USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1087 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: B 85 THR OG1 : rot 121:sc= 0.512 USER MOD Set 1.2: B 117 ASN : amide:sc= -11.4! C(o=-11!,f=-15!) USER MOD Set 2.1: B 81 LYS NZ :NH3+ -130:sc= -1.66! (180deg=-3.57!) USER MOD Set 2.2: B 113 CYS SG : rot 180:sc= -0.825 USER MOD Set 3.1: A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 11 LYS NZ :NH3+ -178:sc= -1.52! (180deg=0.293) USER MOD Set 4.2: B 108 GLN : amide:sc= -2.35! K(o=-3.9!,f=0.81) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0503) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00683) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.155 USER MOD Single : A 20 THR OG1 : rot -24:sc= 0.682 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= 0.0692 (180deg=0.0467) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= 0.463 (180deg=-4.3!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0673 K(o=-0.067,f=-5.3!) USER MOD Single : A 41 GLN : amide:sc= -0.359 K(o=-0.36,f=-6.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 62:sc= 0.198 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.278 K(o=-0.28,f=-0.87) USER MOD Single : A 50 MET CE :methyl -145:sc= -0.167 (180deg=-2.91!) USER MOD Single : A 55 THR OG1 : rot -38:sc= 0.999 USER MOD Single : A 59 TYR OH : rot 118:sc= 0.99 USER MOD Single : A 60 LYS NZ :NH3+ -117:sc= 0.748 (180deg=-0.338) USER MOD Single : A 65 SER OG : rot 84:sc= 0.0284 USER MOD Single : A 68 HIS : no HD1:sc= -0.749 K(o=-0.75,f=-0.14) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0 USER MOD Single : B 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 99 GLN : amide:sc= -0.284 X(o=-0.28,f=-3.5e-05) USER MOD Single : B 101 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-8.2!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 118 GLN : amide:sc= -2.52! C(o=-2.5!,f=-7.6!) USER MOD Single : B 120 SER OG : rot 180:sc= -0.0728 USER MOD Single : B 125 SER OG : rot 92:sc= 0.025 USER MOD Single : B 127 ASN : amide:sc= 1.16 K(o=1.2,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.509 4.973 13.995 1.00 0.00 N ATOM 2 CA MET A 1 -11.653 3.566 13.536 1.00 0.00 C ATOM 3 C MET A 1 -10.626 3.239 12.456 1.00 0.00 C ATOM 4 O MET A 1 -10.474 3.988 11.486 1.00 0.00 O ATOM 5 CB MET A 1 -13.066 3.321 12.998 1.00 0.00 C ATOM 6 CG MET A 1 -14.132 3.246 14.081 1.00 0.00 C ATOM 7 SD MET A 1 -15.790 3.017 13.412 1.00 0.00 S ATOM 8 CE MET A 1 -16.763 3.005 14.916 1.00 0.00 C ATOM 0 H1 MET A 1 -12.183 5.158 14.765 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.540 5.128 14.339 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.703 5.618 13.203 1.00 0.00 H new ATOM 0 HA MET A 1 -11.479 2.914 14.392 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.323 4.120 12.303 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.072 2.390 12.430 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.900 2.422 14.756 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.107 4.161 14.673 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.823 2.978 14.663 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.508 2.125 15.507 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.550 3.904 15.494 1.00 0.00 H new ATOM 20 N LEU A 2 -9.926 2.115 12.638 1.00 0.00 N ATOM 21 CA LEU A 2 -8.903 1.668 11.689 1.00 0.00 C ATOM 22 C LEU A 2 -9.310 0.356 11.019 1.00 0.00 C ATOM 23 O LEU A 2 -9.972 -0.484 11.633 1.00 0.00 O ATOM 24 CB LEU A 2 -7.532 1.523 12.385 1.00 0.00 C ATOM 25 CG LEU A 2 -7.509 0.731 13.706 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.224 -0.743 13.453 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.476 1.318 14.657 1.00 0.00 C ATOM 0 H LEU A 2 -10.051 1.495 13.439 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.813 2.429 10.913 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.845 1.043 11.688 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.142 2.522 12.580 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.493 0.810 14.167 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.213 -1.280 14.402 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.000 -1.158 12.810 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -6.255 -0.848 12.966 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.471 0.748 15.586 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.489 1.270 14.197 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.727 2.357 14.870 1.00 0.00 H new ATOM 39 N ILE A 3 -8.910 0.199 9.754 1.00 0.00 N ATOM 40 CA ILE A 3 -9.220 -1.007 8.979 1.00 0.00 C ATOM 41 C ILE A 3 -8.027 -1.438 8.122 1.00 0.00 C ATOM 42 O ILE A 3 -7.158 -0.621 7.800 1.00 0.00 O ATOM 43 CB ILE A 3 -10.485 -0.827 8.084 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.550 0.566 7.417 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.740 -1.061 8.911 1.00 0.00 C ATOM 46 CD1 ILE A 3 -9.762 0.682 6.128 1.00 0.00 C ATOM 0 H ILE A 3 -8.368 0.895 9.242 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.435 -1.792 9.703 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.419 -1.564 7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.593 0.809 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.181 1.310 8.122 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.620 -0.934 8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.726 -2.073 9.315 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.774 -0.344 9.731 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.863 1.691 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.710 0.473 6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.145 -0.035 5.402 1.00 0.00 H new ATOM 58 N LYS A 4 -7.998 -2.725 7.759 1.00 0.00 N ATOM 59 CA LYS A 4 -6.911 -3.285 6.949 1.00 0.00 C ATOM 60 C LYS A 4 -7.397 -3.669 5.556 1.00 0.00 C ATOM 61 O LYS A 4 -8.459 -4.281 5.409 1.00 0.00 O ATOM 62 CB LYS A 4 -6.304 -4.517 7.640 1.00 0.00 C ATOM 63 CG LYS A 4 -5.510 -4.206 8.914 1.00 0.00 C ATOM 64 CD LYS A 4 -6.404 -4.099 10.152 1.00 0.00 C ATOM 65 CE LYS A 4 -6.624 -5.452 10.820 1.00 0.00 C ATOM 66 NZ LYS A 4 -7.453 -5.336 12.051 1.00 0.00 N1+ ATOM 0 H LYS A 4 -8.718 -3.401 8.015 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.147 -2.514 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.107 -5.211 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.649 -5.027 6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.766 -4.986 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.967 -3.270 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.952 -3.412 10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.367 -3.675 9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.110 -6.129 10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.660 -5.893 11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.579 -6.277 12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.977 -4.711 12.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.383 -4.939 11.807 1.00 0.00 H new ATOM 80 N VAL A 5 -6.606 -3.306 4.540 1.00 0.00 N ATOM 81 CA VAL A 5 -6.934 -3.614 3.141 1.00 0.00 C ATOM 82 C VAL A 5 -6.073 -4.779 2.640 1.00 0.00 C ATOM 83 O VAL A 5 -4.932 -4.947 3.078 1.00 0.00 O ATOM 84 CB VAL A 5 -6.732 -2.381 2.205 1.00 0.00 C ATOM 85 CG1 VAL A 5 -7.394 -2.596 0.845 1.00 0.00 C ATOM 86 CG2 VAL A 5 -7.266 -1.102 2.842 1.00 0.00 C ATOM 0 H VAL A 5 -5.731 -2.797 4.660 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.988 -3.890 3.112 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.658 -2.273 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.233 -1.718 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.958 -3.470 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.464 -2.753 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.109 -0.264 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.332 -1.212 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.739 -0.914 3.778 1.00 0.00 H new ATOM 96 N LYS A 6 -6.635 -5.571 1.720 1.00 0.00 N ATOM 97 CA LYS A 6 -5.930 -6.717 1.142 1.00 0.00 C ATOM 98 C LYS A 6 -5.545 -6.447 -0.311 1.00 0.00 C ATOM 99 O LYS A 6 -6.402 -6.117 -1.140 1.00 0.00 O ATOM 100 CB LYS A 6 -6.791 -7.981 1.229 1.00 0.00 C ATOM 101 CG LYS A 6 -6.668 -8.712 2.556 1.00 0.00 C ATOM 102 CD LYS A 6 -7.425 -10.031 2.533 1.00 0.00 C ATOM 103 CE LYS A 6 -7.096 -10.885 3.747 1.00 0.00 C ATOM 104 NZ LYS A 6 -7.845 -12.172 3.739 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.580 -5.437 1.360 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.018 -6.872 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.835 -7.711 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.509 -8.659 0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.617 -8.898 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.054 -8.082 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.497 -9.836 2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.176 -10.578 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.025 -11.088 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.334 -10.332 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.593 -12.725 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.867 -11.979 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.599 -12.712 2.885 1.00 0.00 H new ATOM 118 N THR A 7 -4.246 -6.587 -0.603 1.00 0.00 N ATOM 119 CA THR A 7 -3.712 -6.368 -1.950 1.00 0.00 C ATOM 120 C THR A 7 -3.610 -7.687 -2.727 1.00 0.00 C ATOM 121 O THR A 7 -3.684 -8.771 -2.139 1.00 0.00 O ATOM 122 CB THR A 7 -2.317 -5.691 -1.910 1.00 0.00 C ATOM 123 OG1 THR A 7 -2.075 -5.108 -0.623 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.214 -4.607 -2.968 1.00 0.00 C ATOM 0 H THR A 7 -3.541 -6.854 0.084 1.00 0.00 H new ATOM 0 HA THR A 7 -4.410 -5.703 -2.459 1.00 0.00 H new ATOM 0 HB THR A 7 -1.571 -6.461 -2.107 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.851 -5.814 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.227 -4.146 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.363 -5.046 -3.954 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.977 -3.850 -2.789 1.00 0.00 H new ATOM 132 N LEU A 8 -3.421 -7.578 -4.055 1.00 0.00 N ATOM 133 CA LEU A 8 -3.314 -8.744 -4.951 1.00 0.00 C ATOM 134 C LEU A 8 -2.045 -9.573 -4.688 1.00 0.00 C ATOM 135 O LEU A 8 -1.991 -10.755 -5.044 1.00 0.00 O ATOM 136 CB LEU A 8 -3.335 -8.271 -6.416 1.00 0.00 C ATOM 137 CG LEU A 8 -3.871 -9.281 -7.446 1.00 0.00 C ATOM 138 CD1 LEU A 8 -4.517 -8.550 -8.613 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.757 -10.189 -7.951 1.00 0.00 C ATOM 0 H LEU A 8 -3.338 -6.682 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.168 -9.391 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.940 -7.366 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.320 -7.995 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.621 -9.900 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.892 -9.276 -9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.344 -7.941 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.779 -7.909 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.163 -10.893 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.982 -9.586 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.328 -10.739 -7.113 1.00 0.00 H new ATOM 151 N THR A 9 -1.038 -8.950 -4.060 1.00 0.00 N ATOM 152 CA THR A 9 0.233 -9.623 -3.753 1.00 0.00 C ATOM 153 C THR A 9 0.167 -10.385 -2.417 1.00 0.00 C ATOM 154 O THR A 9 1.079 -11.154 -2.097 1.00 0.00 O ATOM 155 CB THR A 9 1.413 -8.615 -3.705 1.00 0.00 C ATOM 156 OG1 THR A 9 1.145 -7.493 -4.558 1.00 0.00 O ATOM 157 CG2 THR A 9 2.718 -9.273 -4.147 1.00 0.00 C ATOM 0 H THR A 9 -1.079 -7.978 -3.754 1.00 0.00 H new ATOM 0 HA THR A 9 0.405 -10.337 -4.558 1.00 0.00 H new ATOM 0 HB THR A 9 1.517 -8.279 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.813 -6.794 -4.398 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.526 -8.543 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.947 -10.108 -3.485 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.614 -9.638 -5.169 1.00 0.00 H new ATOM 165 N GLY A 10 -0.913 -10.165 -1.650 1.00 0.00 N ATOM 166 CA GLY A 10 -1.081 -10.830 -0.360 1.00 0.00 C ATOM 167 C GLY A 10 -0.479 -10.031 0.784 1.00 0.00 C ATOM 168 O GLY A 10 0.225 -10.586 1.634 1.00 0.00 O ATOM 0 H GLY A 10 -1.674 -9.535 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.143 -10.988 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.614 -11.814 -0.398 1.00 0.00 H new ATOM 172 N LYS A 11 -0.766 -8.729 0.793 1.00 0.00 N ATOM 173 CA LYS A 11 -0.258 -7.814 1.812 1.00 0.00 C ATOM 174 C LYS A 11 -1.398 -6.986 2.401 1.00 0.00 C ATOM 175 O LYS A 11 -2.145 -6.336 1.664 1.00 0.00 O ATOM 176 CB LYS A 11 0.787 -6.885 1.190 1.00 0.00 C ATOM 177 CG LYS A 11 2.035 -6.709 2.035 1.00 0.00 C ATOM 178 CD LYS A 11 3.032 -5.781 1.353 1.00 0.00 C ATOM 179 CE LYS A 11 4.301 -5.612 2.172 1.00 0.00 C ATOM 180 NZ LYS A 11 5.162 -6.829 2.136 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.357 -8.280 0.093 1.00 0.00 H new ATOM 0 HA LYS A 11 0.200 -8.396 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.073 -7.278 0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.335 -5.908 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.764 -6.303 3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.499 -7.680 2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.285 -6.179 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.570 -4.807 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.865 -4.759 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.037 -5.386 3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.999 -6.680 2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.624 -7.646 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.465 -7.011 1.158 1.00 0.00 H new ATOM 194 N GLU A 12 -1.540 -7.026 3.731 1.00 0.00 N ATOM 195 CA GLU A 12 -2.578 -6.254 4.419 1.00 0.00 C ATOM 196 C GLU A 12 -2.049 -4.862 4.781 1.00 0.00 C ATOM 197 O GLU A 12 -1.137 -4.735 5.603 1.00 0.00 O ATOM 198 CB GLU A 12 -3.062 -6.989 5.680 1.00 0.00 C ATOM 199 CG GLU A 12 -3.963 -8.181 5.391 1.00 0.00 C ATOM 200 CD GLU A 12 -4.443 -8.869 6.655 1.00 0.00 C ATOM 201 OE1 GLU A 12 -5.507 -8.474 7.176 1.00 0.00 O ATOM 202 OE2 GLU A 12 -3.756 -9.801 7.121 1.00 0.00 O1- ATOM 0 H GLU A 12 -0.951 -7.583 4.349 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.427 -6.143 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.195 -7.330 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.600 -6.285 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.825 -7.848 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.423 -8.899 4.774 1.00 0.00 H new ATOM 209 N ILE A 13 -2.648 -3.825 4.173 1.00 0.00 N ATOM 210 CA ILE A 13 -2.249 -2.427 4.402 1.00 0.00 C ATOM 211 C ILE A 13 -3.013 -1.885 5.623 1.00 0.00 C ATOM 212 O ILE A 13 -4.198 -2.190 5.799 1.00 0.00 O ATOM 213 CB ILE A 13 -2.598 -1.538 3.166 1.00 0.00 C ATOM 214 CG1 ILE A 13 -1.853 -2.041 1.914 1.00 0.00 C ATOM 215 CG2 ILE A 13 -2.288 -0.058 3.429 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.599 -1.795 0.612 1.00 0.00 C ATOM 0 H ILE A 13 -3.418 -3.931 3.513 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.172 -2.396 4.569 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.670 -1.619 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.880 -1.552 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.668 -3.110 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.544 0.530 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.874 0.291 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.226 0.058 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.010 -2.177 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.561 -2.307 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.761 -0.725 0.482 1.00 0.00 H new ATOM 228 N GLU A 14 -2.334 -1.089 6.451 1.00 0.00 N ATOM 229 CA GLU A 14 -2.951 -0.514 7.649 1.00 0.00 C ATOM 230 C GLU A 14 -3.249 0.972 7.456 1.00 0.00 C ATOM 231 O GLU A 14 -2.332 1.779 7.271 1.00 0.00 O ATOM 232 CB GLU A 14 -2.043 -0.720 8.867 1.00 0.00 C ATOM 233 CG GLU A 14 -2.053 -2.142 9.409 1.00 0.00 C ATOM 234 CD GLU A 14 -1.118 -2.323 10.588 1.00 0.00 C ATOM 235 OE1 GLU A 14 0.072 -2.628 10.363 1.00 0.00 O ATOM 236 OE2 GLU A 14 -1.576 -2.160 11.739 1.00 0.00 O1- ATOM 0 H GLU A 14 -1.358 -0.828 6.315 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.896 -1.029 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.022 -0.452 8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.353 -0.038 9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.067 -2.405 9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.768 -2.832 8.615 1.00 0.00 H new ATOM 243 N ILE A 15 -4.541 1.323 7.499 1.00 0.00 N ATOM 244 CA ILE A 15 -4.976 2.717 7.337 1.00 0.00 C ATOM 245 C ILE A 15 -6.005 3.115 8.380 1.00 0.00 C ATOM 246 O ILE A 15 -6.671 2.258 8.973 1.00 0.00 O ATOM 247 CB ILE A 15 -5.572 3.040 5.937 1.00 0.00 C ATOM 248 CG1 ILE A 15 -6.121 1.792 5.218 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.530 3.745 5.093 1.00 0.00 C ATOM 250 CD1 ILE A 15 -7.243 2.098 4.237 1.00 0.00 C ATOM 0 H ILE A 15 -5.303 0.661 7.645 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.058 3.292 7.460 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.427 3.700 6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.306 1.303 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.484 1.084 5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.948 3.971 4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.232 4.672 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.659 3.100 4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.579 1.173 3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.075 2.559 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.879 2.781 3.470 1.00 0.00 H new ATOM 262 N ASP A 16 -6.129 4.430 8.589 1.00 0.00 N ATOM 263 CA ASP A 16 -7.082 4.972 9.544 1.00 0.00 C ATOM 264 C ASP A 16 -8.033 5.965 8.869 1.00 0.00 C ATOM 265 O ASP A 16 -7.612 7.033 8.410 1.00 0.00 O ATOM 266 CB ASP A 16 -6.364 5.615 10.751 1.00 0.00 C ATOM 267 CG ASP A 16 -5.307 6.644 10.363 1.00 0.00 C ATOM 268 OD1 ASP A 16 -5.658 7.835 10.234 1.00 0.00 O ATOM 269 OD2 ASP A 16 -4.134 6.254 10.191 1.00 0.00 O1- ATOM 0 H ASP A 16 -5.575 5.136 8.104 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.680 4.143 9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.106 6.094 11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.893 4.830 11.342 1.00 0.00 H new ATOM 274 N ILE A 17 -9.315 5.589 8.809 1.00 0.00 N ATOM 275 CA ILE A 17 -10.354 6.424 8.191 1.00 0.00 C ATOM 276 C ILE A 17 -11.682 6.315 8.949 1.00 0.00 C ATOM 277 O ILE A 17 -11.893 5.366 9.712 1.00 0.00 O ATOM 278 CB ILE A 17 -10.575 6.081 6.682 1.00 0.00 C ATOM 279 CG1 ILE A 17 -10.645 4.560 6.423 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.473 6.703 5.835 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.046 3.989 6.502 1.00 0.00 C ATOM 0 H ILE A 17 -9.661 4.706 9.183 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.995 7.451 8.251 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.540 6.501 6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.232 4.350 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.013 4.048 7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.638 6.457 4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.485 7.786 5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.506 6.312 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.013 2.917 6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.456 4.166 7.496 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.679 4.473 5.758 1.00 0.00 H new ATOM 293 N GLU A 18 -12.568 7.293 8.727 1.00 0.00 N ATOM 294 CA GLU A 18 -13.881 7.326 9.377 1.00 0.00 C ATOM 295 C GLU A 18 -14.960 6.707 8.474 1.00 0.00 C ATOM 296 O GLU A 18 -14.835 6.763 7.247 1.00 0.00 O ATOM 297 CB GLU A 18 -14.265 8.765 9.736 1.00 0.00 C ATOM 298 CG GLU A 18 -13.511 9.324 10.934 1.00 0.00 C ATOM 299 CD GLU A 18 -13.917 10.746 11.265 1.00 0.00 C ATOM 300 OE1 GLU A 18 -14.862 10.924 12.062 1.00 0.00 O1- ATOM 301 OE2 GLU A 18 -13.291 11.683 10.727 1.00 0.00 O ATOM 0 H GLU A 18 -12.396 8.077 8.097 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.816 6.736 10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.082 9.405 8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.335 8.805 9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.690 8.688 11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.440 9.293 10.732 1.00 0.00 H new ATOM 308 N PRO A 19 -16.041 6.103 9.064 1.00 0.00 N ATOM 309 CA PRO A 19 -17.133 5.475 8.282 1.00 0.00 C ATOM 310 C PRO A 19 -17.970 6.473 7.461 1.00 0.00 C ATOM 311 O PRO A 19 -18.680 6.072 6.531 1.00 0.00 O ATOM 312 CB PRO A 19 -18.007 4.805 9.354 1.00 0.00 C ATOM 313 CG PRO A 19 -17.711 5.538 10.618 1.00 0.00 C ATOM 314 CD PRO A 19 -16.275 5.966 10.525 1.00 0.00 C ATOM 0 HA PRO A 19 -16.728 4.790 7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.064 4.873 9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.770 3.745 9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.368 6.400 10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.872 4.899 11.486 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.103 6.907 11.048 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.608 5.228 10.970 1.00 0.00 H new ATOM 322 N THR A 20 -17.871 7.765 7.810 1.00 0.00 N ATOM 323 CA THR A 20 -18.616 8.829 7.118 1.00 0.00 C ATOM 324 C THR A 20 -17.872 9.347 5.868 1.00 0.00 C ATOM 325 O THR A 20 -18.389 10.210 5.149 1.00 0.00 O ATOM 326 CB THR A 20 -18.964 10.011 8.081 1.00 0.00 C ATOM 327 OG1 THR A 20 -19.684 11.033 7.377 1.00 0.00 O ATOM 328 CG2 THR A 20 -17.723 10.627 8.737 1.00 0.00 C ATOM 0 H THR A 20 -17.280 8.099 8.571 1.00 0.00 H new ATOM 0 HA THR A 20 -19.550 8.380 6.781 1.00 0.00 H new ATOM 0 HB THR A 20 -19.584 9.592 8.874 1.00 0.00 H new ATOM 0 HG1 THR A 20 -19.477 10.979 6.421 1.00 0.00 H new ATOM 0 HG21 THR A 20 -18.026 11.442 9.394 1.00 0.00 H new ATOM 0 HG22 THR A 20 -17.203 9.866 9.319 1.00 0.00 H new ATOM 0 HG23 THR A 20 -17.057 11.012 7.965 1.00 0.00 H new ATOM 336 N ASP A 21 -16.668 8.810 5.618 1.00 0.00 N ATOM 337 CA ASP A 21 -15.856 9.202 4.459 1.00 0.00 C ATOM 338 C ASP A 21 -16.246 8.395 3.219 1.00 0.00 C ATOM 339 O ASP A 21 -16.799 7.296 3.335 1.00 0.00 O ATOM 340 CB ASP A 21 -14.366 9.012 4.763 1.00 0.00 C ATOM 341 CG ASP A 21 -13.821 10.083 5.688 1.00 0.00 C ATOM 342 OD1 ASP A 21 -13.866 9.883 6.919 1.00 0.00 O ATOM 343 OD2 ASP A 21 -13.349 11.122 5.180 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.235 8.099 6.207 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.045 10.256 4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.213 8.033 5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.804 9.022 3.829 1.00 0.00 H new ATOM 348 N LYS A 22 -15.949 8.948 2.035 1.00 0.00 N ATOM 349 CA LYS A 22 -16.274 8.293 0.762 1.00 0.00 C ATOM 350 C LYS A 22 -15.178 7.318 0.336 1.00 0.00 C ATOM 351 O LYS A 22 -13.995 7.528 0.633 1.00 0.00 O ATOM 352 CB LYS A 22 -16.499 9.328 -0.348 1.00 0.00 C ATOM 353 CG LYS A 22 -17.750 10.180 -0.166 1.00 0.00 C ATOM 354 CD LYS A 22 -18.368 10.554 -1.503 1.00 0.00 C ATOM 355 CE LYS A 22 -19.531 11.518 -1.328 1.00 0.00 C ATOM 356 NZ LYS A 22 -20.133 11.904 -2.634 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.483 9.850 1.933 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.195 7.732 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.630 9.985 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.562 8.810 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.479 9.635 0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.498 11.086 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.610 11.008 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.714 9.653 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.293 11.058 -0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.186 12.412 -0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.922 12.562 -2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.413 12.366 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.485 11.054 -3.119 1.00 0.00 H new ATOM 370 N VAL A 23 -15.596 6.249 -0.363 1.00 0.00 N ATOM 371 CA VAL A 23 -14.681 5.200 -0.871 1.00 0.00 C ATOM 372 C VAL A 23 -13.520 5.804 -1.686 1.00 0.00 C ATOM 373 O VAL A 23 -12.387 5.328 -1.593 1.00 0.00 O ATOM 374 CB VAL A 23 -15.421 4.142 -1.755 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.594 2.864 -1.895 1.00 0.00 C ATOM 376 CG2 VAL A 23 -16.800 3.798 -1.199 1.00 0.00 C ATOM 0 H VAL A 23 -16.576 6.083 -0.594 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.284 4.701 0.013 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.551 4.594 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.134 2.147 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.637 3.099 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.421 2.433 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.278 3.060 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.695 3.389 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.412 4.699 -1.162 1.00 0.00 H new ATOM 386 N GLU A 24 -13.814 6.865 -2.460 1.00 0.00 N ATOM 387 CA GLU A 24 -12.804 7.547 -3.297 1.00 0.00 C ATOM 388 C GLU A 24 -11.684 8.178 -2.452 1.00 0.00 C ATOM 389 O GLU A 24 -10.517 8.190 -2.865 1.00 0.00 O ATOM 390 CB GLU A 24 -13.456 8.608 -4.211 1.00 0.00 C ATOM 391 CG GLU A 24 -14.374 9.607 -3.506 1.00 0.00 C ATOM 392 CD GLU A 24 -14.893 10.683 -4.440 1.00 0.00 C ATOM 393 OE1 GLU A 24 -14.221 11.727 -4.575 1.00 0.00 O1- ATOM 394 OE2 GLU A 24 -15.971 10.480 -5.037 1.00 0.00 O ATOM 0 H GLU A 24 -14.747 7.272 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.350 6.782 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.665 9.162 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.030 8.095 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.218 9.073 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.832 10.075 -2.684 1.00 0.00 H new ATOM 401 N ARG A 25 -12.050 8.686 -1.262 1.00 0.00 N ATOM 402 CA ARG A 25 -11.083 9.308 -0.343 1.00 0.00 C ATOM 403 C ARG A 25 -10.119 8.260 0.213 1.00 0.00 C ATOM 404 O ARG A 25 -8.913 8.512 0.339 1.00 0.00 O ATOM 405 CB ARG A 25 -11.807 10.027 0.805 1.00 0.00 C ATOM 406 CG ARG A 25 -12.491 11.331 0.395 1.00 0.00 C ATOM 407 CD ARG A 25 -11.547 12.527 0.476 1.00 0.00 C ATOM 408 NE ARG A 25 -11.269 12.922 1.863 1.00 0.00 N ATOM 409 CZ ARG A 25 -10.390 13.868 2.227 1.00 0.00 C ATOM 410 NH1 ARG A 25 -9.684 14.538 1.318 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -10.219 14.142 3.512 1.00 0.00 N ATOM 0 H ARG A 25 -13.009 8.678 -0.915 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.509 10.046 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.554 9.355 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.088 10.240 1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.869 11.237 -0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.352 11.506 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.610 12.283 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.984 13.370 -0.059 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.781 12.442 2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.807 14.335 0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.020 15.254 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.754 13.635 4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.552 14.860 3.796 1.00 0.00 H new ATOM 425 N ILE A 26 -10.666 7.075 0.527 1.00 0.00 N ATOM 426 CA ILE A 26 -9.873 5.948 1.031 1.00 0.00 C ATOM 427 C ILE A 26 -8.893 5.481 -0.064 1.00 0.00 C ATOM 428 O ILE A 26 -7.756 5.100 0.231 1.00 0.00 O ATOM 429 CB ILE A 26 -10.787 4.768 1.498 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.793 5.261 2.559 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.954 3.611 2.066 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.123 4.527 2.559 1.00 0.00 C ATOM 0 H ILE A 26 -11.662 6.874 0.439 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.309 6.282 1.902 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.332 4.401 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.339 5.162 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.979 6.323 2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.617 2.806 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.274 3.241 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.378 3.963 2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.766 4.940 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.604 4.646 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.954 3.468 2.753 1.00 0.00 H new ATOM 444 N LYS A 27 -9.348 5.562 -1.331 1.00 0.00 N ATOM 445 CA LYS A 27 -8.532 5.180 -2.500 1.00 0.00 C ATOM 446 C LYS A 27 -7.328 6.115 -2.642 1.00 0.00 C ATOM 447 O LYS A 27 -6.235 5.677 -3.012 1.00 0.00 O ATOM 448 CB LYS A 27 -9.360 5.218 -3.793 1.00 0.00 C ATOM 449 CG LYS A 27 -10.612 4.361 -3.766 1.00 0.00 C ATOM 450 CD LYS A 27 -11.214 4.211 -5.154 1.00 0.00 C ATOM 451 CE LYS A 27 -12.182 3.045 -5.211 1.00 0.00 C ATOM 452 NZ LYS A 27 -12.792 2.892 -6.561 1.00 0.00 N1+ ATOM 0 H LYS A 27 -10.283 5.891 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.183 4.160 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.646 6.250 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.731 4.893 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.372 3.377 -3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.346 4.808 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.731 5.130 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.418 4.062 -5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.660 2.127 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.970 3.191 -4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.254 1.963 -6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.497 3.642 -6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.051 2.964 -7.287 1.00 0.00 H new ATOM 466 N GLU A 28 -7.548 7.411 -2.342 1.00 0.00 N ATOM 467 CA GLU A 28 -6.483 8.427 -2.391 1.00 0.00 C ATOM 468 C GLU A 28 -5.411 8.121 -1.336 1.00 0.00 C ATOM 469 O GLU A 28 -4.206 8.248 -1.600 1.00 0.00 O ATOM 470 CB GLU A 28 -7.060 9.830 -2.164 1.00 0.00 C ATOM 471 CG GLU A 28 -7.858 10.366 -3.344 1.00 0.00 C ATOM 472 CD GLU A 28 -8.406 11.757 -3.093 1.00 0.00 C ATOM 473 OE1 GLU A 28 -7.701 12.739 -3.411 1.00 0.00 O1- ATOM 474 OE2 GLU A 28 -9.538 11.866 -2.577 1.00 0.00 O ATOM 0 H GLU A 28 -8.458 7.777 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.026 8.398 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.701 9.810 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.243 10.518 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.223 10.384 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.684 9.687 -3.558 1.00 0.00 H new ATOM 481 N ARG A 29 -5.872 7.694 -0.141 1.00 0.00 N ATOM 482 CA ARG A 29 -4.978 7.316 0.968 1.00 0.00 C ATOM 483 C ARG A 29 -4.091 6.134 0.557 1.00 0.00 C ATOM 484 O ARG A 29 -2.916 6.052 0.937 1.00 0.00 O ATOM 485 CB ARG A 29 -5.790 6.941 2.219 1.00 0.00 C ATOM 486 CG ARG A 29 -6.505 8.113 2.888 1.00 0.00 C ATOM 487 CD ARG A 29 -5.583 8.888 3.823 1.00 0.00 C ATOM 488 NE ARG A 29 -6.275 10.004 4.478 1.00 0.00 N ATOM 489 CZ ARG A 29 -5.738 10.783 5.428 1.00 0.00 C ATOM 490 NH1 ARG A 29 -4.493 10.587 5.859 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -6.457 11.767 5.951 1.00 0.00 N ATOM 0 H ARG A 29 -6.864 7.603 0.078 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.348 8.174 1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.531 6.190 1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.121 6.478 2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.893 8.785 2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.362 7.741 3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.185 8.213 4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.732 9.270 3.259 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.233 10.201 4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.930 9.833 5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.103 11.191 6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.412 11.927 5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.055 12.364 6.674 1.00 0.00 H new ATOM 505 N VAL A 30 -4.676 5.225 -0.244 1.00 0.00 N ATOM 506 CA VAL A 30 -3.964 4.045 -0.753 1.00 0.00 C ATOM 507 C VAL A 30 -2.863 4.479 -1.741 1.00 0.00 C ATOM 508 O VAL A 30 -1.717 4.036 -1.630 1.00 0.00 O ATOM 509 CB VAL A 30 -4.936 3.032 -1.445 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.239 1.716 -1.775 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.159 2.750 -0.579 1.00 0.00 C ATOM 0 H VAL A 30 -5.646 5.289 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.511 3.539 0.099 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.259 3.501 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.947 1.040 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.404 1.906 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.867 1.261 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.812 2.043 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.841 2.326 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.700 3.679 -0.400 1.00 0.00 H new ATOM 521 N GLU A 31 -3.224 5.389 -2.671 1.00 0.00 N ATOM 522 CA GLU A 31 -2.297 5.915 -3.695 1.00 0.00 C ATOM 523 C GLU A 31 -1.005 6.469 -3.067 1.00 0.00 C ATOM 524 O GLU A 31 0.098 6.143 -3.516 1.00 0.00 O ATOM 525 CB GLU A 31 -3.003 7.013 -4.522 1.00 0.00 C ATOM 526 CG GLU A 31 -2.211 7.505 -5.736 1.00 0.00 C ATOM 527 CD GLU A 31 -2.839 8.713 -6.407 1.00 0.00 C ATOM 528 OE1 GLU A 31 -2.934 9.775 -5.755 1.00 0.00 O1- ATOM 529 OE2 GLU A 31 -3.230 8.598 -7.587 1.00 0.00 O ATOM 0 H GLU A 31 -4.165 5.779 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.014 5.090 -4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.965 6.630 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.210 7.863 -3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.197 7.756 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.129 6.696 -6.461 1.00 0.00 H new ATOM 536 N GLU A 32 -1.161 7.291 -2.020 1.00 0.00 N ATOM 537 CA GLU A 32 -0.017 7.899 -1.319 1.00 0.00 C ATOM 538 C GLU A 32 0.808 6.869 -0.525 1.00 0.00 C ATOM 539 O GLU A 32 2.007 7.074 -0.310 1.00 0.00 O ATOM 540 CB GLU A 32 -0.467 9.061 -0.404 1.00 0.00 C ATOM 541 CG GLU A 32 -1.640 8.747 0.523 1.00 0.00 C ATOM 542 CD GLU A 32 -2.031 9.930 1.389 1.00 0.00 C ATOM 543 OE1 GLU A 32 -1.449 10.083 2.483 1.00 0.00 O1- ATOM 544 OE2 GLU A 32 -2.919 10.702 0.971 1.00 0.00 O ATOM 0 H GLU A 32 -2.070 7.552 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 32 0.635 8.303 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.382 9.372 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.738 9.911 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.498 8.439 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.378 7.904 1.162 1.00 0.00 H new ATOM 551 N LYS A 33 0.164 5.769 -0.095 1.00 0.00 N ATOM 552 CA LYS A 33 0.847 4.727 0.685 1.00 0.00 C ATOM 553 C LYS A 33 1.615 3.725 -0.194 1.00 0.00 C ATOM 554 O LYS A 33 2.776 3.418 0.091 1.00 0.00 O ATOM 555 CB LYS A 33 -0.158 3.966 1.547 1.00 0.00 C ATOM 556 CG LYS A 33 0.064 4.107 3.043 1.00 0.00 C ATOM 557 CD LYS A 33 -0.572 2.946 3.782 1.00 0.00 C ATOM 558 CE LYS A 33 -0.436 3.080 5.287 1.00 0.00 C ATOM 559 NZ LYS A 33 -1.463 3.997 5.859 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.822 5.581 -0.274 1.00 0.00 H new ATOM 0 HA LYS A 33 1.575 5.241 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.162 4.315 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.117 2.909 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.132 4.142 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.362 5.047 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.628 2.885 3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.108 2.014 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.530 2.097 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.559 3.453 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.998 4.706 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.969 4.476 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.139 3.449 6.428 1.00 0.00 H new ATOM 573 N GLU A 34 0.965 3.223 -1.257 1.00 0.00 N ATOM 574 CA GLU A 34 1.583 2.229 -2.146 1.00 0.00 C ATOM 575 C GLU A 34 2.174 2.852 -3.417 1.00 0.00 C ATOM 576 O GLU A 34 3.224 2.408 -3.888 1.00 0.00 O ATOM 577 CB GLU A 34 0.563 1.150 -2.518 1.00 0.00 C ATOM 578 CG GLU A 34 1.133 -0.262 -2.499 1.00 0.00 C ATOM 579 CD GLU A 34 0.083 -1.319 -2.777 1.00 0.00 C ATOM 580 OE1 GLU A 34 -0.556 -1.791 -1.814 1.00 0.00 O ATOM 581 OE2 GLU A 34 -0.102 -1.675 -3.961 1.00 0.00 O1- ATOM 0 H GLU A 34 0.016 3.489 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 34 2.411 1.783 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.277 1.203 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.170 1.361 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.927 -0.339 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.587 -0.453 -1.527 1.00 0.00 H new ATOM 588 N GLY A 35 1.496 3.863 -3.973 1.00 0.00 N ATOM 589 CA GLY A 35 1.983 4.518 -5.183 1.00 0.00 C ATOM 590 C GLY A 35 1.214 4.127 -6.438 1.00 0.00 C ATOM 591 O GLY A 35 1.803 4.037 -7.519 1.00 0.00 O ATOM 0 H GLY A 35 0.621 4.238 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.922 5.598 -5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.036 4.272 -5.321 1.00 0.00 H new ATOM 595 N ILE A 36 -0.098 3.897 -6.295 1.00 0.00 N ATOM 596 CA ILE A 36 -0.957 3.526 -7.428 1.00 0.00 C ATOM 597 C ILE A 36 -2.208 4.427 -7.448 1.00 0.00 C ATOM 598 O ILE A 36 -2.829 4.617 -6.401 1.00 0.00 O ATOM 599 CB ILE A 36 -1.395 2.024 -7.380 1.00 0.00 C ATOM 600 CG1 ILE A 36 -0.170 1.100 -7.223 1.00 0.00 C ATOM 601 CG2 ILE A 36 -2.184 1.636 -8.643 1.00 0.00 C ATOM 602 CD1 ILE A 36 -0.502 -0.277 -6.678 1.00 0.00 C ATOM 0 H ILE A 36 -0.589 3.962 -5.403 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.373 3.667 -8.337 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.044 1.899 -6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.315 0.989 -8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.550 1.578 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.475 0.587 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.077 2.257 -8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.560 1.789 -9.523 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.411 -0.866 -6.597 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.959 -0.178 -5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.198 -0.777 -7.352 1.00 0.00 H new ATOM 614 N PRO A 37 -2.612 4.982 -8.640 1.00 0.00 N ATOM 615 CA PRO A 37 -3.801 5.861 -8.759 1.00 0.00 C ATOM 616 C PRO A 37 -5.099 5.210 -8.236 1.00 0.00 C ATOM 617 O PRO A 37 -5.208 3.980 -8.237 1.00 0.00 O ATOM 618 CB PRO A 37 -3.915 6.128 -10.270 1.00 0.00 C ATOM 619 CG PRO A 37 -3.065 5.090 -10.919 1.00 0.00 C ATOM 620 CD PRO A 37 -1.953 4.817 -9.957 1.00 0.00 C ATOM 0 HA PRO A 37 -3.679 6.761 -8.156 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.950 6.055 -10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.569 7.131 -10.519 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.638 4.185 -11.122 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.678 5.443 -11.875 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.546 3.814 -10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.126 5.515 -10.086 1.00 0.00 H new ATOM 628 N PRO A 38 -6.101 6.025 -7.781 1.00 0.00 N ATOM 629 CA PRO A 38 -7.377 5.500 -7.253 1.00 0.00 C ATOM 630 C PRO A 38 -8.304 4.930 -8.338 1.00 0.00 C ATOM 631 O PRO A 38 -8.974 3.913 -8.118 1.00 0.00 O ATOM 632 CB PRO A 38 -8.015 6.724 -6.583 1.00 0.00 C ATOM 633 CG PRO A 38 -7.441 7.910 -7.281 1.00 0.00 C ATOM 634 CD PRO A 38 -6.060 7.512 -7.730 1.00 0.00 C ATOM 0 HA PRO A 38 -7.210 4.659 -6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.101 6.701 -6.678 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.789 6.749 -5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.059 8.196 -8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.399 8.771 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.822 7.937 -8.705 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.299 7.865 -7.034 1.00 0.00 H new ATOM 642 N GLN A 39 -8.310 5.576 -9.515 1.00 0.00 N ATOM 643 CA GLN A 39 -9.155 5.164 -10.652 1.00 0.00 C ATOM 644 C GLN A 39 -8.781 3.779 -11.203 1.00 0.00 C ATOM 645 O GLN A 39 -9.553 3.184 -11.962 1.00 0.00 O ATOM 646 CB GLN A 39 -9.072 6.202 -11.775 1.00 0.00 C ATOM 647 CG GLN A 39 -9.821 7.494 -11.478 1.00 0.00 C ATOM 648 CD GLN A 39 -9.720 8.500 -12.608 1.00 0.00 C ATOM 649 OE1 GLN A 39 -8.808 9.326 -12.639 1.00 0.00 O ATOM 650 NE2 GLN A 39 -10.660 8.434 -13.543 1.00 0.00 N ATOM 0 H GLN A 39 -7.733 6.395 -9.707 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.176 5.099 -10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.024 6.436 -11.963 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.470 5.765 -12.691 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.871 7.266 -11.292 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.424 7.938 -10.565 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.397 7.732 -13.476 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.645 9.085 -14.328 1.00 0.00 H new ATOM 659 N GLN A 40 -7.602 3.274 -10.816 1.00 0.00 N ATOM 660 CA GLN A 40 -7.134 1.961 -11.270 1.00 0.00 C ATOM 661 C GLN A 40 -7.172 0.924 -10.138 1.00 0.00 C ATOM 662 O GLN A 40 -6.700 -0.213 -10.341 1.00 0.00 O ATOM 663 CB GLN A 40 -5.712 2.047 -11.853 1.00 0.00 C ATOM 664 CG GLN A 40 -5.544 3.083 -12.960 1.00 0.00 C ATOM 665 CD GLN A 40 -4.285 2.866 -13.778 1.00 0.00 C ATOM 666 OE1 GLN A 40 -3.220 3.392 -13.455 1.00 0.00 O ATOM 667 NE2 GLN A 40 -4.402 2.086 -14.846 1.00 0.00 N ATOM 0 H GLN A 40 -6.957 3.756 -10.190 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.816 1.636 -12.056 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.016 2.279 -11.047 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.433 1.068 -12.243 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.411 3.048 -13.619 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.519 4.079 -12.519 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.304 1.670 -15.077 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.590 1.903 -15.435 1.00 0.00 H new ATOM 676 N GLN A 41 -7.772 1.312 -8.973 1.00 0.00 N ATOM 677 CA GLN A 41 -7.899 0.444 -7.771 1.00 0.00 C ATOM 678 C GLN A 41 -9.377 0.257 -7.347 1.00 0.00 C ATOM 679 O GLN A 41 -10.063 1.254 -7.090 1.00 0.00 O ATOM 680 CB GLN A 41 -7.126 1.053 -6.601 1.00 0.00 C ATOM 681 CG GLN A 41 -5.622 0.900 -6.715 1.00 0.00 C ATOM 682 CD GLN A 41 -4.897 1.395 -5.478 1.00 0.00 C ATOM 683 OE1 GLN A 41 -4.571 0.612 -4.586 1.00 0.00 O ATOM 684 NE2 GLN A 41 -4.656 2.700 -5.409 1.00 0.00 N ATOM 0 H GLN A 41 -8.180 2.238 -8.846 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.488 -0.531 -8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.370 2.113 -6.529 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.460 0.586 -5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.377 -0.149 -6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.268 1.452 -7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.944 3.313 -6.172 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.183 3.089 -4.593 1.00 0.00 H new ATOM 693 N ARG A 42 -9.884 -1.012 -7.282 1.00 0.00 N ATOM 694 CA ARG A 42 -11.273 -1.240 -6.860 1.00 0.00 C ATOM 695 C ARG A 42 -11.327 -1.767 -5.428 1.00 0.00 C ATOM 696 O ARG A 42 -10.379 -2.396 -4.959 1.00 0.00 O ATOM 697 CB ARG A 42 -11.980 -2.220 -7.799 1.00 0.00 C ATOM 698 CG ARG A 42 -13.233 -1.650 -8.445 1.00 0.00 C ATOM 699 CD ARG A 42 -13.877 -2.651 -9.389 1.00 0.00 C ATOM 700 NE ARG A 42 -15.091 -2.115 -10.015 1.00 0.00 N ATOM 701 CZ ARG A 42 -15.868 -2.789 -10.876 1.00 0.00 C ATOM 702 NH1 ARG A 42 -15.576 -4.039 -11.236 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -16.945 -2.204 -11.381 1.00 0.00 N ATOM 0 H ARG A 42 -9.360 -1.856 -7.511 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.790 -0.281 -6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.285 -2.526 -8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.246 -3.117 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.946 -1.367 -7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.980 -0.742 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.163 -2.930 -10.164 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.123 -3.560 -8.840 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.364 -1.161 -9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.749 -4.499 -10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.179 -4.535 -11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.178 -1.247 -11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.540 -2.710 -12.036 1.00 0.00 H new ATOM 717 N LEU A 43 -12.440 -1.491 -4.742 1.00 0.00 N ATOM 718 CA LEU A 43 -12.639 -1.939 -3.364 1.00 0.00 C ATOM 719 C LEU A 43 -13.871 -2.832 -3.271 1.00 0.00 C ATOM 720 O LEU A 43 -14.989 -2.406 -3.582 1.00 0.00 O ATOM 721 CB LEU A 43 -12.759 -0.729 -2.420 1.00 0.00 C ATOM 722 CG LEU A 43 -12.426 -0.991 -0.942 1.00 0.00 C ATOM 723 CD1 LEU A 43 -10.919 -1.005 -0.710 1.00 0.00 C ATOM 724 CD2 LEU A 43 -13.085 0.058 -0.060 1.00 0.00 C ATOM 0 H LEU A 43 -13.220 -0.956 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.773 -2.524 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.101 0.059 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.778 -0.346 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.817 -1.974 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.715 -1.192 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.465 -1.792 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.498 -0.041 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.841 -0.139 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.721 1.047 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.166 0.019 -0.194 1.00 0.00 H new ATOM 736 N ILE A 44 -13.640 -4.074 -2.847 1.00 0.00 N ATOM 737 CA ILE A 44 -14.700 -5.073 -2.721 1.00 0.00 C ATOM 738 C ILE A 44 -14.835 -5.536 -1.267 1.00 0.00 C ATOM 739 O ILE A 44 -13.831 -5.732 -0.574 1.00 0.00 O ATOM 740 CB ILE A 44 -14.427 -6.322 -3.621 1.00 0.00 C ATOM 741 CG1 ILE A 44 -13.680 -5.972 -4.945 1.00 0.00 C ATOM 742 CG2 ILE A 44 -15.722 -7.090 -3.914 1.00 0.00 C ATOM 743 CD1 ILE A 44 -14.358 -4.966 -5.871 1.00 0.00 C ATOM 0 H ILE A 44 -12.716 -4.415 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.624 -4.597 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.761 -6.967 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.694 -5.586 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.525 -6.896 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.499 -7.953 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -16.165 -7.428 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.424 -6.436 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.739 -4.809 -6.754 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.332 -5.350 -6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.488 -4.019 -5.347 1.00 0.00 H new ATOM 755 N TYR A 45 -16.087 -5.705 -0.819 1.00 0.00 N ATOM 756 CA TYR A 45 -16.387 -6.165 0.543 1.00 0.00 C ATOM 757 C TYR A 45 -17.627 -7.060 0.536 1.00 0.00 C ATOM 758 O TYR A 45 -18.619 -6.744 -0.128 1.00 0.00 O ATOM 759 CB TYR A 45 -16.590 -4.967 1.496 1.00 0.00 C ATOM 760 CG TYR A 45 -16.639 -5.327 2.978 1.00 0.00 C ATOM 761 CD1 TYR A 45 -15.521 -5.835 3.638 1.00 0.00 C ATOM 762 CD2 TYR A 45 -17.806 -5.152 3.713 1.00 0.00 C ATOM 763 CE1 TYR A 45 -15.568 -6.157 4.981 1.00 0.00 C ATOM 764 CE2 TYR A 45 -17.859 -5.471 5.057 1.00 0.00 C ATOM 765 CZ TYR A 45 -16.739 -5.974 5.685 1.00 0.00 C ATOM 766 OH TYR A 45 -16.789 -6.292 7.022 1.00 0.00 O ATOM 0 H TYR A 45 -16.915 -5.528 -1.387 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.538 -6.745 0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -15.781 -4.254 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.518 -4.462 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.602 -5.979 3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -18.686 -4.760 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.692 -6.550 5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -18.774 -5.327 5.613 1.00 0.00 H new ATOM 0 HH TYR A 45 -17.685 -6.103 7.370 1.00 0.00 H new ATOM 776 N SER A 46 -17.550 -8.187 1.285 1.00 0.00 N ATOM 777 CA SER A 46 -18.645 -9.189 1.410 1.00 0.00 C ATOM 778 C SER A 46 -18.846 -9.997 0.120 1.00 0.00 C ATOM 779 O SER A 46 -18.981 -11.224 0.161 1.00 0.00 O ATOM 780 CB SER A 46 -19.979 -8.537 1.823 1.00 0.00 C ATOM 781 OG SER A 46 -19.843 -7.822 3.039 1.00 0.00 O ATOM 0 H SER A 46 -16.720 -8.431 1.825 1.00 0.00 H new ATOM 0 HA SER A 46 -18.331 -9.873 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 46 -20.316 -7.862 1.036 1.00 0.00 H new ATOM 0 HB3 SER A 46 -20.744 -9.305 1.933 1.00 0.00 H new ATOM 0 HG SER A 46 -19.192 -7.098 2.922 1.00 0.00 H new ATOM 787 N GLY A 47 -18.863 -9.289 -1.010 1.00 0.00 N ATOM 788 CA GLY A 47 -19.058 -9.902 -2.313 1.00 0.00 C ATOM 789 C GLY A 47 -19.599 -8.904 -3.321 1.00 0.00 C ATOM 790 O GLY A 47 -19.761 -9.229 -4.501 1.00 0.00 O ATOM 0 H GLY A 47 -18.742 -8.277 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.111 -10.306 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.749 -10.740 -2.222 1.00 0.00 H new ATOM 794 N LYS A 48 -19.877 -7.686 -2.839 1.00 0.00 N ATOM 795 CA LYS A 48 -20.401 -6.607 -3.672 1.00 0.00 C ATOM 796 C LYS A 48 -19.309 -5.579 -3.972 1.00 0.00 C ATOM 797 O LYS A 48 -18.321 -5.482 -3.237 1.00 0.00 O ATOM 798 CB LYS A 48 -21.588 -5.924 -2.978 1.00 0.00 C ATOM 799 CG LYS A 48 -22.860 -6.761 -2.968 1.00 0.00 C ATOM 800 CD LYS A 48 -23.994 -6.041 -2.258 1.00 0.00 C ATOM 801 CE LYS A 48 -25.262 -6.880 -2.242 1.00 0.00 C ATOM 802 NZ LYS A 48 -26.379 -6.185 -1.546 1.00 0.00 N1+ ATOM 0 H LYS A 48 -19.744 -7.426 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.742 -7.038 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.310 -5.690 -1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -21.792 -4.976 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -23.156 -6.987 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -22.666 -7.713 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -23.696 -5.810 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -24.191 -5.091 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -25.559 -7.109 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -25.062 -7.831 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.225 -6.790 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -26.106 -5.989 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.588 -5.290 -2.032 1.00 0.00 H new ATOM 816 N GLN A 49 -19.499 -4.814 -5.054 1.00 0.00 N ATOM 817 CA GLN A 49 -18.536 -3.784 -5.467 1.00 0.00 C ATOM 818 C GLN A 49 -18.890 -2.436 -4.838 1.00 0.00 C ATOM 819 O GLN A 49 -20.066 -2.063 -4.787 1.00 0.00 O ATOM 820 CB GLN A 49 -18.510 -3.642 -6.998 1.00 0.00 C ATOM 821 CG GLN A 49 -18.088 -4.903 -7.750 1.00 0.00 C ATOM 822 CD GLN A 49 -19.240 -5.864 -7.980 1.00 0.00 C ATOM 823 OE1 GLN A 49 -19.506 -6.740 -7.157 1.00 0.00 O ATOM 824 NE2 GLN A 49 -19.929 -5.703 -9.103 1.00 0.00 N ATOM 0 H GLN A 49 -20.314 -4.889 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.549 -4.094 -5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -19.503 -3.348 -7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.829 -2.833 -7.263 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.659 -4.621 -8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.304 -5.411 -7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.673 -4.963 -9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.715 -6.319 -9.312 1.00 0.00 H new ATOM 833 N MET A 50 -17.867 -1.715 -4.364 1.00 0.00 N ATOM 834 CA MET A 50 -18.058 -0.405 -3.735 1.00 0.00 C ATOM 835 C MET A 50 -17.869 0.716 -4.755 1.00 0.00 C ATOM 836 O MET A 50 -16.857 0.757 -5.462 1.00 0.00 O ATOM 837 CB MET A 50 -17.082 -0.227 -2.565 1.00 0.00 C ATOM 838 CG MET A 50 -17.336 -1.180 -1.401 1.00 0.00 C ATOM 839 SD MET A 50 -16.288 -0.841 0.027 1.00 0.00 S ATOM 840 CE MET A 50 -17.201 0.482 0.815 1.00 0.00 C ATOM 0 H MET A 50 -16.894 -2.020 -4.405 1.00 0.00 H new ATOM 0 HA MET A 50 -19.077 -0.355 -3.352 1.00 0.00 H new ATOM 0 HB2 MET A 50 -16.064 -0.374 -2.927 1.00 0.00 H new ATOM 0 HB3 MET A 50 -17.147 0.799 -2.203 1.00 0.00 H new ATOM 0 HG2 MET A 50 -18.382 -1.110 -1.102 1.00 0.00 H new ATOM 0 HG3 MET A 50 -17.168 -2.204 -1.734 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.503 1.187 1.267 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.808 0.998 0.071 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.848 0.067 1.588 1.00 0.00 H new ATOM 850 N ASN A 51 -18.855 1.618 -4.824 1.00 0.00 N ATOM 851 CA ASN A 51 -18.825 2.743 -5.764 1.00 0.00 C ATOM 852 C ASN A 51 -18.247 4.000 -5.116 1.00 0.00 C ATOM 853 O ASN A 51 -18.409 4.223 -3.912 1.00 0.00 O ATOM 854 CB ASN A 51 -20.233 3.035 -6.293 1.00 0.00 C ATOM 855 CG ASN A 51 -20.737 1.956 -7.235 1.00 0.00 C ATOM 856 OD1 ASN A 51 -21.363 0.986 -6.809 1.00 0.00 O ATOM 857 ND2 ASN A 51 -20.463 2.122 -8.525 1.00 0.00 N ATOM 0 H ASN A 51 -19.688 1.589 -4.236 1.00 0.00 H new ATOM 0 HA ASN A 51 -18.178 2.459 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -20.921 3.129 -5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -20.231 3.994 -6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.775 1.429 -9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.941 2.942 -8.834 1.00 0.00 H new ATOM 864 N ASP A 52 -17.597 4.834 -5.946 1.00 0.00 N ATOM 865 CA ASP A 52 -16.967 6.090 -5.495 1.00 0.00 C ATOM 866 C ASP A 52 -17.993 7.117 -4.989 1.00 0.00 C ATOM 867 O ASP A 52 -17.623 8.093 -4.329 1.00 0.00 O ATOM 868 CB ASP A 52 -16.146 6.704 -6.633 1.00 0.00 C ATOM 869 CG ASP A 52 -14.884 5.916 -6.934 1.00 0.00 C ATOM 870 OD1 ASP A 52 -13.840 6.211 -6.315 1.00 0.00 O1- ATOM 871 OD2 ASP A 52 -14.942 5.006 -7.786 1.00 0.00 O ATOM 0 H ASP A 52 -17.493 4.659 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.317 5.836 -4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.760 6.756 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.877 7.727 -6.371 1.00 0.00 H new ATOM 876 N GLU A 53 -19.275 6.884 -5.302 1.00 0.00 N ATOM 877 CA GLU A 53 -20.361 7.771 -4.876 1.00 0.00 C ATOM 878 C GLU A 53 -20.941 7.327 -3.527 1.00 0.00 C ATOM 879 O GLU A 53 -21.742 8.047 -2.923 1.00 0.00 O ATOM 880 CB GLU A 53 -21.470 7.805 -5.935 1.00 0.00 C ATOM 881 CG GLU A 53 -21.101 8.584 -7.190 1.00 0.00 C ATOM 882 CD GLU A 53 -22.212 8.591 -8.220 1.00 0.00 C ATOM 883 OE1 GLU A 53 -22.239 7.677 -9.070 1.00 0.00 O ATOM 884 OE2 GLU A 53 -23.055 9.512 -8.179 1.00 0.00 O1- ATOM 0 H GLU A 53 -19.584 6.083 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.948 8.773 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.723 6.782 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.365 8.246 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.857 9.611 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -20.204 8.150 -7.632 1.00 0.00 H new ATOM 891 N LYS A 54 -20.521 6.142 -3.063 1.00 0.00 N ATOM 892 CA LYS A 54 -20.987 5.589 -1.789 1.00 0.00 C ATOM 893 C LYS A 54 -19.919 5.755 -0.704 1.00 0.00 C ATOM 894 O LYS A 54 -18.780 6.131 -0.998 1.00 0.00 O ATOM 895 CB LYS A 54 -21.360 4.107 -1.954 1.00 0.00 C ATOM 896 CG LYS A 54 -22.587 3.871 -2.823 1.00 0.00 C ATOM 897 CD LYS A 54 -23.098 2.444 -2.687 1.00 0.00 C ATOM 898 CE LYS A 54 -24.331 2.201 -3.547 1.00 0.00 C ATOM 899 NZ LYS A 54 -23.997 2.105 -4.997 1.00 0.00 N1+ ATOM 0 H LYS A 54 -19.855 5.547 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.876 6.139 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -20.513 3.576 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.537 3.675 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -23.375 4.570 -2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.341 4.073 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -22.311 1.747 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.337 2.241 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.819 1.281 -3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -25.044 3.011 -3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -24.866 1.939 -5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -23.555 2.992 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -23.337 1.316 -5.150 1.00 0.00 H new ATOM 913 N THR A 55 -20.295 5.471 0.552 1.00 0.00 N ATOM 914 CA THR A 55 -19.378 5.589 1.682 1.00 0.00 C ATOM 915 C THR A 55 -19.224 4.251 2.399 1.00 0.00 C ATOM 916 O THR A 55 -20.042 3.343 2.221 1.00 0.00 O ATOM 917 CB THR A 55 -19.847 6.653 2.703 1.00 0.00 C ATOM 918 OG1 THR A 55 -21.180 6.366 3.147 1.00 0.00 O ATOM 919 CG2 THR A 55 -19.800 8.057 2.116 1.00 0.00 C ATOM 0 H THR A 55 -21.232 5.157 0.805 1.00 0.00 H new ATOM 0 HA THR A 55 -18.418 5.901 1.271 1.00 0.00 H new ATOM 0 HB THR A 55 -19.162 6.613 3.550 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.709 6.025 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 55 -20.137 8.775 2.863 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.778 8.294 1.820 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.452 8.109 1.244 1.00 0.00 H new ATOM 927 N ALA A 56 -18.177 4.150 3.229 1.00 0.00 N ATOM 928 CA ALA A 56 -17.885 2.931 3.994 1.00 0.00 C ATOM 929 C ALA A 56 -19.035 2.550 4.939 1.00 0.00 C ATOM 930 O ALA A 56 -19.264 1.364 5.201 1.00 0.00 O ATOM 931 CB ALA A 56 -16.599 3.115 4.774 1.00 0.00 C ATOM 0 H ALA A 56 -17.512 4.907 3.388 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.770 2.111 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.384 2.209 5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.780 3.313 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.707 3.955 5.460 1.00 0.00 H new ATOM 937 N ALA A 57 -19.757 3.571 5.435 1.00 0.00 N ATOM 938 CA ALA A 57 -20.901 3.368 6.338 1.00 0.00 C ATOM 939 C ALA A 57 -22.041 2.608 5.648 1.00 0.00 C ATOM 940 O ALA A 57 -22.761 1.839 6.294 1.00 0.00 O ATOM 941 CB ALA A 57 -21.403 4.706 6.859 1.00 0.00 C ATOM 0 H ALA A 57 -19.565 4.550 5.223 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.557 2.761 7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.249 4.542 7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -20.603 5.207 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.717 5.328 6.021 1.00 0.00 H new ATOM 947 N ASP A 58 -22.172 2.807 4.321 1.00 0.00 N ATOM 948 CA ASP A 58 -23.211 2.147 3.515 1.00 0.00 C ATOM 949 C ASP A 58 -23.022 0.624 3.472 1.00 0.00 C ATOM 950 O ASP A 58 -23.947 -0.113 3.120 1.00 0.00 O ATOM 951 CB ASP A 58 -23.205 2.709 2.094 1.00 0.00 C ATOM 952 CG ASP A 58 -23.850 4.079 2.007 1.00 0.00 C ATOM 953 OD1 ASP A 58 -25.090 4.159 2.123 1.00 0.00 O1- ATOM 954 OD2 ASP A 58 -23.115 5.070 1.822 1.00 0.00 O ATOM 0 H ASP A 58 -21.564 3.425 3.784 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.172 2.350 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.177 2.772 1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.731 2.021 1.433 1.00 0.00 H new ATOM 959 N TYR A 59 -21.814 0.174 3.832 1.00 0.00 N ATOM 960 CA TYR A 59 -21.480 -1.248 3.859 1.00 0.00 C ATOM 961 C TYR A 59 -21.231 -1.720 5.301 1.00 0.00 C ATOM 962 O TYR A 59 -20.597 -2.757 5.530 1.00 0.00 O ATOM 963 CB TYR A 59 -20.256 -1.511 2.971 1.00 0.00 C ATOM 964 CG TYR A 59 -20.553 -1.436 1.488 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.564 -0.216 0.819 1.00 0.00 C ATOM 966 CD2 TYR A 59 -20.824 -2.586 0.756 1.00 0.00 C ATOM 967 CE1 TYR A 59 -20.837 -0.147 -0.534 1.00 0.00 C ATOM 968 CE2 TYR A 59 -21.096 -2.523 -0.596 1.00 0.00 C ATOM 969 CZ TYR A 59 -21.103 -1.302 -1.237 1.00 0.00 C ATOM 970 OH TYR A 59 -21.375 -1.237 -2.584 1.00 0.00 O ATOM 0 H TYR A 59 -21.046 0.785 4.111 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.322 -1.818 3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.479 -0.786 3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -19.855 -2.498 3.203 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.356 0.692 1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.822 -3.545 1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -20.842 0.808 -1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.303 -3.427 -1.150 1.00 0.00 H new ATOM 0 HH TYR A 59 -20.693 -1.737 -3.080 1.00 0.00 H new ATOM 980 N LYS A 60 -21.768 -0.941 6.276 1.00 0.00 N ATOM 981 CA LYS A 60 -21.664 -1.215 7.738 1.00 0.00 C ATOM 982 C LYS A 60 -20.247 -1.632 8.202 1.00 0.00 C ATOM 983 O LYS A 60 -20.094 -2.449 9.120 1.00 0.00 O ATOM 984 CB LYS A 60 -22.742 -2.238 8.216 1.00 0.00 C ATOM 985 CG LYS A 60 -22.888 -3.520 7.383 1.00 0.00 C ATOM 986 CD LYS A 60 -21.803 -4.546 7.700 1.00 0.00 C ATOM 987 CE LYS A 60 -21.942 -5.794 6.840 1.00 0.00 C ATOM 988 NZ LYS A 60 -21.534 -5.553 5.426 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.294 -0.092 6.068 1.00 0.00 H new ATOM 0 HA LYS A 60 -21.864 -0.259 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.511 -2.523 9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.707 -1.732 8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -23.867 -3.961 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.848 -3.268 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.822 -4.100 7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.859 -4.821 8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -21.332 -6.593 7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -22.977 -6.136 6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -22.353 -5.693 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -21.185 -4.578 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -20.780 -6.219 5.164 1.00 0.00 H new ATOM 1002 N ILE A 61 -19.217 -1.042 7.578 1.00 0.00 N ATOM 1003 CA ILE A 61 -17.817 -1.333 7.925 1.00 0.00 C ATOM 1004 C ILE A 61 -17.401 -0.520 9.162 1.00 0.00 C ATOM 1005 O ILE A 61 -17.680 0.680 9.246 1.00 0.00 O ATOM 1006 CB ILE A 61 -16.850 -1.026 6.743 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.384 -1.626 5.429 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.447 -1.571 7.032 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.044 -0.812 4.195 1.00 0.00 C ATOM 0 H ILE A 61 -19.327 -0.359 6.829 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.748 -2.398 8.144 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.790 0.057 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -16.981 -2.632 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.467 -1.723 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.789 -1.345 6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -15.055 -1.106 7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.498 -2.651 7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.455 -1.301 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.471 0.187 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.961 -0.736 4.096 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.737 -1.194 10.106 1.00 0.00 N ATOM 1022 CA LEU A 62 -16.286 -0.559 11.347 1.00 0.00 C ATOM 1023 C LEU A 62 -14.798 -0.821 11.604 1.00 0.00 C ATOM 1024 O LEU A 62 -14.183 -1.677 10.949 1.00 0.00 O ATOM 1025 CB LEU A 62 -17.126 -1.069 12.533 1.00 0.00 C ATOM 1026 CG LEU A 62 -18.604 -0.654 12.527 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -19.449 -1.698 13.242 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -18.787 0.710 13.182 1.00 0.00 C ATOM 0 H LEU A 62 -16.499 -2.183 10.033 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.421 0.518 11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.073 -2.158 12.551 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.671 -0.713 13.457 1.00 0.00 H new ATOM 0 HG LEU A 62 -18.934 -0.583 11.490 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -20.495 -1.390 13.230 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -19.347 -2.658 12.735 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -19.111 -1.795 14.274 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.842 0.983 13.166 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.439 0.668 14.214 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -18.211 1.456 12.635 1.00 0.00 H new ATOM 1040 N GLY A 63 -14.231 -0.077 12.575 1.00 0.00 N ATOM 1041 CA GLY A 63 -12.820 -0.212 12.940 1.00 0.00 C ATOM 1042 C GLY A 63 -12.450 -1.625 13.360 1.00 0.00 C ATOM 1043 O GLY A 63 -12.798 -2.064 14.460 1.00 0.00 O ATOM 0 H GLY A 63 -14.736 0.623 13.118 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.201 0.084 12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.594 0.475 13.755 1.00 0.00 H new ATOM 1047 N GLY A 64 -11.744 -2.319 12.469 1.00 0.00 N ATOM 1048 CA GLY A 64 -11.340 -3.692 12.720 1.00 0.00 C ATOM 1049 C GLY A 64 -11.699 -4.629 11.575 1.00 0.00 C ATOM 1050 O GLY A 64 -11.286 -5.792 11.580 1.00 0.00 O ATOM 0 H GLY A 64 -11.442 -1.949 11.568 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.263 -3.725 12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.815 -4.045 13.635 1.00 0.00 H new ATOM 1054 N SER A 65 -12.470 -4.122 10.593 1.00 0.00 N ATOM 1055 CA SER A 65 -12.881 -4.918 9.433 1.00 0.00 C ATOM 1056 C SER A 65 -11.797 -4.929 8.357 1.00 0.00 C ATOM 1057 O SER A 65 -11.047 -3.960 8.210 1.00 0.00 O ATOM 1058 CB SER A 65 -14.186 -4.372 8.853 1.00 0.00 C ATOM 1059 OG SER A 65 -15.239 -4.451 9.800 1.00 0.00 O ATOM 0 H SER A 65 -12.818 -3.163 10.585 1.00 0.00 H new ATOM 0 HA SER A 65 -13.038 -5.943 9.769 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.046 -3.335 8.547 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.454 -4.935 7.959 1.00 0.00 H new ATOM 0 HG SER A 65 -15.211 -3.667 10.387 1.00 0.00 H new ATOM 1065 N VAL A 66 -11.728 -6.037 7.618 1.00 0.00 N ATOM 1066 CA VAL A 66 -10.742 -6.202 6.548 1.00 0.00 C ATOM 1067 C VAL A 66 -11.415 -5.994 5.188 1.00 0.00 C ATOM 1068 O VAL A 66 -12.316 -6.750 4.809 1.00 0.00 O ATOM 1069 CB VAL A 66 -10.057 -7.604 6.598 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -8.838 -7.666 5.678 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -9.644 -7.973 8.021 1.00 0.00 C ATOM 0 H VAL A 66 -12.347 -6.838 7.742 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.964 -5.452 6.693 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.795 -8.326 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.387 -8.656 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.147 -7.470 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.110 -6.916 5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.170 -8.955 8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.941 -7.231 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.526 -7.997 8.661 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.969 -4.959 4.470 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.517 -4.630 3.153 1.00 0.00 C ATOM 1083 C LEU A 67 -10.600 -5.134 2.042 1.00 0.00 C ATOM 1084 O LEU A 67 -9.375 -5.141 2.197 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.727 -3.110 3.019 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.669 -2.463 4.054 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -12.395 -0.971 4.162 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.131 -2.696 3.685 1.00 0.00 C ATOM 0 H LEU A 67 -10.227 -4.333 4.781 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.482 -5.127 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.755 -2.622 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.118 -2.904 2.023 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.477 -2.932 5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.068 -0.530 4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.363 -0.812 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.557 -0.500 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.774 -2.229 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.334 -2.259 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.332 -3.767 3.652 1.00 0.00 H new ATOM 1100 N HIS A 68 -11.207 -5.553 0.927 1.00 0.00 N ATOM 1101 CA HIS A 68 -10.460 -6.073 -0.220 1.00 0.00 C ATOM 1102 C HIS A 68 -10.311 -5.016 -1.309 1.00 0.00 C ATOM 1103 O HIS A 68 -11.209 -4.197 -1.518 1.00 0.00 O ATOM 1104 CB HIS A 68 -11.156 -7.312 -0.793 1.00 0.00 C ATOM 1105 CG HIS A 68 -11.089 -8.513 0.101 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -10.209 -9.555 -0.102 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -11.801 -8.836 1.207 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -10.382 -10.466 0.839 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -11.342 -10.053 1.644 1.00 0.00 N ATOM 0 H HIS A 68 -12.218 -5.541 0.796 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.465 -6.348 0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.202 -7.073 -0.986 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.703 -7.560 -1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.584 -8.246 1.660 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.832 -11.391 0.933 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -11.688 -10.557 2.460 1.00 0.00 H new ATOM 1118 N LEU A 69 -9.161 -5.048 -1.993 1.00 0.00 N ATOM 1119 CA LEU A 69 -8.860 -4.108 -3.075 1.00 0.00 C ATOM 1120 C LEU A 69 -8.325 -4.864 -4.293 1.00 0.00 C ATOM 1121 O LEU A 69 -7.360 -5.626 -4.179 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.845 -3.059 -2.590 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.625 -1.858 -3.518 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -7.530 -0.573 -2.712 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -6.369 -2.060 -4.352 1.00 0.00 C ATOM 0 H LEU A 69 -8.418 -5.723 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.774 -3.592 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.172 -2.688 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.886 -3.554 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.479 -1.777 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.374 0.269 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.454 -0.424 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.693 -0.641 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.225 -1.200 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.507 -2.163 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.474 -2.962 -4.955 1.00 0.00 H new ATOM 1137 N VAL A 70 -8.959 -4.647 -5.458 1.00 0.00 N ATOM 1138 CA VAL A 70 -8.546 -5.323 -6.694 1.00 0.00 C ATOM 1139 C VAL A 70 -8.771 -4.487 -7.949 1.00 0.00 C ATOM 1140 O VAL A 70 -9.899 -4.199 -8.341 1.00 0.00 O ATOM 1141 CB VAL A 70 -9.228 -6.697 -6.903 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -8.249 -7.810 -6.585 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -10.494 -6.833 -6.074 1.00 0.00 C ATOM 0 H VAL A 70 -9.752 -4.014 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.476 -5.472 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.525 -6.772 -7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.734 -8.775 -6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.384 -7.733 -7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.924 -7.723 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.941 -7.811 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.249 -6.731 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.201 -6.054 -6.359 1.00 0.00 H new ATOM 1153 N LEU A 71 -7.703 -3.853 -8.372 1.00 0.00 N ATOM 1154 CA LEU A 71 -7.657 -3.117 -9.637 1.00 0.00 C ATOM 1155 C LEU A 71 -6.227 -3.003 -10.171 1.00 0.00 C ATOM 1156 O LEU A 71 -5.266 -3.294 -9.452 1.00 0.00 O ATOM 1157 CB LEU A 71 -8.459 -1.828 -9.678 1.00 0.00 C ATOM 1158 CG LEU A 71 -9.601 -1.773 -10.715 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -10.481 -0.555 -10.471 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -9.062 -1.735 -12.144 1.00 0.00 C ATOM 0 H LEU A 71 -6.827 -3.827 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.205 -3.732 -10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.885 -1.657 -8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.774 -1.004 -9.877 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.193 -2.681 -10.596 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.281 -0.530 -11.210 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.912 -0.612 -9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.881 0.351 -10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.895 -1.697 -12.846 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.437 -0.851 -12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.469 -2.630 -12.333 1.00 0.00 H new ATOM 1172 N ALA A 72 -6.094 -2.567 -11.437 1.00 0.00 N ATOM 1173 CA ALA A 72 -4.792 -2.461 -12.145 1.00 0.00 C ATOM 1174 C ALA A 72 -4.084 -3.813 -12.292 1.00 0.00 C ATOM 1175 O ALA A 72 -4.035 -4.607 -11.347 1.00 0.00 O ATOM 1176 CB ALA A 72 -3.870 -1.448 -11.465 1.00 0.00 C ATOM 0 H ALA A 72 -6.888 -2.275 -12.007 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.021 -2.107 -13.150 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.926 -1.394 -12.007 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.345 -0.467 -11.465 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.681 -1.760 -10.438 1.00 0.00 H new ATOM 1182 N LEU A 73 -3.536 -4.054 -13.486 1.00 0.00 N ATOM 1183 CA LEU A 73 -2.823 -5.298 -13.783 1.00 0.00 C ATOM 1184 C LEU A 73 -1.424 -5.004 -14.315 1.00 0.00 C ATOM 1185 O LEU A 73 -1.222 -4.024 -15.038 1.00 0.00 O ATOM 1186 CB LEU A 73 -3.606 -6.136 -14.804 1.00 0.00 C ATOM 1187 CG LEU A 73 -4.948 -6.695 -14.311 1.00 0.00 C ATOM 1188 CD1 LEU A 73 -5.924 -6.829 -15.468 1.00 0.00 C ATOM 1189 CD2 LEU A 73 -4.754 -8.045 -13.627 1.00 0.00 C ATOM 0 H LEU A 73 -3.573 -3.399 -14.267 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.732 -5.865 -12.857 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.790 -5.523 -15.686 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.979 -6.970 -15.120 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.360 -5.996 -13.583 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.870 -7.227 -15.101 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.091 -5.850 -15.918 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.511 -7.506 -16.216 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.718 -8.422 -13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.318 -8.751 -14.333 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.087 -7.928 -12.773 1.00 0.00 H new ATOM 1201 N ARG A 74 -0.466 -5.862 -13.947 1.00 0.00 N ATOM 1202 CA ARG A 74 0.928 -5.709 -14.377 1.00 0.00 C ATOM 1203 C ARG A 74 1.239 -6.594 -15.587 1.00 0.00 C ATOM 1204 O ARG A 74 1.880 -6.143 -16.540 1.00 0.00 O ATOM 1205 CB ARG A 74 1.890 -6.040 -13.222 1.00 0.00 C ATOM 1206 CG ARG A 74 1.929 -4.991 -12.113 1.00 0.00 C ATOM 1207 CD ARG A 74 0.832 -5.214 -11.078 1.00 0.00 C ATOM 1208 NE ARG A 74 0.856 -4.195 -10.023 1.00 0.00 N ATOM 1209 CZ ARG A 74 -0.006 -4.135 -8.997 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -0.979 -5.034 -8.863 1.00 0.00 N1+ ATOM 1211 NH2 ARG A 74 0.111 -3.167 -8.100 1.00 0.00 N ATOM 0 H ARG A 74 -0.632 -6.672 -13.350 1.00 0.00 H new ATOM 0 HA ARG A 74 1.070 -4.669 -14.671 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.602 -6.998 -12.789 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.895 -6.162 -13.626 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.902 -5.018 -11.622 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.820 -3.998 -12.549 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.140 -5.202 -11.572 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.950 -6.201 -10.631 1.00 0.00 H new ATOM 0 HE ARG A 74 1.581 -3.480 -10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.078 -5.784 -9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.625 -4.973 -8.076 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.853 -2.473 -8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.541 -3.115 -7.317 1.00 0.00 H new ATOM 1225 N GLY A 75 0.779 -7.852 -15.537 1.00 0.00 N ATOM 1226 CA GLY A 75 1.011 -8.788 -16.626 1.00 0.00 C ATOM 1227 C GLY A 75 -0.250 -9.094 -17.410 1.00 0.00 C ATOM 1228 O GLY A 75 -1.141 -8.247 -17.514 1.00 0.00 O ATOM 0 H GLY A 75 0.248 -8.235 -14.755 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.763 -8.377 -17.300 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.418 -9.715 -16.223 1.00 0.00 H new ATOM 1232 N GLY A 76 -0.316 -10.311 -17.960 1.00 0.00 N ATOM 1233 CA GLY A 76 -1.474 -10.732 -18.737 1.00 0.00 C ATOM 1234 C GLY A 76 -1.588 -12.242 -18.839 1.00 0.00 C ATOM 1235 O GLY A 76 -1.161 -12.937 -17.893 1.00 0.00 O ATOM 0 H GLY A 76 0.418 -11.015 -17.879 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.379 -10.333 -18.279 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.409 -10.307 -19.739 1.00 0.00 H new TER 1239 GLY A 76 ATOM 1240 N GLY B 77 22.963 -1.706 -14.992 1.00 0.00 N ATOM 1241 CA GLY B 77 21.719 -0.911 -15.185 1.00 0.00 C ATOM 1242 C GLY B 77 21.999 0.560 -15.422 1.00 0.00 C ATOM 1243 O GLY B 77 22.658 0.918 -16.403 1.00 0.00 O ATOM 0 HA2 GLY B 77 21.163 -1.313 -16.032 1.00 0.00 H new ATOM 0 HA3 GLY B 77 21.083 -1.019 -14.306 1.00 0.00 H new ATOM 1249 N GLY B 78 21.495 1.406 -14.517 1.00 0.00 N ATOM 1250 CA GLY B 78 21.693 2.844 -14.630 1.00 0.00 C ATOM 1251 C GLY B 78 21.500 3.563 -13.309 1.00 0.00 C ATOM 1252 O GLY B 78 22.375 4.318 -12.877 1.00 0.00 O ATOM 0 H GLY B 78 20.951 1.116 -13.705 1.00 0.00 H new ATOM 0 HA2 GLY B 78 22.698 3.041 -15.003 1.00 0.00 H new ATOM 0 HA3 GLY B 78 20.995 3.247 -15.364 1.00 0.00 H new ATOM 1256 N ILE B 79 20.350 3.323 -12.672 1.00 0.00 N ATOM 1257 CA ILE B 79 20.022 3.946 -11.385 1.00 0.00 C ATOM 1258 C ILE B 79 19.569 2.901 -10.364 1.00 0.00 C ATOM 1259 O ILE B 79 18.987 1.877 -10.733 1.00 0.00 O ATOM 1260 CB ILE B 79 18.937 5.060 -11.515 1.00 0.00 C ATOM 1261 CG1 ILE B 79 17.743 4.611 -12.388 1.00 0.00 C ATOM 1262 CG2 ILE B 79 19.562 6.330 -12.081 1.00 0.00 C ATOM 1263 CD1 ILE B 79 16.396 5.080 -11.874 1.00 0.00 C ATOM 0 H ILE B 79 19.627 2.698 -13.029 1.00 0.00 H new ATOM 0 HA ILE B 79 20.940 4.417 -11.034 1.00 0.00 H new ATOM 0 HB ILE B 79 18.547 5.260 -10.517 1.00 0.00 H new ATOM 0 HG12 ILE B 79 17.885 4.986 -13.401 1.00 0.00 H new ATOM 0 HG13 ILE B 79 17.739 3.523 -12.449 1.00 0.00 H new ATOM 0 HG21 ILE B 79 18.799 7.103 -12.169 1.00 0.00 H new ATOM 0 HG22 ILE B 79 20.353 6.675 -11.414 1.00 0.00 H new ATOM 0 HG23 ILE B 79 19.982 6.121 -13.065 1.00 0.00 H new ATOM 0 HD11 ILE B 79 15.609 4.725 -12.540 1.00 0.00 H new ATOM 0 HD12 ILE B 79 16.230 4.683 -10.872 1.00 0.00 H new ATOM 0 HD13 ILE B 79 16.379 6.169 -11.840 1.00 0.00 H new ATOM 1275 N ARG B 80 19.841 3.176 -9.085 1.00 0.00 N ATOM 1276 CA ARG B 80 19.470 2.268 -7.998 1.00 0.00 C ATOM 1277 C ARG B 80 18.669 2.998 -6.923 1.00 0.00 C ATOM 1278 O ARG B 80 18.851 4.199 -6.708 1.00 0.00 O ATOM 1279 CB ARG B 80 20.722 1.627 -7.380 1.00 0.00 C ATOM 1280 CG ARG B 80 21.394 0.584 -8.273 1.00 0.00 C ATOM 1281 CD ARG B 80 20.762 -0.795 -8.115 1.00 0.00 C ATOM 1282 NE ARG B 80 21.156 -1.709 -9.193 1.00 0.00 N ATOM 1283 CZ ARG B 80 20.775 -2.992 -9.285 1.00 0.00 C ATOM 1284 NH1 ARG B 80 19.985 -3.542 -8.365 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 21.183 -3.726 -10.311 1.00 0.00 N ATOM 0 H ARG B 80 20.318 4.023 -8.777 1.00 0.00 H new ATOM 0 HA ARG B 80 18.843 1.482 -8.418 1.00 0.00 H new ATOM 0 HB2 ARG B 80 21.443 2.411 -7.150 1.00 0.00 H new ATOM 0 HB3 ARG B 80 20.448 1.158 -6.435 1.00 0.00 H new ATOM 0 HG2 ARG B 80 21.323 0.898 -9.314 1.00 0.00 H new ATOM 0 HG3 ARG B 80 22.455 0.527 -8.029 1.00 0.00 H new ATOM 0 HD2 ARG B 80 21.055 -1.220 -7.155 1.00 0.00 H new ATOM 0 HD3 ARG B 80 19.677 -0.697 -8.102 1.00 0.00 H new ATOM 0 HE ARG B 80 21.764 -1.342 -9.926 1.00 0.00 H new ATOM 0 HH11 ARG B 80 19.659 -2.986 -7.574 1.00 0.00 H new ATOM 0 HH12 ARG B 80 19.705 -4.519 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG B 80 21.784 -3.315 -11.025 1.00 0.00 H new ATOM 0 HH22 ARG B 80 20.896 -4.702 -10.386 1.00 0.00 H new ATOM 1299 N LYS B 81 17.783 2.250 -6.254 1.00 0.00 N ATOM 1300 CA LYS B 81 16.928 2.797 -5.192 1.00 0.00 C ATOM 1301 C LYS B 81 17.569 2.629 -3.805 1.00 0.00 C ATOM 1302 O LYS B 81 17.009 3.072 -2.799 1.00 0.00 O ATOM 1303 CB LYS B 81 15.556 2.107 -5.216 1.00 0.00 C ATOM 1304 CG LYS B 81 14.705 2.453 -6.432 1.00 0.00 C ATOM 1305 CD LYS B 81 13.500 1.531 -6.545 1.00 0.00 C ATOM 1306 CE LYS B 81 12.677 1.837 -7.787 1.00 0.00 C ATOM 1307 NZ LYS B 81 11.582 0.849 -7.982 1.00 0.00 N1+ ATOM 0 H LYS B 81 17.639 1.256 -6.431 1.00 0.00 H new ATOM 0 HA LYS B 81 16.807 3.864 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS B 81 15.704 1.028 -5.185 1.00 0.00 H new ATOM 0 HB3 LYS B 81 15.009 2.380 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS B 81 14.369 3.487 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS B 81 15.310 2.376 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS B 81 13.836 0.494 -6.576 1.00 0.00 H new ATOM 0 HD3 LYS B 81 12.875 1.637 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS B 81 12.253 2.838 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS B 81 13.326 1.837 -8.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 11.605 0.494 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 11.709 0.055 -7.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 10.666 1.306 -7.801 1.00 0.00 H new ATOM 1321 N THR B 82 18.762 2.009 -3.770 1.00 0.00 N ATOM 1322 CA THR B 82 19.513 1.746 -2.524 1.00 0.00 C ATOM 1323 C THR B 82 19.748 3.005 -1.679 1.00 0.00 C ATOM 1324 O THR B 82 19.620 2.966 -0.455 1.00 0.00 O ATOM 1325 CB THR B 82 20.889 1.109 -2.819 1.00 0.00 C ATOM 1326 OG1 THR B 82 21.561 1.843 -3.849 1.00 0.00 O ATOM 1327 CG2 THR B 82 20.746 -0.346 -3.238 1.00 0.00 C ATOM 0 H THR B 82 19.237 1.674 -4.608 1.00 0.00 H new ATOM 0 HA THR B 82 18.885 1.059 -1.958 1.00 0.00 H new ATOM 0 HB THR B 82 21.477 1.145 -1.902 1.00 0.00 H new ATOM 0 HG1 THR B 82 22.433 1.433 -4.028 1.00 0.00 H new ATOM 0 HG21 THR B 82 21.732 -0.765 -3.438 1.00 0.00 H new ATOM 0 HG22 THR B 82 20.268 -0.910 -2.437 1.00 0.00 H new ATOM 0 HG23 THR B 82 20.136 -0.407 -4.139 1.00 0.00 H new ATOM 1335 N ARG B 83 20.083 4.110 -2.351 1.00 0.00 N ATOM 1336 CA ARG B 83 20.379 5.393 -1.695 1.00 0.00 C ATOM 1337 C ARG B 83 19.183 6.004 -0.946 1.00 0.00 C ATOM 1338 O ARG B 83 19.354 6.527 0.153 1.00 0.00 O ATOM 1339 CB ARG B 83 20.909 6.399 -2.724 1.00 0.00 C ATOM 1340 CG ARG B 83 22.337 6.121 -3.172 1.00 0.00 C ATOM 1341 CD ARG B 83 22.799 7.120 -4.220 1.00 0.00 C ATOM 1342 NE ARG B 83 24.172 6.851 -4.665 1.00 0.00 N ATOM 1343 CZ ARG B 83 24.739 7.381 -5.758 1.00 0.00 C ATOM 1344 NH1 ARG B 83 24.068 8.222 -6.544 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 25.989 7.065 -6.065 1.00 0.00 N ATOM 0 H ARG B 83 20.158 4.143 -3.368 1.00 0.00 H new ATOM 0 HA ARG B 83 21.136 5.176 -0.942 1.00 0.00 H new ATOM 0 HB2 ARG B 83 20.256 6.391 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.860 7.401 -2.298 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.004 6.162 -2.311 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.402 5.111 -3.577 1.00 0.00 H new ATOM 0 HD2 ARG B 83 22.126 7.085 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG B 83 22.741 8.129 -3.811 1.00 0.00 H new ATOM 0 HE ARG B 83 24.736 6.214 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG B 83 23.105 8.473 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG B 83 24.517 8.615 -7.371 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.513 6.422 -5.471 1.00 0.00 H new ATOM 0 HH22 ARG B 83 26.427 7.464 -6.895 1.00 0.00 H new ATOM 1359 N GLU B 84 17.979 5.929 -1.539 1.00 0.00 N ATOM 1360 CA GLU B 84 16.774 6.520 -0.953 1.00 0.00 C ATOM 1361 C GLU B 84 16.273 5.671 0.201 1.00 0.00 C ATOM 1362 O GLU B 84 15.846 6.170 1.246 1.00 0.00 O ATOM 1363 CB GLU B 84 15.689 6.662 -2.022 1.00 0.00 C ATOM 1364 CG GLU B 84 15.876 7.868 -2.930 1.00 0.00 C ATOM 1365 CD GLU B 84 14.828 7.945 -4.022 1.00 0.00 C ATOM 1366 OE1 GLU B 84 14.974 7.230 -5.036 1.00 0.00 O ATOM 1367 OE2 GLU B 84 13.863 8.721 -3.867 1.00 0.00 O1- ATOM 0 H GLU B 84 17.819 5.460 -2.431 1.00 0.00 H new ATOM 0 HA GLU B 84 17.020 7.510 -0.568 1.00 0.00 H new ATOM 0 HB2 GLU B 84 15.673 5.759 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU B 84 14.717 6.734 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU B 84 15.839 8.778 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU B 84 16.866 7.826 -3.384 1.00 0.00 H new ATOM 1374 N THR B 85 16.349 4.368 -0.043 1.00 0.00 N ATOM 1375 CA THR B 85 15.900 3.327 0.862 1.00 0.00 C ATOM 1376 C THR B 85 16.703 3.254 2.163 1.00 0.00 C ATOM 1377 O THR B 85 16.127 3.232 3.248 1.00 0.00 O ATOM 1378 CB THR B 85 15.948 1.980 0.127 1.00 0.00 C ATOM 1379 OG1 THR B 85 17.247 1.772 -0.440 1.00 0.00 O ATOM 1380 CG2 THR B 85 14.900 1.973 -0.975 1.00 0.00 C ATOM 0 H THR B 85 16.740 3.998 -0.909 1.00 0.00 H new ATOM 0 HA THR B 85 14.880 3.571 1.160 1.00 0.00 H new ATOM 0 HB THR B 85 15.742 1.177 0.835 1.00 0.00 H new ATOM 0 HG1 THR B 85 17.633 0.946 -0.080 1.00 0.00 H new ATOM 0 HG21 THR B 85 14.930 1.018 -1.500 1.00 0.00 H new ATOM 0 HG22 THR B 85 13.912 2.116 -0.538 1.00 0.00 H new ATOM 0 HG23 THR B 85 15.106 2.780 -1.678 1.00 0.00 H new ATOM 1388 N GLU B 86 18.027 3.194 2.057 1.00 0.00 N ATOM 1389 CA GLU B 86 18.879 3.132 3.245 1.00 0.00 C ATOM 1390 C GLU B 86 18.960 4.478 3.977 1.00 0.00 C ATOM 1391 O GLU B 86 18.955 4.503 5.205 1.00 0.00 O ATOM 1392 CB GLU B 86 20.249 2.517 2.924 1.00 0.00 C ATOM 1393 CG GLU B 86 21.171 3.370 2.054 1.00 0.00 C ATOM 1394 CD GLU B 86 22.450 2.648 1.683 1.00 0.00 C ATOM 1395 OE1 GLU B 86 22.449 1.926 0.663 1.00 0.00 O ATOM 1396 OE2 GLU B 86 23.453 2.803 2.411 1.00 0.00 O1- ATOM 0 H GLU B 86 18.532 3.187 1.171 1.00 0.00 H new ATOM 0 HA GLU B 86 18.405 2.454 3.955 1.00 0.00 H new ATOM 0 HB2 GLU B 86 20.760 2.304 3.863 1.00 0.00 H new ATOM 0 HB3 GLU B 86 20.090 1.562 2.424 1.00 0.00 H new ATOM 0 HG2 GLU B 86 20.643 3.658 1.145 1.00 0.00 H new ATOM 0 HG3 GLU B 86 21.418 4.290 2.584 1.00 0.00 H new ATOM 1403 N ARG B 87 19.048 5.592 3.218 1.00 0.00 N ATOM 1404 CA ARG B 87 19.099 6.943 3.812 1.00 0.00 C ATOM 1405 C ARG B 87 17.880 7.194 4.708 1.00 0.00 C ATOM 1406 O ARG B 87 18.022 7.742 5.801 1.00 0.00 O ATOM 1407 CB ARG B 87 19.190 8.022 2.731 1.00 0.00 C ATOM 1408 CG ARG B 87 20.615 8.295 2.267 1.00 0.00 C ATOM 1409 CD ARG B 87 20.674 9.439 1.263 1.00 0.00 C ATOM 1410 NE ARG B 87 20.476 10.749 1.899 1.00 0.00 N ATOM 1411 CZ ARG B 87 20.799 11.925 1.342 1.00 0.00 C ATOM 1412 NH1 ARG B 87 21.344 11.986 0.128 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 20.575 13.049 2.009 1.00 0.00 N ATOM 0 H ARG B 87 19.085 5.582 2.199 1.00 0.00 H new ATOM 0 HA ARG B 87 19.999 6.997 4.425 1.00 0.00 H new ATOM 0 HB2 ARG B 87 18.589 7.719 1.874 1.00 0.00 H new ATOM 0 HB3 ARG B 87 18.757 8.946 3.113 1.00 0.00 H new ATOM 0 HG2 ARG B 87 21.238 8.535 3.129 1.00 0.00 H new ATOM 0 HG3 ARG B 87 21.029 7.394 1.816 1.00 0.00 H new ATOM 0 HD2 ARG B 87 21.639 9.426 0.756 1.00 0.00 H new ATOM 0 HD3 ARG B 87 19.911 9.289 0.499 1.00 0.00 H new ATOM 0 HE ARG B 87 20.063 10.765 2.832 1.00 0.00 H new ATOM 0 HH11 ARG B 87 21.522 11.128 -0.395 1.00 0.00 H new ATOM 0 HH12 ARG B 87 21.583 12.890 -0.279 1.00 0.00 H new ATOM 0 HH21 ARG B 87 20.159 13.015 2.940 1.00 0.00 H new ATOM 0 HH22 ARG B 87 20.818 13.947 1.591 1.00 0.00 H new ATOM 1427 N LEU B 88 16.688 6.763 4.241 1.00 0.00 N ATOM 1428 CA LEU B 88 15.430 6.882 5.013 1.00 0.00 C ATOM 1429 C LEU B 88 15.590 6.150 6.340 1.00 0.00 C ATOM 1430 O LEU B 88 15.452 6.693 7.437 1.00 0.00 O ATOM 1431 CB LEU B 88 14.244 6.214 4.232 1.00 0.00 C ATOM 1432 CG LEU B 88 13.924 4.729 4.627 1.00 0.00 C ATOM 1433 CD1 LEU B 88 12.930 4.618 5.780 1.00 0.00 C ATOM 1434 CD2 LEU B 88 13.448 3.889 3.466 1.00 0.00 C ATOM 0 H LEU B 88 16.570 6.326 3.327 1.00 0.00 H new ATOM 0 HA LEU B 88 15.217 7.939 5.172 1.00 0.00 H new ATOM 0 HB2 LEU B 88 13.347 6.814 4.387 1.00 0.00 H new ATOM 0 HB3 LEU B 88 14.470 6.247 3.166 1.00 0.00 H new ATOM 0 HG LEU B 88 14.882 4.331 4.960 1.00 0.00 H new ATOM 0 HD11 LEU B 88 12.750 3.567 6.005 1.00 0.00 H new ATOM 0 HD12 LEU B 88 13.338 5.113 6.661 1.00 0.00 H new ATOM 0 HD13 LEU B 88 11.991 5.094 5.498 1.00 0.00 H new ATOM 0 HD21 LEU B 88 13.245 2.875 3.810 1.00 0.00 H new ATOM 0 HD22 LEU B 88 12.536 4.321 3.054 1.00 0.00 H new ATOM 0 HD23 LEU B 88 14.218 3.864 2.695 1.00 0.00 H new ATOM 1446 N ARG B 89 15.895 4.879 6.138 1.00 0.00 N ATOM 1447 CA ARG B 89 16.057 3.875 7.165 1.00 0.00 C ATOM 1448 C ARG B 89 17.164 4.233 8.177 1.00 0.00 C ATOM 1449 O ARG B 89 17.004 4.000 9.378 1.00 0.00 O ATOM 1450 CB ARG B 89 16.253 2.515 6.440 1.00 0.00 C ATOM 1451 CG ARG B 89 16.603 1.315 7.338 1.00 0.00 C ATOM 1452 CD ARG B 89 15.483 0.956 8.313 1.00 0.00 C ATOM 1453 NE ARG B 89 15.952 0.084 9.396 1.00 0.00 N ATOM 1454 CZ ARG B 89 15.792 0.335 10.705 1.00 0.00 C ATOM 1455 NH1 ARG B 89 15.169 1.435 11.126 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 16.267 -0.521 11.598 1.00 0.00 N ATOM 0 H ARG B 89 16.043 4.504 5.201 1.00 0.00 H new ATOM 0 HA ARG B 89 15.170 3.813 7.796 1.00 0.00 H new ATOM 0 HB2 ARG B 89 15.338 2.281 5.896 1.00 0.00 H new ATOM 0 HB3 ARG B 89 17.044 2.632 5.699 1.00 0.00 H new ATOM 0 HG2 ARG B 89 16.823 0.451 6.711 1.00 0.00 H new ATOM 0 HG3 ARG B 89 17.509 1.540 7.900 1.00 0.00 H new ATOM 0 HD2 ARG B 89 15.067 1.869 8.738 1.00 0.00 H new ATOM 0 HD3 ARG B 89 14.677 0.460 7.772 1.00 0.00 H new ATOM 0 HE ARG B 89 16.435 -0.776 9.135 1.00 0.00 H new ATOM 0 HH11 ARG B 89 14.803 2.105 10.449 1.00 0.00 H new ATOM 0 HH12 ARG B 89 15.058 1.607 12.125 1.00 0.00 H new ATOM 0 HH21 ARG B 89 16.751 -1.364 11.289 1.00 0.00 H new ATOM 0 HH22 ARG B 89 16.149 -0.337 12.594 1.00 0.00 H new ATOM 1470 N ARG B 90 18.275 4.796 7.683 1.00 0.00 N ATOM 1471 CA ARG B 90 19.406 5.188 8.533 1.00 0.00 C ATOM 1472 C ARG B 90 19.086 6.431 9.395 1.00 0.00 C ATOM 1473 O ARG B 90 19.154 6.355 10.625 1.00 0.00 O ATOM 1474 CB ARG B 90 20.652 5.431 7.668 1.00 0.00 C ATOM 1475 CG ARG B 90 21.964 5.105 8.371 1.00 0.00 C ATOM 1476 CD ARG B 90 23.146 5.208 7.423 1.00 0.00 C ATOM 1477 NE ARG B 90 24.406 4.833 8.073 1.00 0.00 N ATOM 1478 CZ ARG B 90 25.132 3.748 7.767 1.00 0.00 C ATOM 1479 NH1 ARG B 90 24.741 2.901 6.815 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 26.260 3.509 8.422 1.00 0.00 N ATOM 0 H ARG B 90 18.414 4.991 6.692 1.00 0.00 H new ATOM 0 HA ARG B 90 19.602 4.367 9.223 1.00 0.00 H new ATOM 0 HB2 ARG B 90 20.577 4.829 6.762 1.00 0.00 H new ATOM 0 HB3 ARG B 90 20.668 6.475 7.356 1.00 0.00 H new ATOM 0 HG2 ARG B 90 22.108 5.787 9.209 1.00 0.00 H new ATOM 0 HG3 ARG B 90 21.915 4.098 8.785 1.00 0.00 H new ATOM 0 HD2 ARG B 90 22.977 4.563 6.561 1.00 0.00 H new ATOM 0 HD3 ARG B 90 23.222 6.228 7.047 1.00 0.00 H new ATOM 0 HE ARG B 90 24.756 5.442 8.812 1.00 0.00 H new ATOM 0 HH11 ARG B 90 23.875 3.073 6.304 1.00 0.00 H new ATOM 0 HH12 ARG B 90 25.308 2.081 6.597 1.00 0.00 H new ATOM 0 HH21 ARG B 90 26.570 4.149 9.153 1.00 0.00 H new ATOM 0 HH22 ARG B 90 26.817 2.686 8.194 1.00 0.00 H new ATOM 1494 N GLN B 91 18.741 7.570 8.752 1.00 0.00 N ATOM 1495 CA GLN B 91 18.430 8.817 9.484 1.00 0.00 C ATOM 1496 C GLN B 91 17.378 9.683 8.774 1.00 0.00 C ATOM 1497 O GLN B 91 16.542 10.306 9.435 1.00 0.00 O ATOM 1498 CB GLN B 91 19.701 9.653 9.700 1.00 0.00 C ATOM 1499 CG GLN B 91 20.603 9.125 10.807 1.00 0.00 C ATOM 1500 CD GLN B 91 21.823 9.997 11.030 1.00 0.00 C ATOM 1501 OE1 GLN B 91 22.868 9.792 10.413 1.00 0.00 O ATOM 1502 NE2 GLN B 91 21.696 10.976 11.919 1.00 0.00 N ATOM 0 H GLN B 91 18.672 7.651 7.738 1.00 0.00 H new ATOM 0 HA GLN B 91 18.016 8.506 10.443 1.00 0.00 H new ATOM 0 HB2 GLN B 91 20.266 9.686 8.768 1.00 0.00 H new ATOM 0 HB3 GLN B 91 19.415 10.678 9.935 1.00 0.00 H new ATOM 0 HG2 GLN B 91 20.034 9.059 11.734 1.00 0.00 H new ATOM 0 HG3 GLN B 91 20.924 8.114 10.558 1.00 0.00 H new ATOM 0 HE21 GLN B 91 20.811 11.110 12.408 1.00 0.00 H new ATOM 0 HE22 GLN B 91 22.484 11.594 12.113 1.00 0.00 H new ATOM 1511 N LEU B 92 17.425 9.716 7.433 1.00 0.00 N ATOM 1512 CA LEU B 92 16.496 10.521 6.612 1.00 0.00 C ATOM 1513 C LEU B 92 15.033 10.027 6.726 1.00 0.00 C ATOM 1514 O LEU B 92 14.741 9.134 7.526 1.00 0.00 O ATOM 1515 CB LEU B 92 16.970 10.508 5.146 1.00 0.00 C ATOM 1516 CG LEU B 92 16.677 11.779 4.342 1.00 0.00 C ATOM 1517 CD1 LEU B 92 17.803 12.793 4.497 1.00 0.00 C ATOM 1518 CD2 LEU B 92 16.463 11.440 2.874 1.00 0.00 C ATOM 0 H LEU B 92 18.105 9.188 6.885 1.00 0.00 H new ATOM 0 HA LEU B 92 16.506 11.543 6.990 1.00 0.00 H new ATOM 0 HB2 LEU B 92 18.046 10.332 5.133 1.00 0.00 H new ATOM 0 HB3 LEU B 92 16.502 9.664 4.640 1.00 0.00 H new ATOM 0 HG LEU B 92 15.763 12.226 4.733 1.00 0.00 H new ATOM 0 HD11 LEU B 92 17.571 13.686 3.917 1.00 0.00 H new ATOM 0 HD12 LEU B 92 17.909 13.061 5.548 1.00 0.00 H new ATOM 0 HD13 LEU B 92 18.736 12.359 4.137 1.00 0.00 H new ATOM 0 HD21 LEU B 92 16.256 12.353 2.316 1.00 0.00 H new ATOM 0 HD22 LEU B 92 17.360 10.967 2.475 1.00 0.00 H new ATOM 0 HD23 LEU B 92 15.619 10.757 2.778 1.00 0.00 H new ATOM 1530 N LEU B 93 14.122 10.625 5.935 1.00 0.00 N ATOM 1531 CA LEU B 93 12.694 10.260 5.956 1.00 0.00 C ATOM 1532 C LEU B 93 12.393 9.031 5.089 1.00 0.00 C ATOM 1533 O LEU B 93 13.046 8.809 4.073 1.00 0.00 O ATOM 1534 CB LEU B 93 11.812 11.447 5.518 1.00 0.00 C ATOM 1535 CG LEU B 93 12.226 12.165 4.224 1.00 0.00 C ATOM 1536 CD1 LEU B 93 10.998 12.552 3.413 1.00 0.00 C ATOM 1537 CD2 LEU B 93 13.057 13.398 4.545 1.00 0.00 C ATOM 0 H LEU B 93 14.351 11.365 5.272 1.00 0.00 H new ATOM 0 HA LEU B 93 12.454 10.002 6.988 1.00 0.00 H new ATOM 0 HB2 LEU B 93 10.790 11.087 5.397 1.00 0.00 H new ATOM 0 HB3 LEU B 93 11.799 12.179 6.326 1.00 0.00 H new ATOM 0 HG LEU B 93 12.832 11.482 3.629 1.00 0.00 H new ATOM 0 HD11 LEU B 93 11.310 13.059 2.500 1.00 0.00 H new ATOM 0 HD12 LEU B 93 10.435 11.655 3.155 1.00 0.00 H new ATOM 0 HD13 LEU B 93 10.368 13.219 4.002 1.00 0.00 H new ATOM 0 HD21 LEU B 93 13.343 13.896 3.618 1.00 0.00 H new ATOM 0 HD22 LEU B 93 12.471 14.082 5.159 1.00 0.00 H new ATOM 0 HD23 LEU B 93 13.954 13.101 5.089 1.00 0.00 H new ATOM 1549 N GLU B 94 11.368 8.269 5.516 1.00 0.00 N ATOM 1550 CA GLU B 94 10.892 7.026 4.856 1.00 0.00 C ATOM 1551 C GLU B 94 10.639 7.198 3.339 1.00 0.00 C ATOM 1552 O GLU B 94 9.489 7.412 2.931 1.00 0.00 O ATOM 1553 CB GLU B 94 9.593 6.598 5.575 1.00 0.00 C ATOM 1554 CG GLU B 94 9.819 5.890 6.903 1.00 0.00 C ATOM 1555 CD GLU B 94 8.537 5.719 7.695 1.00 0.00 C ATOM 1556 OE1 GLU B 94 8.203 6.625 8.487 1.00 0.00 O1- ATOM 1557 OE2 GLU B 94 7.868 4.678 7.525 1.00 0.00 O ATOM 0 H GLU B 94 10.830 8.502 6.351 1.00 0.00 H new ATOM 0 HA GLU B 94 11.668 6.265 4.936 1.00 0.00 H new ATOM 0 HB2 GLU B 94 8.978 7.482 5.747 1.00 0.00 H new ATOM 0 HB3 GLU B 94 9.027 5.939 4.917 1.00 0.00 H new ATOM 0 HG2 GLU B 94 10.262 4.911 6.719 1.00 0.00 H new ATOM 0 HG3 GLU B 94 10.536 6.457 7.496 1.00 0.00 H new ATOM 1564 N VAL B 95 11.703 7.146 2.487 1.00 0.00 N ATOM 1565 CA VAL B 95 11.455 7.410 1.051 1.00 0.00 C ATOM 1566 C VAL B 95 10.868 6.225 0.196 1.00 0.00 C ATOM 1567 O VAL B 95 9.638 6.143 0.081 1.00 0.00 O ATOM 1568 CB VAL B 95 12.794 7.929 0.421 1.00 0.00 C ATOM 1569 CG1 VAL B 95 12.676 8.153 -1.088 1.00 0.00 C ATOM 1570 CG2 VAL B 95 13.233 9.231 1.084 1.00 0.00 C ATOM 0 H VAL B 95 12.668 6.940 2.747 1.00 0.00 H new ATOM 0 HA VAL B 95 10.655 8.150 1.020 1.00 0.00 H new ATOM 0 HB VAL B 95 13.540 7.153 0.595 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.628 8.512 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.415 7.214 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL B 95 11.900 8.893 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL B 95 14.164 9.574 0.632 1.00 0.00 H new ATOM 0 HG22 VAL B 95 12.462 9.988 0.945 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.388 9.063 2.150 1.00 0.00 H new ATOM 1580 N PHE B 96 11.715 5.257 -0.304 1.00 0.00 N ATOM 1581 CA PHE B 96 11.224 4.096 -1.087 1.00 0.00 C ATOM 1582 C PHE B 96 10.843 2.982 -0.172 1.00 0.00 C ATOM 1583 O PHE B 96 9.689 2.551 -0.082 1.00 0.00 O ATOM 1584 CB PHE B 96 12.205 3.607 -2.155 1.00 0.00 C ATOM 1585 CG PHE B 96 11.684 3.772 -3.557 1.00 0.00 C ATOM 1586 CD1 PHE B 96 10.834 2.821 -4.109 1.00 0.00 C ATOM 1587 CD2 PHE B 96 12.034 4.874 -4.320 1.00 0.00 C ATOM 1588 CE1 PHE B 96 10.346 2.969 -5.392 1.00 0.00 C ATOM 1589 CE2 PHE B 96 11.547 5.025 -5.607 1.00 0.00 C ATOM 1590 CZ PHE B 96 10.703 4.071 -6.141 1.00 0.00 C ATOM 0 H PHE B 96 12.726 5.271 -0.172 1.00 0.00 H new ATOM 0 HA PHE B 96 10.346 4.444 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE B 96 13.143 4.154 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE B 96 12.429 2.555 -1.979 1.00 0.00 H new ATOM 0 HD1 PHE B 96 10.552 1.956 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE B 96 12.693 5.623 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE B 96 9.686 2.223 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE B 96 11.827 5.888 -6.193 1.00 0.00 H new ATOM 0 HZ PHE B 96 10.323 4.188 -7.145 1.00 0.00 H new ATOM 1600 N TRP B 97 11.913 2.524 0.512 1.00 0.00 N ATOM 1601 CA TRP B 97 11.869 1.493 1.501 1.00 0.00 C ATOM 1602 C TRP B 97 10.904 1.970 2.570 1.00 0.00 C ATOM 1603 O TRP B 97 10.221 1.192 3.171 1.00 0.00 O ATOM 1604 CB TRP B 97 13.314 1.182 2.008 1.00 0.00 C ATOM 1605 CG TRP B 97 13.421 0.157 3.121 1.00 0.00 C ATOM 1606 CD1 TRP B 97 13.938 -1.091 2.988 1.00 0.00 C ATOM 1607 CD2 TRP B 97 13.039 0.279 4.514 1.00 0.00 C ATOM 1608 NE1 TRP B 97 13.885 -1.766 4.183 1.00 0.00 N ATOM 1609 CE2 TRP B 97 13.343 -0.949 5.136 1.00 0.00 C ATOM 1610 CE3 TRP B 97 12.468 1.288 5.301 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 13.094 -1.186 6.491 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 12.230 1.049 6.640 1.00 0.00 C ATOM 1613 CH2 TRP B 97 12.542 -0.178 7.221 1.00 0.00 C ATOM 0 H TRP B 97 12.852 2.893 0.365 1.00 0.00 H new ATOM 0 HA TRP B 97 11.505 0.540 1.117 1.00 0.00 H new ATOM 0 HB2 TRP B 97 13.908 0.834 1.162 1.00 0.00 H new ATOM 0 HB3 TRP B 97 13.765 2.112 2.353 1.00 0.00 H new ATOM 0 HD1 TRP B 97 14.336 -1.497 2.070 1.00 0.00 H new ATOM 0 HE1 TRP B 97 14.200 -2.724 4.335 1.00 0.00 H new ATOM 0 HE3 TRP B 97 12.216 2.243 4.865 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 13.332 -2.137 6.944 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 11.794 1.828 7.248 1.00 0.00 H new ATOM 0 HH2 TRP B 97 12.342 -0.333 8.271 1.00 0.00 H new ATOM 1624 N GLY B 98 10.912 3.281 2.810 1.00 0.00 N ATOM 1625 CA GLY B 98 10.061 3.903 3.802 1.00 0.00 C ATOM 1626 C GLY B 98 8.573 3.935 3.472 1.00 0.00 C ATOM 1627 O GLY B 98 7.875 2.945 3.698 1.00 0.00 O ATOM 0 H GLY B 98 11.515 3.938 2.315 1.00 0.00 H new ATOM 0 HA2 GLY B 98 10.193 3.378 4.748 1.00 0.00 H new ATOM 0 HA3 GLY B 98 10.402 4.927 3.956 1.00 0.00 H new ATOM 1631 N GLN B 99 8.106 5.072 2.904 1.00 0.00 N ATOM 1632 CA GLN B 99 6.673 5.324 2.588 1.00 0.00 C ATOM 1633 C GLN B 99 5.696 4.342 3.293 1.00 0.00 C ATOM 1634 O GLN B 99 4.997 3.547 2.655 1.00 0.00 O ATOM 1635 CB GLN B 99 6.464 5.346 1.069 1.00 0.00 C ATOM 1636 CG GLN B 99 5.899 6.660 0.537 1.00 0.00 C ATOM 1637 CD GLN B 99 6.949 7.751 0.409 1.00 0.00 C ATOM 1638 OE1 GLN B 99 7.185 8.515 1.345 1.00 0.00 O ATOM 1639 NE2 GLN B 99 7.583 7.828 -0.756 1.00 0.00 N ATOM 0 H GLN B 99 8.716 5.849 2.649 1.00 0.00 H new ATOM 0 HA GLN B 99 6.427 6.305 2.993 1.00 0.00 H new ATOM 0 HB2 GLN B 99 7.417 5.148 0.579 1.00 0.00 H new ATOM 0 HB3 GLN B 99 5.790 4.535 0.794 1.00 0.00 H new ATOM 0 HG2 GLN B 99 5.445 6.485 -0.438 1.00 0.00 H new ATOM 0 HG3 GLN B 99 5.106 7.003 1.201 1.00 0.00 H new ATOM 0 HE21 GLN B 99 7.355 7.174 -1.505 1.00 0.00 H new ATOM 0 HE22 GLN B 99 8.297 8.541 -0.902 1.00 0.00 H new ATOM 1648 N ASP B 100 5.686 4.433 4.643 1.00 0.00 N ATOM 1649 CA ASP B 100 4.855 3.606 5.558 1.00 0.00 C ATOM 1650 C ASP B 100 4.895 2.090 5.234 1.00 0.00 C ATOM 1651 O ASP B 100 5.850 1.412 5.613 1.00 0.00 O ATOM 1652 CB ASP B 100 3.416 4.153 5.626 1.00 0.00 C ATOM 1653 CG ASP B 100 3.368 5.540 6.245 1.00 0.00 C ATOM 1654 OD1 ASP B 100 3.401 5.637 7.490 1.00 0.00 O1- ATOM 1655 OD2 ASP B 100 3.317 6.529 5.483 1.00 0.00 O ATOM 0 H ASP B 100 6.271 5.102 5.143 1.00 0.00 H new ATOM 0 HA ASP B 100 5.299 3.691 6.550 1.00 0.00 H new ATOM 0 HB2 ASP B 100 2.993 4.188 4.622 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.796 3.473 6.210 1.00 0.00 H new ATOM 1660 N HIS B 101 3.863 1.573 4.540 1.00 0.00 N ATOM 1661 CA HIS B 101 3.773 0.146 4.148 1.00 0.00 C ATOM 1662 C HIS B 101 4.976 -0.285 3.303 1.00 0.00 C ATOM 1663 O HIS B 101 5.478 -1.405 3.416 1.00 0.00 O ATOM 1664 CB HIS B 101 2.467 -0.134 3.406 1.00 0.00 C ATOM 1665 CG HIS B 101 1.757 -1.345 3.924 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.580 -2.491 3.180 1.00 0.00 N ATOM 1667 CD2 HIS B 101 1.200 -1.595 5.135 1.00 0.00 C ATOM 1668 CE1 HIS B 101 0.945 -3.391 3.909 1.00 0.00 C ATOM 1669 NE2 HIS B 101 0.707 -2.870 5.098 1.00 0.00 N ATOM 0 H HIS B 101 3.066 2.130 4.233 1.00 0.00 H new ATOM 0 HA HIS B 101 3.783 -0.444 5.064 1.00 0.00 H new ATOM 0 HB2 HIS B 101 1.811 0.732 3.494 1.00 0.00 H new ATOM 0 HB3 HIS B 101 2.678 -0.268 2.345 1.00 0.00 H new ATOM 0 HD2 HIS B 101 1.154 -0.914 5.972 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.668 -4.384 3.587 1.00 0.00 H new ATOM 0 HE2 HIS B 101 0.231 -3.343 5.867 1.00 0.00 H new ATOM 1678 N LYS B 102 5.402 0.649 2.459 1.00 0.00 N ATOM 1679 CA LYS B 102 6.529 0.519 1.529 1.00 0.00 C ATOM 1680 C LYS B 102 7.820 -0.048 2.167 1.00 0.00 C ATOM 1681 O LYS B 102 8.606 -0.702 1.488 1.00 0.00 O ATOM 1682 CB LYS B 102 6.796 1.852 0.822 1.00 0.00 C ATOM 1683 CG LYS B 102 5.768 2.149 -0.272 1.00 0.00 C ATOM 1684 CD LYS B 102 6.345 2.991 -1.401 1.00 0.00 C ATOM 1685 CE LYS B 102 5.248 3.764 -2.115 1.00 0.00 C ATOM 1686 NZ LYS B 102 5.756 4.493 -3.310 1.00 0.00 N1+ ATOM 0 H LYS B 102 4.952 1.563 2.398 1.00 0.00 H new ATOM 0 HA LYS B 102 6.227 -0.226 0.793 1.00 0.00 H new ATOM 0 HB2 LYS B 102 6.785 2.658 1.556 1.00 0.00 H new ATOM 0 HB3 LYS B 102 7.794 1.834 0.384 1.00 0.00 H new ATOM 0 HG2 LYS B 102 5.393 1.210 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS B 102 4.916 2.669 0.166 1.00 0.00 H new ATOM 0 HD2 LYS B 102 7.084 3.685 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS B 102 6.864 2.348 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS B 102 4.461 3.075 -2.420 1.00 0.00 H new ATOM 0 HE3 LYS B 102 4.798 4.475 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 4.972 5.005 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 6.489 5.170 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 6.162 3.813 -3.985 1.00 0.00 H new ATOM 1700 N VAL B 103 8.019 0.224 3.468 1.00 0.00 N ATOM 1701 CA VAL B 103 9.250 -0.130 4.241 1.00 0.00 C ATOM 1702 C VAL B 103 9.729 -1.553 3.963 1.00 0.00 C ATOM 1703 O VAL B 103 10.896 -1.756 3.640 1.00 0.00 O ATOM 1704 CB VAL B 103 9.060 0.074 5.789 1.00 0.00 C ATOM 1705 CG1 VAL B 103 8.910 1.548 6.133 1.00 0.00 C ATOM 1706 CG2 VAL B 103 7.865 -0.705 6.356 1.00 0.00 C ATOM 0 H VAL B 103 7.322 0.706 4.035 1.00 0.00 H new ATOM 0 HA VAL B 103 10.019 0.560 3.893 1.00 0.00 H new ATOM 0 HB VAL B 103 9.963 -0.322 6.253 1.00 0.00 H new ATOM 0 HG11 VAL B 103 8.780 1.659 7.210 1.00 0.00 H new ATOM 0 HG12 VAL B 103 9.803 2.088 5.818 1.00 0.00 H new ATOM 0 HG13 VAL B 103 8.039 1.955 5.619 1.00 0.00 H new ATOM 0 HG21 VAL B 103 7.787 -0.523 7.428 1.00 0.00 H new ATOM 0 HG22 VAL B 103 6.950 -0.375 5.865 1.00 0.00 H new ATOM 0 HG23 VAL B 103 8.008 -1.771 6.179 1.00 0.00 H new ATOM 1716 N ASP B 104 8.873 -2.510 4.189 1.00 0.00 N ATOM 1717 CA ASP B 104 9.127 -3.896 3.855 1.00 0.00 C ATOM 1718 C ASP B 104 8.936 -4.181 2.340 1.00 0.00 C ATOM 1719 O ASP B 104 9.578 -5.064 1.769 1.00 0.00 O ATOM 1720 CB ASP B 104 8.402 -4.877 4.765 1.00 0.00 C ATOM 1721 CG ASP B 104 6.881 -4.770 4.742 1.00 0.00 C ATOM 1722 OD1 ASP B 104 6.356 -3.660 4.973 1.00 0.00 O ATOM 1723 OD2 ASP B 104 6.216 -5.803 4.499 1.00 0.00 O1- ATOM 0 H ASP B 104 7.961 -2.353 4.618 1.00 0.00 H new ATOM 0 HA ASP B 104 10.184 -4.072 4.055 1.00 0.00 H new ATOM 0 HB2 ASP B 104 8.685 -5.891 4.481 1.00 0.00 H new ATOM 0 HB3 ASP B 104 8.747 -4.725 5.788 1.00 0.00 H new ATOM 1728 N PHE B 105 8.021 -3.390 1.728 1.00 0.00 N ATOM 1729 CA PHE B 105 7.498 -3.605 0.359 1.00 0.00 C ATOM 1730 C PHE B 105 8.564 -3.724 -0.699 1.00 0.00 C ATOM 1731 O PHE B 105 8.418 -4.547 -1.609 1.00 0.00 O ATOM 1732 CB PHE B 105 6.481 -2.488 -0.049 1.00 0.00 C ATOM 1733 CG PHE B 105 6.891 -1.716 -1.320 1.00 0.00 C ATOM 1734 CD1 PHE B 105 7.762 -0.629 -1.258 1.00 0.00 C ATOM 1735 CD2 PHE B 105 6.436 -2.112 -2.575 1.00 0.00 C ATOM 1736 CE1 PHE B 105 8.157 0.041 -2.402 1.00 0.00 C ATOM 1737 CE2 PHE B 105 6.835 -1.443 -3.723 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.692 -0.365 -3.634 1.00 0.00 C ATOM 0 H PHE B 105 7.619 -2.570 2.182 1.00 0.00 H new ATOM 0 HA PHE B 105 6.991 -4.569 0.407 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.502 -2.940 -0.208 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.377 -1.784 0.776 1.00 0.00 H new ATOM 0 HD1 PHE B 105 8.136 -0.304 -0.298 1.00 0.00 H new ATOM 0 HD2 PHE B 105 5.763 -2.952 -2.656 1.00 0.00 H new ATOM 0 HE1 PHE B 105 8.830 0.883 -2.330 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.474 -1.766 -4.688 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.997 0.159 -4.528 1.00 0.00 H new ATOM 1748 N ILE B 106 9.619 -2.906 -0.603 1.00 0.00 N ATOM 1749 CA ILE B 106 10.641 -2.930 -1.660 1.00 0.00 C ATOM 1750 C ILE B 106 11.069 -4.351 -2.050 1.00 0.00 C ATOM 1751 O ILE B 106 10.800 -4.755 -3.183 1.00 0.00 O ATOM 1752 CB ILE B 106 11.943 -2.075 -1.411 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.316 -1.767 0.052 1.00 0.00 C ATOM 1754 CG2 ILE B 106 11.830 -0.734 -2.132 1.00 0.00 C ATOM 1755 CD1 ILE B 106 11.251 -1.986 1.085 1.00 0.00 C ATOM 0 H ILE B 106 9.786 -2.247 0.158 1.00 0.00 H new ATOM 0 HA ILE B 106 10.104 -2.448 -2.477 1.00 0.00 H new ATOM 0 HB ILE B 106 12.733 -2.720 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE B 106 13.178 -2.379 0.318 1.00 0.00 H new ATOM 0 HG13 ILE B 106 12.635 -0.726 0.109 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.733 -0.149 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.712 -0.905 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE B 106 10.965 -0.189 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE B 106 11.642 -1.733 2.070 1.00 0.00 H new ATOM 0 HD12 ILE B 106 10.392 -1.353 0.862 1.00 0.00 H new ATOM 0 HD13 ILE B 106 10.944 -3.032 1.075 1.00 0.00 H new ATOM 1767 N LEU B 107 11.643 -5.147 -1.156 1.00 0.00 N ATOM 1768 CA LEU B 107 12.073 -6.485 -1.585 1.00 0.00 C ATOM 1769 C LEU B 107 10.890 -7.442 -1.819 1.00 0.00 C ATOM 1770 O LEU B 107 10.901 -8.211 -2.785 1.00 0.00 O ATOM 1771 CB LEU B 107 13.170 -7.092 -0.665 1.00 0.00 C ATOM 1772 CG LEU B 107 12.708 -7.940 0.565 1.00 0.00 C ATOM 1773 CD1 LEU B 107 12.217 -9.324 0.145 1.00 0.00 C ATOM 1774 CD2 LEU B 107 13.831 -8.123 1.568 1.00 0.00 C ATOM 0 H LEU B 107 11.818 -4.914 -0.179 1.00 0.00 H new ATOM 0 HA LEU B 107 12.546 -6.350 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU B 107 13.813 -7.720 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU B 107 13.786 -6.273 -0.294 1.00 0.00 H new ATOM 0 HG LEU B 107 11.890 -7.385 1.024 1.00 0.00 H new ATOM 0 HD11 LEU B 107 11.905 -9.883 1.027 1.00 0.00 H new ATOM 0 HD12 LEU B 107 11.372 -9.219 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU B 107 13.023 -9.859 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU B 107 13.474 -8.717 2.409 1.00 0.00 H new ATOM 0 HD22 LEU B 107 14.666 -8.636 1.090 1.00 0.00 H new ATOM 0 HD23 LEU B 107 14.161 -7.148 1.926 1.00 0.00 H new ATOM 1786 N GLN B 108 9.888 -7.392 -0.931 1.00 0.00 N ATOM 1787 CA GLN B 108 8.705 -8.261 -1.033 1.00 0.00 C ATOM 1788 C GLN B 108 7.758 -7.799 -2.163 1.00 0.00 C ATOM 1789 O GLN B 108 6.625 -7.363 -1.916 1.00 0.00 O ATOM 1790 CB GLN B 108 7.975 -8.306 0.325 1.00 0.00 C ATOM 1791 CG GLN B 108 7.227 -9.610 0.602 1.00 0.00 C ATOM 1792 CD GLN B 108 5.898 -9.703 -0.129 1.00 0.00 C ATOM 1793 OE1 GLN B 108 5.830 -10.193 -1.256 1.00 0.00 O ATOM 1794 NE2 GLN B 108 4.835 -9.229 0.512 1.00 0.00 N ATOM 0 H GLN B 108 9.872 -6.758 -0.132 1.00 0.00 H new ATOM 0 HA GLN B 108 9.035 -9.268 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN B 108 8.703 -8.144 1.120 1.00 0.00 H new ATOM 0 HB3 GLN B 108 7.266 -7.479 0.369 1.00 0.00 H new ATOM 0 HG2 GLN B 108 7.855 -10.451 0.309 1.00 0.00 H new ATOM 0 HG3 GLN B 108 7.052 -9.701 1.674 1.00 0.00 H new ATOM 0 HE21 GLN B 108 4.938 -8.831 1.446 1.00 0.00 H new ATOM 0 HE22 GLN B 108 3.916 -9.263 0.070 1.00 0.00 H new ATOM 1803 N ARG B 109 8.254 -7.893 -3.408 1.00 0.00 N ATOM 1804 CA ARG B 109 7.488 -7.506 -4.600 1.00 0.00 C ATOM 1805 C ARG B 109 7.878 -8.369 -5.812 1.00 0.00 C ATOM 1806 O ARG B 109 7.332 -9.461 -5.991 1.00 0.00 O ATOM 1807 CB ARG B 109 7.669 -6.007 -4.908 1.00 0.00 C ATOM 1808 CG ARG B 109 6.648 -5.111 -4.216 1.00 0.00 C ATOM 1809 CD ARG B 109 5.448 -4.805 -5.109 1.00 0.00 C ATOM 1810 NE ARG B 109 4.635 -5.997 -5.394 1.00 0.00 N ATOM 1811 CZ ARG B 109 3.783 -6.111 -6.423 1.00 0.00 C ATOM 1812 NH1 ARG B 109 3.610 -5.113 -7.287 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 3.101 -7.236 -6.587 1.00 0.00 N ATOM 0 H ARG B 109 9.192 -8.237 -3.614 1.00 0.00 H new ATOM 0 HA ARG B 109 6.433 -7.681 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG B 109 8.671 -5.702 -4.606 1.00 0.00 H new ATOM 0 HB3 ARG B 109 7.601 -5.856 -5.985 1.00 0.00 H new ATOM 0 HG2 ARG B 109 6.304 -5.594 -3.302 1.00 0.00 H new ATOM 0 HG3 ARG B 109 7.127 -4.177 -3.922 1.00 0.00 H new ATOM 0 HD2 ARG B 109 4.825 -4.052 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG B 109 5.799 -4.376 -6.048 1.00 0.00 H new ATOM 0 HE ARG B 109 4.726 -6.794 -4.764 1.00 0.00 H new ATOM 0 HH11 ARG B 109 4.130 -4.243 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG B 109 2.957 -5.218 -8.064 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.226 -8.008 -5.932 1.00 0.00 H new ATOM 0 HH22 ARG B 109 2.451 -7.329 -7.368 1.00 0.00 H new ATOM 1827 N GLU B 110 8.824 -7.875 -6.640 1.00 0.00 N ATOM 1828 CA GLU B 110 9.286 -8.593 -7.842 1.00 0.00 C ATOM 1829 C GLU B 110 10.613 -8.015 -8.391 1.00 0.00 C ATOM 1830 O GLU B 110 11.515 -8.795 -8.707 1.00 0.00 O ATOM 1831 CB GLU B 110 8.217 -8.563 -8.950 1.00 0.00 C ATOM 1832 CG GLU B 110 8.070 -9.884 -9.691 1.00 0.00 C ATOM 1833 CD GLU B 110 6.921 -9.870 -10.680 1.00 0.00 C ATOM 1834 OE1 GLU B 110 5.779 -10.168 -10.268 1.00 0.00 O1- ATOM 1835 OE2 GLU B 110 7.162 -9.560 -11.866 1.00 0.00 O ATOM 0 H GLU B 110 9.283 -6.976 -6.494 1.00 0.00 H new ATOM 0 HA GLU B 110 9.462 -9.625 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU B 110 7.257 -8.294 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU B 110 8.470 -7.781 -9.666 1.00 0.00 H new ATOM 0 HG2 GLU B 110 8.997 -10.106 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU B 110 7.915 -10.686 -8.970 1.00 0.00 H new ATOM 1842 N PRO B 111 10.773 -6.647 -8.524 1.00 0.00 N ATOM 1843 CA PRO B 111 12.014 -6.037 -9.065 1.00 0.00 C ATOM 1844 C PRO B 111 13.253 -6.274 -8.197 1.00 0.00 C ATOM 1845 O PRO B 111 13.148 -6.475 -6.984 1.00 0.00 O ATOM 1846 CB PRO B 111 11.696 -4.534 -9.123 1.00 0.00 C ATOM 1847 CG PRO B 111 10.214 -4.445 -9.044 1.00 0.00 C ATOM 1848 CD PRO B 111 9.788 -5.592 -8.181 1.00 0.00 C ATOM 0 HA PRO B 111 12.266 -6.481 -10.028 1.00 0.00 H new ATOM 0 HB2 PRO B 111 12.167 -4.000 -8.298 1.00 0.00 H new ATOM 0 HB3 PRO B 111 12.069 -4.088 -10.045 1.00 0.00 H new ATOM 0 HG2 PRO B 111 9.901 -3.494 -8.614 1.00 0.00 H new ATOM 0 HG3 PRO B 111 9.764 -4.511 -10.034 1.00 0.00 H new ATOM 0 HD2 PRO B 111 9.822 -5.336 -7.122 1.00 0.00 H new ATOM 0 HD3 PRO B 111 8.767 -5.905 -8.400 1.00 0.00 H new ATOM 1856 N TYR B 112 14.427 -6.244 -8.850 1.00 0.00 N ATOM 1857 CA TYR B 112 15.728 -6.451 -8.188 1.00 0.00 C ATOM 1858 C TYR B 112 16.148 -5.251 -7.322 1.00 0.00 C ATOM 1859 O TYR B 112 16.677 -5.430 -6.222 1.00 0.00 O ATOM 1860 CB TYR B 112 16.824 -6.775 -9.226 1.00 0.00 C ATOM 1861 CG TYR B 112 16.947 -5.783 -10.373 1.00 0.00 C ATOM 1862 CD1 TYR B 112 17.725 -4.640 -10.249 1.00 0.00 C ATOM 1863 CD2 TYR B 112 16.286 -5.996 -11.576 1.00 0.00 C ATOM 1864 CE1 TYR B 112 17.842 -3.737 -11.288 1.00 0.00 C ATOM 1865 CE2 TYR B 112 16.398 -5.099 -12.622 1.00 0.00 C ATOM 1866 CZ TYR B 112 17.177 -3.971 -12.472 1.00 0.00 C ATOM 1867 OH TYR B 112 17.293 -3.074 -13.508 1.00 0.00 O ATOM 0 H TYR B 112 14.502 -6.075 -9.853 1.00 0.00 H new ATOM 0 HA TYR B 112 15.608 -7.303 -7.519 1.00 0.00 H new ATOM 0 HB2 TYR B 112 17.783 -6.831 -8.712 1.00 0.00 H new ATOM 0 HB3 TYR B 112 16.627 -7.763 -9.642 1.00 0.00 H new ATOM 0 HD1 TYR B 112 18.249 -4.453 -9.323 1.00 0.00 H new ATOM 0 HD2 TYR B 112 15.674 -6.878 -11.696 1.00 0.00 H new ATOM 0 HE1 TYR B 112 18.451 -2.853 -11.173 1.00 0.00 H new ATOM 0 HE2 TYR B 112 15.878 -5.281 -13.551 1.00 0.00 H new ATOM 0 HH TYR B 112 16.764 -3.386 -14.272 1.00 0.00 H new ATOM 1877 N CYS B 113 15.916 -4.033 -7.839 1.00 0.00 N ATOM 1878 CA CYS B 113 16.275 -2.782 -7.146 1.00 0.00 C ATOM 1879 C CYS B 113 15.616 -2.660 -5.765 1.00 0.00 C ATOM 1880 O CYS B 113 16.263 -2.249 -4.803 1.00 0.00 O ATOM 1881 CB CYS B 113 15.896 -1.577 -8.011 1.00 0.00 C ATOM 1882 SG CYS B 113 14.141 -1.496 -8.437 1.00 0.00 S ATOM 0 H CYS B 113 15.475 -3.887 -8.747 1.00 0.00 H new ATOM 0 HA CYS B 113 17.353 -2.803 -6.987 1.00 0.00 H new ATOM 0 HB2 CYS B 113 16.173 -0.664 -7.484 1.00 0.00 H new ATOM 0 HB3 CYS B 113 16.481 -1.605 -8.930 1.00 0.00 H new ATOM 0 HG CYS B 113 13.920 -0.443 -9.167 1.00 0.00 H new ATOM 1888 N ARG B 114 14.334 -3.038 -5.675 1.00 0.00 N ATOM 1889 CA ARG B 114 13.570 -2.972 -4.438 1.00 0.00 C ATOM 1890 C ARG B 114 14.028 -4.108 -3.533 1.00 0.00 C ATOM 1891 O ARG B 114 14.132 -3.962 -2.312 1.00 0.00 O ATOM 1892 CB ARG B 114 12.055 -3.012 -4.711 1.00 0.00 C ATOM 1893 CG ARG B 114 11.559 -1.908 -5.644 1.00 0.00 C ATOM 1894 CD ARG B 114 10.041 -1.798 -5.639 1.00 0.00 C ATOM 1895 NE ARG B 114 9.570 -0.662 -6.443 1.00 0.00 N ATOM 1896 CZ ARG B 114 8.381 -0.604 -7.060 1.00 0.00 C ATOM 1897 NH1 ARG B 114 7.516 -1.614 -6.983 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 8.058 0.475 -7.759 1.00 0.00 N ATOM 0 H ARG B 114 13.802 -3.399 -6.467 1.00 0.00 H new ATOM 0 HA ARG B 114 13.754 -2.023 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG B 114 11.800 -3.980 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG B 114 11.524 -2.937 -3.762 1.00 0.00 H new ATOM 0 HG2 ARG B 114 11.993 -0.955 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG B 114 11.905 -2.108 -6.658 1.00 0.00 H new ATOM 0 HD2 ARG B 114 9.609 -2.721 -6.027 1.00 0.00 H new ATOM 0 HD3 ARG B 114 9.689 -1.687 -4.613 1.00 0.00 H new ATOM 0 HE ARG B 114 10.192 0.140 -6.539 1.00 0.00 H new ATOM 0 HH11 ARG B 114 7.754 -2.449 -6.448 1.00 0.00 H new ATOM 0 HH12 ARG B 114 6.616 -1.552 -7.459 1.00 0.00 H new ATOM 0 HH21 ARG B 114 8.712 1.255 -7.825 1.00 0.00 H new ATOM 0 HH22 ARG B 114 7.155 0.526 -8.231 1.00 0.00 H new ATOM 1912 N ASP B 115 14.289 -5.250 -4.193 1.00 0.00 N ATOM 1913 CA ASP B 115 14.765 -6.481 -3.564 1.00 0.00 C ATOM 1914 C ASP B 115 15.978 -6.238 -2.657 1.00 0.00 C ATOM 1915 O ASP B 115 16.066 -6.820 -1.590 1.00 0.00 O ATOM 1916 CB ASP B 115 15.118 -7.511 -4.645 1.00 0.00 C ATOM 1917 CG ASP B 115 14.976 -8.946 -4.163 1.00 0.00 C ATOM 1918 OD1 ASP B 115 15.966 -9.496 -3.638 1.00 0.00 O ATOM 1919 OD2 ASP B 115 13.875 -9.515 -4.313 1.00 0.00 O1- ATOM 0 H ASP B 115 14.170 -5.338 -5.202 1.00 0.00 H new ATOM 0 HA ASP B 115 13.960 -6.862 -2.935 1.00 0.00 H new ATOM 0 HB2 ASP B 115 14.473 -7.358 -5.510 1.00 0.00 H new ATOM 0 HB3 ASP B 115 16.142 -7.344 -4.978 1.00 0.00 H new ATOM 1924 N ILE B 116 16.890 -5.362 -3.105 1.00 0.00 N ATOM 1925 CA ILE B 116 18.128 -5.060 -2.389 1.00 0.00 C ATOM 1926 C ILE B 116 17.824 -4.124 -1.223 1.00 0.00 C ATOM 1927 O ILE B 116 18.386 -4.239 -0.143 1.00 0.00 O ATOM 1928 CB ILE B 116 19.253 -4.507 -3.342 1.00 0.00 C ATOM 1929 CG1 ILE B 116 20.611 -4.407 -2.621 1.00 0.00 C ATOM 1930 CG2 ILE B 116 18.891 -3.163 -3.969 1.00 0.00 C ATOM 1931 CD1 ILE B 116 21.419 -5.691 -2.653 1.00 0.00 C ATOM 0 H ILE B 116 16.785 -4.844 -3.977 1.00 0.00 H new ATOM 0 HA ILE B 116 18.534 -5.987 -1.984 1.00 0.00 H new ATOM 0 HB ILE B 116 19.339 -5.233 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE B 116 21.196 -3.609 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE B 116 20.440 -4.122 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE B 116 19.704 -2.832 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE B 116 17.980 -3.270 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE B 116 18.730 -2.426 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE B 116 22.361 -5.541 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE B 116 20.855 -6.488 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE B 116 21.623 -5.967 -3.688 1.00 0.00 H new ATOM 1943 N ASN B 117 16.925 -3.179 -1.510 1.00 0.00 N ATOM 1944 CA ASN B 117 16.491 -2.156 -0.567 1.00 0.00 C ATOM 1945 C ASN B 117 16.041 -2.731 0.790 1.00 0.00 C ATOM 1946 O ASN B 117 16.672 -2.445 1.791 1.00 0.00 O ATOM 1947 CB ASN B 117 15.375 -1.342 -1.213 1.00 0.00 C ATOM 1948 CG ASN B 117 15.792 -0.633 -2.501 1.00 0.00 C ATOM 1949 OD1 ASN B 117 14.980 -0.463 -3.410 1.00 0.00 O ATOM 1950 ND2 ASN B 117 17.049 -0.200 -2.582 1.00 0.00 N ATOM 0 H ASN B 117 16.473 -3.106 -2.421 1.00 0.00 H new ATOM 0 HA ASN B 117 17.346 -1.518 -0.343 1.00 0.00 H new ATOM 0 HB2 ASN B 117 14.535 -2.002 -1.429 1.00 0.00 H new ATOM 0 HB3 ASN B 117 15.021 -0.599 -0.499 1.00 0.00 H new ATOM 0 HD21 ASN B 117 17.366 0.291 -3.418 1.00 0.00 H new ATOM 0 HD22 ASN B 117 17.694 -0.359 -1.808 1.00 0.00 H new ATOM 1957 N GLN B 118 14.982 -3.558 0.830 1.00 0.00 N ATOM 1958 CA GLN B 118 14.531 -4.161 2.106 1.00 0.00 C ATOM 1959 C GLN B 118 15.523 -5.220 2.558 1.00 0.00 C ATOM 1960 O GLN B 118 15.835 -5.341 3.740 1.00 0.00 O ATOM 1961 CB GLN B 118 13.135 -4.769 1.991 1.00 0.00 C ATOM 1962 CG GLN B 118 12.228 -4.480 3.169 1.00 0.00 C ATOM 1963 CD GLN B 118 11.875 -5.719 3.986 1.00 0.00 C ATOM 1964 OE1 GLN B 118 11.863 -6.844 3.482 1.00 0.00 O ATOM 1965 NE2 GLN B 118 11.551 -5.509 5.257 1.00 0.00 N ATOM 0 H GLN B 118 14.429 -3.823 0.015 1.00 0.00 H new ATOM 0 HA GLN B 118 14.481 -3.363 2.847 1.00 0.00 H new ATOM 0 HB2 GLN B 118 12.662 -4.394 1.083 1.00 0.00 H new ATOM 0 HB3 GLN B 118 13.230 -5.849 1.878 1.00 0.00 H new ATOM 0 HG2 GLN B 118 12.712 -3.752 3.820 1.00 0.00 H new ATOM 0 HG3 GLN B 118 11.309 -4.021 2.805 1.00 0.00 H new ATOM 0 HE21 GLN B 118 11.573 -4.564 5.639 1.00 0.00 H new ATOM 0 HE22 GLN B 118 11.281 -6.293 5.851 1.00 0.00 H new ATOM 1974 N LEU B 119 16.007 -5.985 1.584 1.00 0.00 N ATOM 1975 CA LEU B 119 16.979 -7.044 1.806 1.00 0.00 C ATOM 1976 C LEU B 119 18.220 -6.502 2.520 1.00 0.00 C ATOM 1977 O LEU B 119 18.496 -6.880 3.659 1.00 0.00 O ATOM 1978 CB LEU B 119 17.329 -7.632 0.441 1.00 0.00 C ATOM 1979 CG LEU B 119 17.849 -9.081 0.430 1.00 0.00 C ATOM 1980 CD1 LEU B 119 16.707 -10.084 0.559 1.00 0.00 C ATOM 1981 CD2 LEU B 119 18.646 -9.345 -0.838 1.00 0.00 C ATOM 0 H LEU B 119 15.730 -5.884 0.608 1.00 0.00 H new ATOM 0 HA LEU B 119 16.566 -7.819 2.451 1.00 0.00 H new ATOM 0 HB2 LEU B 119 16.441 -7.583 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU B 119 18.083 -6.995 -0.021 1.00 0.00 H new ATOM 0 HG LEU B 119 18.503 -9.209 1.293 1.00 0.00 H new ATOM 0 HD11 LEU B 119 17.109 -11.097 0.548 1.00 0.00 H new ATOM 0 HD12 LEU B 119 16.178 -9.914 1.497 1.00 0.00 H new ATOM 0 HD13 LEU B 119 16.017 -9.959 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU B 119 19.008 -10.373 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU B 119 18.008 -9.189 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU B 119 19.494 -8.662 -0.883 1.00 0.00 H new ATOM 1993 N SER B 120 18.924 -5.571 1.866 1.00 0.00 N ATOM 1994 CA SER B 120 20.121 -4.958 2.445 1.00 0.00 C ATOM 1995 C SER B 120 19.773 -3.972 3.573 1.00 0.00 C ATOM 1996 O SER B 120 20.400 -4.000 4.631 1.00 0.00 O ATOM 1997 CB SER B 120 20.945 -4.253 1.360 1.00 0.00 C ATOM 1998 OG SER B 120 22.210 -3.844 1.855 1.00 0.00 O ATOM 0 H SER B 120 18.684 -5.227 0.936 1.00 0.00 H new ATOM 0 HA SER B 120 20.717 -5.760 2.880 1.00 0.00 H new ATOM 0 HB2 SER B 120 21.084 -4.924 0.513 1.00 0.00 H new ATOM 0 HB3 SER B 120 20.398 -3.385 0.992 1.00 0.00 H new ATOM 0 HG SER B 120 22.713 -3.399 1.141 1.00 0.00 H new ATOM 2004 N GLU B 121 18.768 -3.108 3.341 1.00 0.00 N ATOM 2005 CA GLU B 121 18.369 -2.088 4.332 1.00 0.00 C ATOM 2006 C GLU B 121 17.609 -2.651 5.528 1.00 0.00 C ATOM 2007 O GLU B 121 18.126 -2.598 6.647 1.00 0.00 O ATOM 2008 CB GLU B 121 17.536 -1.002 3.655 1.00 0.00 C ATOM 2009 CG GLU B 121 18.350 -0.024 2.842 1.00 0.00 C ATOM 2010 CD GLU B 121 19.006 -0.612 1.599 1.00 0.00 C ATOM 2011 OE1 GLU B 121 20.018 -1.330 1.743 1.00 0.00 O ATOM 2012 OE2 GLU B 121 18.519 -0.338 0.485 1.00 0.00 O1- ATOM 0 H GLU B 121 18.219 -3.094 2.481 1.00 0.00 H new ATOM 0 HA GLU B 121 19.295 -1.671 4.727 1.00 0.00 H new ATOM 0 HB2 GLU B 121 16.799 -1.475 3.005 1.00 0.00 H new ATOM 0 HB3 GLU B 121 16.983 -0.454 4.418 1.00 0.00 H new ATOM 0 HG2 GLU B 121 17.704 0.800 2.539 1.00 0.00 H new ATOM 0 HG3 GLU B 121 19.127 0.398 3.480 1.00 0.00 H new ATOM 2019 N ALA B 122 16.384 -3.185 5.313 1.00 0.00 N ATOM 2020 CA ALA B 122 15.619 -3.779 6.436 1.00 0.00 C ATOM 2021 C ALA B 122 16.393 -4.840 7.251 1.00 0.00 C ATOM 2022 O ALA B 122 16.305 -4.840 8.481 1.00 0.00 O ATOM 2023 CB ALA B 122 14.317 -4.378 5.950 1.00 0.00 C ATOM 0 H ALA B 122 15.917 -3.218 4.407 1.00 0.00 H new ATOM 0 HA ALA B 122 15.428 -2.945 7.111 1.00 0.00 H new ATOM 0 HB1 ALA B 122 13.776 -4.807 6.794 1.00 0.00 H new ATOM 0 HB2 ALA B 122 13.709 -3.601 5.487 1.00 0.00 H new ATOM 0 HB3 ALA B 122 14.526 -5.159 5.219 1.00 0.00 H new ATOM 2029 N LEU B 123 17.148 -5.733 6.582 1.00 0.00 N ATOM 2030 CA LEU B 123 17.890 -6.797 7.291 1.00 0.00 C ATOM 2031 C LEU B 123 19.129 -6.287 8.057 1.00 0.00 C ATOM 2032 O LEU B 123 19.293 -6.606 9.237 1.00 0.00 O ATOM 2033 CB LEU B 123 18.291 -7.915 6.315 1.00 0.00 C ATOM 2034 CG LEU B 123 18.452 -9.317 6.926 1.00 0.00 C ATOM 2035 CD1 LEU B 123 18.058 -10.383 5.916 1.00 0.00 C ATOM 2036 CD2 LEU B 123 19.884 -9.542 7.396 1.00 0.00 C ATOM 0 H LEU B 123 17.260 -5.741 5.568 1.00 0.00 H new ATOM 0 HA LEU B 123 17.206 -7.190 8.043 1.00 0.00 H new ATOM 0 HB2 LEU B 123 17.541 -7.968 5.526 1.00 0.00 H new ATOM 0 HB3 LEU B 123 19.232 -7.636 5.841 1.00 0.00 H new ATOM 0 HG LEU B 123 17.791 -9.389 7.790 1.00 0.00 H new ATOM 0 HD11 LEU B 123 18.177 -11.370 6.363 1.00 0.00 H new ATOM 0 HD12 LEU B 123 17.018 -10.240 5.624 1.00 0.00 H new ATOM 0 HD13 LEU B 123 18.696 -10.304 5.036 1.00 0.00 H new ATOM 0 HD21 LEU B 123 19.974 -10.540 7.824 1.00 0.00 H new ATOM 0 HD22 LEU B 123 20.564 -9.448 6.549 1.00 0.00 H new ATOM 0 HD23 LEU B 123 20.140 -8.799 8.151 1.00 0.00 H new ATOM 2048 N LEU B 124 19.991 -5.499 7.389 1.00 0.00 N ATOM 2049 CA LEU B 124 21.233 -4.994 8.009 1.00 0.00 C ATOM 2050 C LEU B 124 20.999 -3.896 9.054 1.00 0.00 C ATOM 2051 O LEU B 124 21.641 -3.900 10.109 1.00 0.00 O ATOM 2052 CB LEU B 124 22.208 -4.489 6.936 1.00 0.00 C ATOM 2053 CG LEU B 124 22.859 -5.576 6.068 1.00 0.00 C ATOM 2054 CD1 LEU B 124 23.281 -5.001 4.724 1.00 0.00 C ATOM 2055 CD2 LEU B 124 24.062 -6.192 6.774 1.00 0.00 C ATOM 0 H LEU B 124 19.853 -5.198 6.424 1.00 0.00 H new ATOM 0 HA LEU B 124 21.666 -5.843 8.537 1.00 0.00 H new ATOM 0 HB2 LEU B 124 21.675 -3.798 6.283 1.00 0.00 H new ATOM 0 HB3 LEU B 124 22.997 -3.920 7.427 1.00 0.00 H new ATOM 0 HG LEU B 124 22.120 -6.360 5.901 1.00 0.00 H new ATOM 0 HD11 LEU B 124 23.741 -5.784 4.121 1.00 0.00 H new ATOM 0 HD12 LEU B 124 22.406 -4.610 4.205 1.00 0.00 H new ATOM 0 HD13 LEU B 124 23.999 -4.196 4.882 1.00 0.00 H new ATOM 0 HD21 LEU B 124 24.504 -6.959 6.138 1.00 0.00 H new ATOM 0 HD22 LEU B 124 24.801 -5.417 6.976 1.00 0.00 H new ATOM 0 HD23 LEU B 124 23.741 -6.641 7.714 1.00 0.00 H new ATOM 2067 N SER B 125 20.082 -2.962 8.760 1.00 0.00 N ATOM 2068 CA SER B 125 19.782 -1.838 9.663 1.00 0.00 C ATOM 2069 C SER B 125 19.060 -2.276 10.947 1.00 0.00 C ATOM 2070 O SER B 125 19.379 -1.783 12.034 1.00 0.00 O ATOM 2071 CB SER B 125 18.952 -0.783 8.932 1.00 0.00 C ATOM 2072 OG SER B 125 19.670 -0.236 7.840 1.00 0.00 O ATOM 0 H SER B 125 19.533 -2.962 7.901 1.00 0.00 H new ATOM 0 HA SER B 125 20.740 -1.414 9.966 1.00 0.00 H new ATOM 0 HB2 SER B 125 18.024 -1.229 8.574 1.00 0.00 H new ATOM 0 HB3 SER B 125 18.677 0.012 9.625 1.00 0.00 H new ATOM 0 HG SER B 125 19.466 -0.744 7.027 1.00 0.00 H new ATOM 2078 N LEU B 126 18.094 -3.200 10.817 1.00 0.00 N ATOM 2079 CA LEU B 126 17.320 -3.698 11.968 1.00 0.00 C ATOM 2080 C LEU B 126 18.150 -4.617 12.877 1.00 0.00 C ATOM 2081 O LEU B 126 18.115 -4.471 14.102 1.00 0.00 O ATOM 2082 CB LEU B 126 16.059 -4.436 11.491 1.00 0.00 C ATOM 2083 CG LEU B 126 14.777 -3.592 11.417 1.00 0.00 C ATOM 2084 CD1 LEU B 126 14.681 -2.850 10.090 1.00 0.00 C ATOM 2085 CD2 LEU B 126 13.553 -4.473 11.621 1.00 0.00 C ATOM 0 H LEU B 126 17.829 -3.618 9.925 1.00 0.00 H new ATOM 0 HA LEU B 126 17.032 -2.827 12.556 1.00 0.00 H new ATOM 0 HB2 LEU B 126 16.256 -4.851 10.502 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.879 -5.278 12.160 1.00 0.00 H new ATOM 0 HG LEU B 126 14.815 -2.850 12.214 1.00 0.00 H new ATOM 0 HD11 LEU B 126 13.764 -2.262 10.068 1.00 0.00 H new ATOM 0 HD12 LEU B 126 15.540 -2.188 9.981 1.00 0.00 H new ATOM 0 HD13 LEU B 126 14.671 -3.569 9.271 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.652 -3.862 11.566 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.521 -5.237 10.844 1.00 0.00 H new ATOM 0 HD23 LEU B 126 13.608 -4.951 12.599 1.00 0.00 H new ATOM 2097 N ASN B 127 18.893 -5.559 12.269 1.00 0.00 N ATOM 2098 CA ASN B 127 19.732 -6.506 13.020 1.00 0.00 C ATOM 2099 C ASN B 127 20.981 -5.832 13.608 1.00 0.00 C ATOM 2100 O ASN B 127 21.155 -5.806 14.830 1.00 0.00 O ATOM 2101 CB ASN B 127 20.125 -7.692 12.129 1.00 0.00 C ATOM 2102 CG ASN B 127 18.991 -8.684 11.952 1.00 0.00 C ATOM 2103 OD1 ASN B 127 18.854 -9.631 12.728 1.00 0.00 O ATOM 2104 ND2 ASN B 127 18.170 -8.471 10.930 1.00 0.00 N ATOM 0 H ASN B 127 18.928 -5.684 11.257 1.00 0.00 H new ATOM 0 HA ASN B 127 19.141 -6.873 13.859 1.00 0.00 H new ATOM 0 HB2 ASN B 127 20.436 -7.322 11.152 1.00 0.00 H new ATOM 0 HB3 ASN B 127 20.985 -8.201 12.565 1.00 0.00 H new ATOM 0 HD21 ASN B 127 17.388 -9.105 10.763 1.00 0.00 H new ATOM 0 HD22 ASN B 127 18.321 -7.674 10.312 1.00 0.00 H new ATOM 2111 N PHE B 128 21.845 -5.288 12.731 1.00 0.00 N ATOM 2112 CA PHE B 128 23.080 -4.608 13.150 1.00 0.00 C ATOM 2113 C PHE B 128 22.792 -3.241 13.782 1.00 0.00 C ATOM 2114 O PHE B 128 22.230 -2.368 13.084 1.00 0.00 O ATOM 2115 CB PHE B 128 24.037 -4.456 11.962 1.00 0.00 C ATOM 2116 CG PHE B 128 24.707 -5.740 11.558 1.00 0.00 C ATOM 2117 CD1 PHE B 128 24.111 -6.591 10.641 1.00 0.00 C ATOM 2118 CD2 PHE B 128 25.934 -6.095 12.096 1.00 0.00 C ATOM 2119 CE1 PHE B 128 24.727 -7.773 10.269 1.00 0.00 C ATOM 2120 CE2 PHE B 128 26.553 -7.274 11.727 1.00 0.00 C ATOM 2121 CZ PHE B 128 25.949 -8.114 10.813 1.00 0.00 C ATOM 2122 OXT PHE B 128 23.131 -3.058 14.969 1.00 0.00 O1- ATOM 0 H PHE B 128 21.707 -5.308 11.721 1.00 0.00 H new ATOM 0 HA PHE B 128 23.554 -5.229 13.911 1.00 0.00 H new ATOM 0 HB2 PHE B 128 23.484 -4.061 11.110 1.00 0.00 H new ATOM 0 HB3 PHE B 128 24.802 -3.721 12.214 1.00 0.00 H new ATOM 0 HD1 PHE B 128 23.155 -6.329 10.212 1.00 0.00 H new ATOM 0 HD2 PHE B 128 26.412 -5.443 12.812 1.00 0.00 H new ATOM 0 HE1 PHE B 128 24.252 -8.428 9.554 1.00 0.00 H new ATOM 0 HE2 PHE B 128 27.509 -7.538 12.154 1.00 0.00 H new ATOM 0 HZ PHE B 128 26.432 -9.036 10.524 1.00 0.00 H new TER 2132 PHE B 128