022 1.965 1.00 0.00 C ATOM 1580 CG GLU A 97 10.720 12.136 1.844 1.00 0.00 C ATOM 1581 CD GLU A 97 10.175 13.378 1.137 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.366 14.125 1.738 1.00 0.00 O ATOM 1583 OE2 GLU A 97 10.550 13.657 -0.020 1.00 0.00 O ATOM 0 H GLU A 97 9.628 9.003 3.286 1.00 0.00 H new ATOM 0 HA GLU A 97 9.278 11.795 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.169 10.063 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.934 11.149 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.067 12.413 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.585 11.762 1.297 1.00 0.00 H new ATOM 1590 N LEU A 98 6.718 10.014 3.047 1.00 0.00 N ATOM 1591 CA LEU A 98 5.310 10.085 2.676 1.00 0.00 C ATOM 1592 C LEU A 98 4.482 10.652 3.831 1.00 0.00 C ATOM 1593 O LEU A 98 4.701 10.351 5.011 1.00 0.00 O ATOM 1594 CB LEU A 98 4.778 8.712 2.235 1.00 0.00 C ATOM 1595 CG LEU A 98 5.329 8.196 0.888 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.552 6.933 0.505 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.144 9.248 -0.209 1.00 0.00 C ATOM 0 H LEU A 98 7.068 9.073 3.229 1.00 0.00 H new ATOM 0 HA LEU A 98 5.217 10.759 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.015 7.982 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.691 8.765 2.168 1.00 0.00 H new ATOM 0 HG LEU A 98 6.393 7.984 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.925 6.550 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.684 6.176 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.493 7.172 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.539 8.865 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.083 9.471 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.678 10.158 0.065 1.00 0.00 H new ATOM 1609 N SER A 99 3.479 11.451 3.484 1.00 0.00 N ATOM 1610 CA SER A 99 2.521 11.996 4.431 1.00 0.00 C ATOM 1611 C SER A 99 1.407 10.997 4.709 1.00 0.00 C ATOM 1612 O SER A 99 0.824 10.423 3.787 1.00 0.00 O ATOM 1613 CB SER A 99 1.959 13.308 3.891 1.00 0.00 C ATOM 1614 OG SER A 99 2.698 14.385 4.431 1.00 0.00 O ATOM 0 H SER A 99 3.309 11.741 2.521 1.00 0.00 H new ATOM 0 HA SER A 99 3.027 12.193 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.016 13.322 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.906 13.404 4.157 1.00 0.00 H new ATOM 0 HG SER A 99 2.343 15.231 4.086 1.00 0.00 H new ATOM 1620 N LYS A 100 1.083 10.807 5.990 1.00 0.00 N ATOM 1621 CA LYS A 100 -0.045 9.973 6.384 1.00 0.00 C ATOM 1622 C LYS A 100 -1.353 10.686 6.051 1.00 0.00 C ATOM 1623 O LYS A 100 -1.445 11.910 6.174 1.00 0.00 O ATOM 1624 CB LYS A 100 0.084 9.534 7.850 1.00 0.00 C ATOM 1625 CG LYS A 100 1.174 8.446 7.951 1.00 0.00 C ATOM 1626 CD LYS A 100 1.559 7.958 9.355 1.00 0.00 C ATOM 1627 CE LYS A 100 0.383 7.472 10.207 1.00 0.00 C ATOM 1628 NZ LYS A 100 -0.264 8.593 10.915 1.00 0.00 N ATOM 0 H LYS A 100 1.590 11.223 6.771 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.047 9.046 5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.343 10.387 8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.869 9.148 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.842 7.583 7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.074 8.826 7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.280 7.146 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.061 8.769 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.347 6.971 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.735 6.736 10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.594 8.271 11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.420 9.367 11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.075 8.933 10.359 1.00 0.00 H new ATOM 1642 N ILE A 101 -2.358 9.925 5.614 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.705 10.436 5.386 1.00 0.00 C ATOM 1644 C ILE A 101 -4.347 10.611 6.766 1.00 0.00 C ATOM 1645 O ILE A 101 -4.681 9.631 7.446 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.501 9.505 4.435 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.883 9.568 3.021 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.986 9.899 4.380 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.642 8.764 1.959 1.00 0.00 C ATOM 0 H ILE A 101 -2.257 8.931 5.408 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.695 11.399 4.875 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.441 8.486 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.836 10.610 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.857 9.203 3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.516 9.227 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.419 9.826 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.078 10.923 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.138 8.865 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.667 7.713 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.661 9.142 1.876 1.00 0.00 H new ATOM 1661 N SER A 102 -4.509 11.862 7.191 1.00 0.00 N ATOM 1662 CA SER A 102 -5.338 12.238 8.321 1.00 0.00 C ATOM 1663 C SER A 102 -6.806 12.268 7.873 1.00 0.00 C ATOM 1664 O SER A 102 -7.288 13.309 7.420 1.00 0.00 O ATOM 1665 CB SER A 102 -4.859 13.594 8.853 1.00 0.00 C ATOM 1666 OG SER A 102 -4.607 14.493 7.784 1.00 0.00 O ATOM 0 H SER A 102 -4.054 12.658 6.744 1.00 0.00 H new ATOM 0 HA SER A 102 -5.257 11.515 9.133 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.612 14.015 9.519 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.952 13.459 9.442 1.00 0.00 H new ATOM 0 HG SER A 102 -5.385 14.519 7.188 1.00 0.00 H new ATOM 1672 N ASN A 103 -7.485 11.117 8.018 1.00 0.00 N ATOM 1673 CA ASN A 103 -8.892 10.844 7.673 1.00 0.00 C ATOM 1674 C ASN A 103 -9.161 10.928 6.164 1.00 0.00 C ATOM 1675 O ASN A 103 -8.370 11.529 5.437 1.00 0.00 O ATOM 1676 CB ASN A 103 -9.857 11.796 8.413 1.00 0.00 C ATOM 1677 CG ASN A 103 -10.047 11.515 9.891 1.00 0.00 C ATOM 1678 OD1 ASN A 103 -9.047 11.002 10.582 1.00 0.00 O flip ATOM 1679 ND2 ASN A 103 -11.122 11.734 10.434 1.00 0.00 N flip ATOM 0 H ASN A 103 -7.031 10.291 8.409 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.077 9.819 7.996 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.491 12.816 8.299 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.830 11.750 7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.893 12.131 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.247 11.520 11.423 1.00 0.00 H new ATOM 1686 N PRO A 104 -10.275 10.361 5.665 1.00 0.00 N ATOM 1687 CA PRO A 104 -10.845 10.821 4.412 1.00 0.00 C ATOM 1688 C PRO A 104 -11.021 12.338 4.484 1.00 0.00 C ATOM 1689 O PRO A 104 -11.514 12.869 5.503 1.00 0.00 O ATOM 1690 CB PRO A 104 -12.151 10.046 4.210 1.00 0.00 C ATOM 1691 CG PRO A 104 -12.539 9.623 5.623 1.00 0.00 C ATOM 1692 CD PRO A 104 -11.190 9.431 6.314 1.00 0.00 C ATOM 0 HA PRO A 104 -10.207 10.633 3.548 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -12.920 10.668 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -12.009 9.184 3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.141 10.384 6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.125 8.704 5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -11.265 9.637 7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -10.841 8.403 6.211 1.00 0.00 H new TER 1700 PRO A 104