USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=25 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 99 GLN : amide:sc= 0.536 K(o=0.33,f=-0.92) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -132:sc= -0.207 (180deg=0.924) USER MOD Set 2.1: B 81 LYS NZ :NH3+ 148:sc= 0.809 (180deg=-0.536) USER MOD Set 2.2: B 113 CYS SG : rot -158:sc= 0.263 USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.3) USER MOD Set 3.3: A 65 SER OG : rot 75:sc= 0.695 USER MOD Set 4.1: A 51 ASN : amide:sc=-0.000636 X(o=-0.018,f=0) USER MOD Set 4.2: A 54 LYS NZ :NH3+ -116:sc= -0.0169 (180deg=0) USER MOD Set 5.1: A 11 LYS NZ :NH3+ -179:sc= -4.06! (180deg=-4.24!) USER MOD Set 5.2: B 108 GLN : amide:sc= -0.0945 K(o=-4.2,f=-7.2) USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0553) USER MOD Single : A 1 MET N :NH3+ -122:sc= 1.28 (180deg=-0.862) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0119) USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.561 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00134 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= -0.0702 (180deg=-3.7!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.31 K(o=-0.31,f=-4.7!) USER MOD Single : A 41 GLN : amide:sc= -2.27! C(o=-2.3!,f=-10!) USER MOD Single : A 46 SER OG : rot 59:sc= 0.371 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.224 K(o=0.22,f=-3.9!) USER MOD Single : A 50 MET CE :methyl -143:sc= -0.111 (180deg=-3.97!) USER MOD Single : A 55 THR OG1 : rot -39:sc= 1.01 USER MOD Single : A 59 TYR OH : rot 119:sc= 1.01 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 THR OG1 : rot -87:sc= -1.04 USER MOD Single : B 91 GLN : amide:sc= -0.87 K(o=-0.87,f=-2.2!) USER MOD Single : B 101 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-9.1!) USER MOD Single : B 112 TYR OH : rot 120:sc= 0.899 USER MOD Single : B 117 ASN : amide:sc= -10.6! C(o=-11!,f=-13!) USER MOD Single : B 118 GLN :FLIP amide:sc= -3.64 F(o=-6.2!,f=-3.6) USER MOD Single : B 120 SER OG : rot 79:sc= 0.504 USER MOD Single : B 125 SER OG : rot 114:sc= 0.997 USER MOD Single : B 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.539 5.419 14.100 1.00 0.00 N ATOM 2 CA MET A 1 -10.706 3.965 13.823 1.00 0.00 C ATOM 3 C MET A 1 -9.682 3.478 12.793 1.00 0.00 C ATOM 4 O MET A 1 -9.202 4.258 11.966 1.00 0.00 O ATOM 5 CB MET A 1 -12.146 3.645 13.354 1.00 0.00 C ATOM 6 CG MET A 1 -12.695 4.539 12.236 1.00 0.00 C ATOM 7 SD MET A 1 -13.120 6.204 12.798 1.00 0.00 S ATOM 8 CE MET A 1 -14.689 5.917 13.620 1.00 0.00 C ATOM 0 H1 MET A 1 -10.363 5.561 15.115 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.734 5.786 13.554 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.404 5.926 13.825 1.00 0.00 H new ATOM 0 HA MET A 1 -10.529 3.431 14.757 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.176 2.610 13.014 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.813 3.718 14.213 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.954 4.610 11.440 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.581 4.070 11.807 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.121 6.871 13.923 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.370 5.410 12.937 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.530 5.295 14.501 1.00 0.00 H new ATOM 20 N LEU A 2 -9.362 2.181 12.860 1.00 0.00 N ATOM 21 CA LEU A 2 -8.393 1.564 11.952 1.00 0.00 C ATOM 22 C LEU A 2 -9.036 0.444 11.138 1.00 0.00 C ATOM 23 O LEU A 2 -9.975 -0.213 11.597 1.00 0.00 O ATOM 24 CB LEU A 2 -7.200 1.004 12.741 1.00 0.00 C ATOM 25 CG LEU A 2 -6.315 2.043 13.441 1.00 0.00 C ATOM 26 CD1 LEU A 2 -6.846 2.366 14.832 1.00 0.00 C ATOM 27 CD2 LEU A 2 -4.878 1.548 13.521 1.00 0.00 C ATOM 0 H LEU A 2 -9.764 1.535 13.540 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.044 2.336 11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.579 0.312 13.493 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.577 0.425 12.059 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.337 2.959 12.851 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.200 3.105 15.306 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.857 2.766 14.752 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -6.862 1.458 15.435 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.263 2.296 14.020 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.845 0.616 14.085 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.496 1.377 12.515 1.00 0.00 H new ATOM 39 N ILE A 3 -8.514 0.241 9.924 1.00 0.00 N ATOM 40 CA ILE A 3 -9.002 -0.805 9.016 1.00 0.00 C ATOM 41 C ILE A 3 -7.842 -1.408 8.220 1.00 0.00 C ATOM 42 O ILE A 3 -6.815 -0.752 8.020 1.00 0.00 O ATOM 43 CB ILE A 3 -10.114 -0.301 8.048 1.00 0.00 C ATOM 44 CG1 ILE A 3 -9.784 1.084 7.452 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.452 -0.264 8.780 1.00 0.00 C ATOM 46 CD1 ILE A 3 -10.236 1.255 6.015 1.00 0.00 C ATOM 0 H ILE A 3 -7.745 0.793 9.544 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.453 -1.574 9.643 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.173 -0.999 7.213 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.253 1.854 8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.707 1.245 7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.228 0.089 8.101 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.703 -1.265 9.130 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.382 0.411 9.633 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.969 2.253 5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.747 0.509 5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.317 1.127 5.956 1.00 0.00 H new ATOM 58 N LYS A 4 -8.017 -2.653 7.766 1.00 0.00 N ATOM 59 CA LYS A 4 -6.972 -3.354 7.013 1.00 0.00 C ATOM 60 C LYS A 4 -7.438 -3.736 5.612 1.00 0.00 C ATOM 61 O LYS A 4 -8.512 -4.320 5.442 1.00 0.00 O ATOM 62 CB LYS A 4 -6.527 -4.615 7.762 1.00 0.00 C ATOM 63 CG LYS A 4 -5.786 -4.337 9.070 1.00 0.00 C ATOM 64 CD LYS A 4 -5.475 -5.622 9.833 1.00 0.00 C ATOM 65 CE LYS A 4 -6.602 -6.009 10.787 1.00 0.00 C ATOM 66 NZ LYS A 4 -6.291 -7.255 11.539 1.00 0.00 N1+ ATOM 0 H LYS A 4 -8.870 -3.195 7.906 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.132 -2.667 6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.404 -5.225 7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.882 -5.203 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.857 -3.808 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.389 -3.680 9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.306 -6.432 9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.551 -5.494 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.777 -5.195 11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.524 -6.147 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.081 -7.483 12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.149 -8.038 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.425 -7.116 12.098 1.00 0.00 H new ATOM 80 N VAL A 5 -6.613 -3.396 4.615 1.00 0.00 N ATOM 81 CA VAL A 5 -6.902 -3.718 3.212 1.00 0.00 C ATOM 82 C VAL A 5 -6.031 -4.901 2.776 1.00 0.00 C ATOM 83 O VAL A 5 -4.851 -4.968 3.128 1.00 0.00 O ATOM 84 CB VAL A 5 -6.656 -2.502 2.265 1.00 0.00 C ATOM 85 CG1 VAL A 5 -7.125 -2.798 0.842 1.00 0.00 C ATOM 86 CG2 VAL A 5 -7.347 -1.246 2.788 1.00 0.00 C ATOM 0 H VAL A 5 -5.735 -2.895 4.755 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.958 -3.977 3.138 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.580 -2.326 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.939 -1.930 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.579 -3.656 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.192 -3.019 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.157 -0.416 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.421 -1.422 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.957 -1.001 3.776 1.00 0.00 H new ATOM 96 N LYS A 6 -6.623 -5.822 2.009 1.00 0.00 N ATOM 97 CA LYS A 6 -5.911 -7.009 1.533 1.00 0.00 C ATOM 98 C LYS A 6 -5.585 -6.918 0.044 1.00 0.00 C ATOM 99 O LYS A 6 -6.460 -6.627 -0.779 1.00 0.00 O ATOM 100 CB LYS A 6 -6.732 -8.270 1.810 1.00 0.00 C ATOM 101 CG LYS A 6 -6.610 -8.772 3.240 1.00 0.00 C ATOM 102 CD LYS A 6 -7.389 -10.062 3.448 1.00 0.00 C ATOM 103 CE LYS A 6 -7.107 -10.676 4.812 1.00 0.00 C ATOM 104 NZ LYS A 6 -5.769 -11.330 4.867 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.595 -5.767 1.705 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.969 -7.063 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.781 -8.066 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.413 -9.058 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.560 -8.938 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.977 -8.009 3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.456 -9.862 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.127 -10.775 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.163 -9.901 5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.879 -11.410 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.640 -11.778 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.705 -12.053 4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.027 -10.616 4.721 1.00 0.00 H new ATOM 118 N THR A 7 -4.312 -7.173 -0.280 1.00 0.00 N ATOM 119 CA THR A 7 -3.821 -7.145 -1.662 1.00 0.00 C ATOM 120 C THR A 7 -3.769 -8.560 -2.250 1.00 0.00 C ATOM 121 O THR A 7 -3.839 -9.549 -1.512 1.00 0.00 O ATOM 122 CB THR A 7 -2.414 -6.503 -1.764 1.00 0.00 C ATOM 123 OG1 THR A 7 -1.914 -6.156 -0.469 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.451 -5.257 -2.636 1.00 0.00 C ATOM 0 H THR A 7 -3.595 -7.404 0.407 1.00 0.00 H new ATOM 0 HA THR A 7 -4.522 -6.535 -2.231 1.00 0.00 H new ATOM 0 HB THR A 7 -1.751 -7.240 -2.217 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.103 -5.614 -0.566 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.453 -4.823 -2.693 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.789 -5.524 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.138 -4.530 -2.203 1.00 0.00 H new ATOM 132 N LEU A 8 -3.628 -8.646 -3.585 1.00 0.00 N ATOM 133 CA LEU A 8 -3.576 -9.936 -4.301 1.00 0.00 C ATOM 134 C LEU A 8 -2.320 -10.754 -3.966 1.00 0.00 C ATOM 135 O LEU A 8 -2.297 -11.970 -4.176 1.00 0.00 O ATOM 136 CB LEU A 8 -3.640 -9.709 -5.817 1.00 0.00 C ATOM 137 CG LEU A 8 -4.962 -9.139 -6.346 1.00 0.00 C ATOM 138 CD1 LEU A 8 -4.923 -7.618 -6.372 1.00 0.00 C ATOM 139 CD2 LEU A 8 -5.259 -9.688 -7.734 1.00 0.00 C ATOM 0 H LEU A 8 -3.547 -7.832 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.442 -10.508 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.834 -9.032 -6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.448 -10.658 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.761 -9.447 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.871 -7.236 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.757 -7.241 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.113 -7.286 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.200 -9.274 -8.095 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.455 -9.410 -8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.335 -10.774 -7.687 1.00 0.00 H new ATOM 151 N THR A 9 -1.284 -10.079 -3.447 1.00 0.00 N ATOM 152 CA THR A 9 -0.024 -10.740 -3.080 1.00 0.00 C ATOM 153 C THR A 9 -0.057 -11.245 -1.627 1.00 0.00 C ATOM 154 O THR A 9 0.813 -12.021 -1.220 1.00 0.00 O ATOM 155 CB THR A 9 1.193 -9.796 -3.264 1.00 0.00 C ATOM 156 OG1 THR A 9 0.928 -8.836 -4.297 1.00 0.00 O ATOM 157 CG2 THR A 9 2.451 -10.579 -3.627 1.00 0.00 C ATOM 0 H THR A 9 -1.295 -9.074 -3.272 1.00 0.00 H new ATOM 0 HA THR A 9 0.086 -11.591 -3.752 1.00 0.00 H new ATOM 0 HB THR A 9 1.356 -9.284 -2.316 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.703 -8.246 -4.402 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.286 -9.889 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.680 -11.289 -2.832 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.287 -11.119 -4.559 1.00 0.00 H new ATOM 165 N GLY A 10 -1.064 -10.798 -0.861 1.00 0.00 N ATOM 166 CA GLY A 10 -1.198 -11.208 0.532 1.00 0.00 C ATOM 167 C GLY A 10 -0.581 -10.208 1.493 1.00 0.00 C ATOM 168 O GLY A 10 0.214 -10.584 2.359 1.00 0.00 O ATOM 0 H GLY A 10 -1.789 -10.158 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.254 -11.333 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.723 -12.180 0.669 1.00 0.00 H new ATOM 172 N LYS A 11 -0.954 -8.936 1.332 1.00 0.00 N ATOM 173 CA LYS A 11 -0.444 -7.856 2.173 1.00 0.00 C ATOM 174 C LYS A 11 -1.592 -7.037 2.760 1.00 0.00 C ATOM 175 O LYS A 11 -2.421 -6.497 2.021 1.00 0.00 O ATOM 176 CB LYS A 11 0.476 -6.950 1.352 1.00 0.00 C ATOM 177 CG LYS A 11 1.866 -6.799 1.942 1.00 0.00 C ATOM 178 CD LYS A 11 2.825 -6.180 0.940 1.00 0.00 C ATOM 179 CE LYS A 11 4.243 -6.139 1.480 1.00 0.00 C ATOM 180 NZ LYS A 11 5.219 -5.708 0.443 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.615 -8.629 0.618 1.00 0.00 H new ATOM 0 HA LYS A 11 0.120 -8.295 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.561 -7.352 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.018 -5.965 1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.819 -6.177 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.240 -7.775 2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.804 -6.753 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.497 -5.169 0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.289 -5.456 2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.519 -7.126 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.178 -5.709 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.182 -6.364 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.981 -4.749 0.120 1.00 0.00 H new ATOM 194 N GLU A 12 -1.648 -6.966 4.092 1.00 0.00 N ATOM 195 CA GLU A 12 -2.685 -6.193 4.780 1.00 0.00 C ATOM 196 C GLU A 12 -2.161 -4.793 5.126 1.00 0.00 C ATOM 197 O GLU A 12 -1.307 -4.646 6.005 1.00 0.00 O ATOM 198 CB GLU A 12 -3.212 -6.931 6.038 1.00 0.00 C ATOM 199 CG GLU A 12 -2.139 -7.424 7.013 1.00 0.00 C ATOM 200 CD GLU A 12 -2.730 -8.128 8.220 1.00 0.00 C ATOM 201 OE1 GLU A 12 -2.915 -9.362 8.155 1.00 0.00 O ATOM 202 OE2 GLU A 12 -3.007 -7.446 9.229 1.00 0.00 O1- ATOM 0 H GLU A 12 -0.989 -7.433 4.715 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.532 -6.084 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.885 -6.262 6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.804 -7.787 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.465 -8.105 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.540 -6.577 7.348 1.00 0.00 H new ATOM 209 N ILE A 13 -2.717 -3.770 4.452 1.00 0.00 N ATOM 210 CA ILE A 13 -2.313 -2.366 4.648 1.00 0.00 C ATOM 211 C ILE A 13 -3.131 -1.780 5.813 1.00 0.00 C ATOM 212 O ILE A 13 -4.339 -2.026 5.907 1.00 0.00 O ATOM 213 CB ILE A 13 -2.596 -1.510 3.373 1.00 0.00 C ATOM 214 CG1 ILE A 13 -1.854 -2.082 2.146 1.00 0.00 C ATOM 215 CG2 ILE A 13 -2.220 -0.039 3.592 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.577 -1.850 0.827 1.00 0.00 C ATOM 0 H ILE A 13 -3.456 -3.892 3.759 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.244 -2.340 4.857 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.667 -1.558 3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.863 -1.632 2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.710 -3.153 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.429 0.529 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.804 0.367 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.159 0.034 3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.994 -2.280 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.558 -2.324 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.697 -0.779 0.661 1.00 0.00 H new ATOM 228 N GLU A 14 -2.470 -1.016 6.685 1.00 0.00 N ATOM 229 CA GLU A 14 -3.139 -0.407 7.838 1.00 0.00 C ATOM 230 C GLU A 14 -3.433 1.072 7.590 1.00 0.00 C ATOM 231 O GLU A 14 -2.514 1.875 7.413 1.00 0.00 O ATOM 232 CB GLU A 14 -2.282 -0.576 9.098 1.00 0.00 C ATOM 233 CG GLU A 14 -2.345 -1.971 9.701 1.00 0.00 C ATOM 234 CD GLU A 14 -1.491 -2.106 10.946 1.00 0.00 C ATOM 235 OE1 GLU A 14 -2.010 -1.849 12.053 1.00 0.00 O ATOM 236 OE2 GLU A 14 -0.303 -2.470 10.814 1.00 0.00 O1- ATOM 0 H GLU A 14 -1.475 -0.804 6.616 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.090 -0.918 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.246 -0.342 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.606 0.148 9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.380 -2.210 9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.017 -2.699 8.959 1.00 0.00 H new ATOM 243 N ILE A 15 -4.726 1.420 7.579 1.00 0.00 N ATOM 244 CA ILE A 15 -5.159 2.808 7.353 1.00 0.00 C ATOM 245 C ILE A 15 -6.196 3.260 8.368 1.00 0.00 C ATOM 246 O ILE A 15 -6.819 2.438 9.048 1.00 0.00 O ATOM 247 CB ILE A 15 -5.734 3.064 5.931 1.00 0.00 C ATOM 248 CG1 ILE A 15 -6.298 1.787 5.274 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.664 3.701 5.072 1.00 0.00 C ATOM 250 CD1 ILE A 15 -7.364 2.058 4.224 1.00 0.00 C ATOM 0 H ILE A 15 -5.491 0.761 7.724 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.244 3.389 7.465 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.581 3.744 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.479 1.234 4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.719 1.146 6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.060 3.883 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.354 4.646 5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.805 3.033 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.712 1.113 3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.202 2.583 4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.943 2.673 3.428 1.00 0.00 H new ATOM 262 N ASP A 16 -6.372 4.585 8.455 1.00 0.00 N ATOM 263 CA ASP A 16 -7.335 5.180 9.368 1.00 0.00 C ATOM 264 C ASP A 16 -8.255 6.160 8.636 1.00 0.00 C ATOM 265 O ASP A 16 -7.799 7.176 8.101 1.00 0.00 O ATOM 266 CB ASP A 16 -6.619 5.890 10.523 1.00 0.00 C ATOM 267 CG ASP A 16 -6.025 4.924 11.529 1.00 0.00 C ATOM 268 OD1 ASP A 16 -5.113 4.158 11.152 1.00 0.00 O1- ATOM 269 OD2 ASP A 16 -6.473 4.934 12.694 1.00 0.00 O ATOM 0 H ASP A 16 -5.852 5.262 7.897 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.947 4.376 9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.826 6.521 10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.323 6.549 11.031 1.00 0.00 H new ATOM 274 N ILE A 17 -9.553 5.831 8.611 1.00 0.00 N ATOM 275 CA ILE A 17 -10.570 6.671 7.956 1.00 0.00 C ATOM 276 C ILE A 17 -11.912 6.578 8.689 1.00 0.00 C ATOM 277 O ILE A 17 -12.159 5.617 9.424 1.00 0.00 O ATOM 278 CB ILE A 17 -10.769 6.319 6.444 1.00 0.00 C ATOM 279 CG1 ILE A 17 -10.887 4.800 6.200 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.634 6.897 5.613 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.312 4.285 6.227 1.00 0.00 C ATOM 0 H ILE A 17 -9.927 4.984 9.039 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.197 7.694 8.007 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.713 6.768 6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.442 4.561 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.306 4.274 6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.786 6.644 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.616 7.981 5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.686 6.481 5.953 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.314 3.210 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.755 4.491 7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.894 4.783 5.451 1.00 0.00 H new ATOM 293 N GLU A 18 -12.773 7.581 8.476 1.00 0.00 N ATOM 294 CA GLU A 18 -14.095 7.623 9.112 1.00 0.00 C ATOM 295 C GLU A 18 -15.167 6.988 8.204 1.00 0.00 C ATOM 296 O GLU A 18 -14.981 6.948 6.983 1.00 0.00 O ATOM 297 CB GLU A 18 -14.484 9.069 9.443 1.00 0.00 C ATOM 298 CG GLU A 18 -13.720 9.657 10.622 1.00 0.00 C ATOM 299 CD GLU A 18 -14.129 11.085 10.926 1.00 0.00 C ATOM 300 OE1 GLU A 18 -13.515 12.013 10.359 1.00 0.00 O1- ATOM 301 OE2 GLU A 18 -15.064 11.276 11.733 1.00 0.00 O ATOM 0 H GLU A 18 -12.577 8.375 7.867 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.040 7.047 10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.313 9.691 8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.552 9.108 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.888 9.039 11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.651 9.626 10.410 1.00 0.00 H new ATOM 308 N PRO A 19 -16.313 6.482 8.771 1.00 0.00 N ATOM 309 CA PRO A 19 -17.390 5.854 7.971 1.00 0.00 C ATOM 310 C PRO A 19 -18.202 6.863 7.148 1.00 0.00 C ATOM 311 O PRO A 19 -18.934 6.475 6.230 1.00 0.00 O ATOM 312 CB PRO A 19 -18.299 5.189 9.020 1.00 0.00 C ATOM 313 CG PRO A 19 -17.558 5.267 10.313 1.00 0.00 C ATOM 314 CD PRO A 19 -16.665 6.467 10.208 1.00 0.00 C ATOM 0 HA PRO A 19 -16.971 5.162 7.240 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.258 5.703 9.088 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.511 4.154 8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.247 5.366 11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.976 4.362 10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.177 7.381 10.510 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.782 6.372 10.841 1.00 0.00 H new ATOM 322 N THR A 20 -18.058 8.153 7.485 1.00 0.00 N ATOM 323 CA THR A 20 -18.773 9.240 6.798 1.00 0.00 C ATOM 324 C THR A 20 -18.046 9.701 5.529 1.00 0.00 C ATOM 325 O THR A 20 -18.589 10.491 4.750 1.00 0.00 O ATOM 326 CB THR A 20 -18.972 10.459 7.725 1.00 0.00 C ATOM 327 OG1 THR A 20 -17.726 10.829 8.328 1.00 0.00 O ATOM 328 CG2 THR A 20 -19.995 10.158 8.811 1.00 0.00 C ATOM 0 H THR A 20 -17.447 8.472 8.237 1.00 0.00 H new ATOM 0 HA THR A 20 -19.743 8.830 6.518 1.00 0.00 H new ATOM 0 HB THR A 20 -19.342 11.286 7.119 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.863 11.604 8.912 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.116 11.033 9.450 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.951 9.909 8.351 1.00 0.00 H new ATOM 0 HG23 THR A 20 -19.651 9.316 9.411 1.00 0.00 H new ATOM 336 N ASP A 21 -16.821 9.195 5.330 1.00 0.00 N ATOM 337 CA ASP A 21 -16.007 9.539 4.158 1.00 0.00 C ATOM 338 C ASP A 21 -16.390 8.679 2.953 1.00 0.00 C ATOM 339 O ASP A 21 -16.920 7.575 3.114 1.00 0.00 O ATOM 340 CB ASP A 21 -14.517 9.365 4.474 1.00 0.00 C ATOM 341 CG ASP A 21 -13.989 10.439 5.406 1.00 0.00 C ATOM 342 OD1 ASP A 21 -13.528 11.486 4.904 1.00 0.00 O1- ATOM 343 OD2 ASP A 21 -14.037 10.233 6.637 1.00 0.00 O ATOM 0 H ASP A 21 -16.371 8.542 5.971 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.198 10.583 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.357 8.386 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.948 9.384 3.545 1.00 0.00 H new ATOM 348 N LYS A 22 -16.116 9.196 1.747 1.00 0.00 N ATOM 349 CA LYS A 22 -16.435 8.488 0.501 1.00 0.00 C ATOM 350 C LYS A 22 -15.345 7.486 0.129 1.00 0.00 C ATOM 351 O LYS A 22 -14.169 7.682 0.457 1.00 0.00 O ATOM 352 CB LYS A 22 -16.647 9.476 -0.655 1.00 0.00 C ATOM 353 CG LYS A 22 -17.908 10.323 -0.530 1.00 0.00 C ATOM 354 CD LYS A 22 -18.485 10.666 -1.893 1.00 0.00 C ATOM 355 CE LYS A 22 -19.633 11.656 -1.779 1.00 0.00 C ATOM 356 NZ LYS A 22 -20.206 11.997 -3.110 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.673 10.104 1.609 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.361 7.940 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.783 10.138 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.688 8.919 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.653 9.785 0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.679 11.241 0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.703 11.086 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.835 9.756 -2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.413 11.236 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.281 12.565 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.986 12.674 -2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.468 12.422 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.565 11.133 -3.565 1.00 0.00 H new ATOM 370 N VAL A 23 -15.759 6.409 -0.560 1.00 0.00 N ATOM 371 CA VAL A 23 -14.847 5.333 -1.013 1.00 0.00 C ATOM 372 C VAL A 23 -13.661 5.889 -1.823 1.00 0.00 C ATOM 373 O VAL A 23 -12.538 5.394 -1.697 1.00 0.00 O ATOM 374 CB VAL A 23 -15.585 4.255 -1.873 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.795 2.946 -1.912 1.00 0.00 C ATOM 376 CG2 VAL A 23 -16.998 3.986 -1.362 1.00 0.00 C ATOM 0 H VAL A 23 -16.733 6.256 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.472 4.863 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.659 4.658 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.332 2.215 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.813 3.127 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.677 2.562 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.474 3.231 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.951 3.627 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.580 4.907 -1.399 1.00 0.00 H new ATOM 386 N GLU A 24 -13.920 6.929 -2.636 1.00 0.00 N ATOM 387 CA GLU A 24 -12.880 7.566 -3.471 1.00 0.00 C ATOM 388 C GLU A 24 -11.763 8.196 -2.620 1.00 0.00 C ATOM 389 O GLU A 24 -10.593 8.194 -3.020 1.00 0.00 O ATOM 390 CB GLU A 24 -13.493 8.616 -4.425 1.00 0.00 C ATOM 391 CG GLU A 24 -14.399 9.655 -3.761 1.00 0.00 C ATOM 392 CD GLU A 24 -14.912 10.693 -4.742 1.00 0.00 C ATOM 393 OE1 GLU A 24 -15.986 10.466 -5.337 1.00 0.00 O1- ATOM 394 OE2 GLU A 24 -14.239 11.731 -4.913 1.00 0.00 O ATOM 0 H GLU A 24 -14.844 7.349 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.430 6.776 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.682 9.138 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.067 8.095 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.246 9.150 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.849 10.155 -2.963 1.00 0.00 H new ATOM 401 N ARG A 25 -12.139 8.716 -1.440 1.00 0.00 N ATOM 402 CA ARG A 25 -11.182 9.337 -0.513 1.00 0.00 C ATOM 403 C ARG A 25 -10.281 8.278 0.124 1.00 0.00 C ATOM 404 O ARG A 25 -9.075 8.497 0.300 1.00 0.00 O ATOM 405 CB ARG A 25 -11.919 10.130 0.579 1.00 0.00 C ATOM 406 CG ARG A 25 -12.559 11.426 0.087 1.00 0.00 C ATOM 407 CD ARG A 25 -11.590 12.600 0.156 1.00 0.00 C ATOM 408 NE ARG A 25 -12.210 13.851 -0.294 1.00 0.00 N ATOM 409 CZ ARG A 25 -11.736 15.077 -0.025 1.00 0.00 C ATOM 410 NH1 ARG A 25 -10.629 15.246 0.696 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -12.379 16.142 -0.485 1.00 0.00 N ATOM 0 H ARG A 25 -13.103 8.718 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.559 10.026 -1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.694 9.497 1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.216 10.366 1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.899 11.296 -0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.440 11.647 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.236 12.719 1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.717 12.386 -0.460 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.062 13.784 -0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.125 14.435 1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.285 16.187 0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.228 16.026 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.025 17.077 -0.285 1.00 0.00 H new ATOM 425 N ILE A 26 -10.879 7.120 0.448 1.00 0.00 N ATOM 426 CA ILE A 26 -10.146 5.988 1.033 1.00 0.00 C ATOM 427 C ILE A 26 -9.113 5.467 0.016 1.00 0.00 C ATOM 428 O ILE A 26 -8.010 5.067 0.393 1.00 0.00 O ATOM 429 CB ILE A 26 -11.109 4.839 1.479 1.00 0.00 C ATOM 430 CG1 ILE A 26 -12.181 5.381 2.446 1.00 0.00 C ATOM 431 CG2 ILE A 26 -10.332 3.694 2.146 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.502 4.629 2.417 1.00 0.00 C ATOM 0 H ILE A 26 -11.875 6.944 0.313 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.632 6.339 1.928 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.599 4.448 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.784 5.351 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.369 6.428 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.027 2.909 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.607 3.287 1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.810 4.072 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.193 5.081 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.928 4.680 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.333 3.587 2.687 1.00 0.00 H new ATOM 444 N LYS A 27 -9.487 5.518 -1.279 1.00 0.00 N ATOM 445 CA LYS A 27 -8.607 5.086 -2.379 1.00 0.00 C ATOM 446 C LYS A 27 -7.405 6.027 -2.496 1.00 0.00 C ATOM 447 O LYS A 27 -6.281 5.582 -2.746 1.00 0.00 O ATOM 448 CB LYS A 27 -9.357 5.049 -3.720 1.00 0.00 C ATOM 449 CG LYS A 27 -10.638 4.233 -3.703 1.00 0.00 C ATOM 450 CD LYS A 27 -11.210 4.064 -5.101 1.00 0.00 C ATOM 451 CE LYS A 27 -12.179 2.897 -5.164 1.00 0.00 C ATOM 452 NZ LYS A 27 -12.760 2.728 -6.524 1.00 0.00 N1+ ATOM 0 H LYS A 27 -10.398 5.857 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.264 4.077 -2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.596 6.070 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.692 4.643 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.440 3.253 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.374 4.722 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.720 4.979 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.399 3.904 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.664 1.982 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.982 3.053 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.416 1.921 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.274 3.592 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.997 2.553 -7.208 1.00 0.00 H new ATOM 466 N GLU A 28 -7.665 7.336 -2.310 1.00 0.00 N ATOM 467 CA GLU A 28 -6.616 8.371 -2.346 1.00 0.00 C ATOM 468 C GLU A 28 -5.569 8.115 -1.255 1.00 0.00 C ATOM 469 O GLU A 28 -4.367 8.303 -1.479 1.00 0.00 O ATOM 470 CB GLU A 28 -7.228 9.766 -2.170 1.00 0.00 C ATOM 471 CG GLU A 28 -7.996 10.259 -3.388 1.00 0.00 C ATOM 472 CD GLU A 28 -8.587 11.641 -3.183 1.00 0.00 C ATOM 473 OE1 GLU A 28 -7.898 12.634 -3.500 1.00 0.00 O ATOM 474 OE2 GLU A 28 -9.738 11.729 -2.707 1.00 0.00 O1- ATOM 0 H GLU A 28 -8.600 7.702 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.126 8.325 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.898 9.752 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.432 10.475 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.330 10.277 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.796 9.556 -3.618 1.00 0.00 H new ATOM 481 N ARG A 29 -6.045 7.671 -0.072 1.00 0.00 N ATOM 482 CA ARG A 29 -5.163 7.340 1.063 1.00 0.00 C ATOM 483 C ARG A 29 -4.270 6.145 0.709 1.00 0.00 C ATOM 484 O ARG A 29 -3.068 6.135 1.008 1.00 0.00 O ATOM 485 CB ARG A 29 -5.985 7.012 2.324 1.00 0.00 C ATOM 486 CG ARG A 29 -6.780 8.186 2.895 1.00 0.00 C ATOM 487 CD ARG A 29 -5.914 9.100 3.756 1.00 0.00 C ATOM 488 NE ARG A 29 -6.682 10.213 4.323 1.00 0.00 N ATOM 489 CZ ARG A 29 -6.234 11.045 5.273 1.00 0.00 C ATOM 490 NH1 ARG A 29 -5.013 10.911 5.786 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -7.018 12.021 5.711 1.00 0.00 N ATOM 0 H ARG A 29 -7.037 7.534 0.120 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.540 8.211 1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.677 6.203 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.309 6.640 3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.213 8.762 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.610 7.806 3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.467 8.520 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.095 9.494 3.155 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.626 10.365 3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.400 10.165 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.690 11.554 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.955 12.134 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.684 12.658 6.434 1.00 0.00 H new ATOM 505 N VAL A 30 -4.877 5.146 0.037 1.00 0.00 N ATOM 506 CA VAL A 30 -4.166 3.936 -0.405 1.00 0.00 C ATOM 507 C VAL A 30 -3.037 4.322 -1.378 1.00 0.00 C ATOM 508 O VAL A 30 -1.901 3.865 -1.231 1.00 0.00 O ATOM 509 CB VAL A 30 -5.134 2.907 -1.079 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.447 1.567 -1.331 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.385 2.679 -0.235 1.00 0.00 C ATOM 0 H VAL A 30 -5.866 5.157 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.740 3.456 0.476 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.425 3.339 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.151 0.880 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.591 1.715 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.107 1.148 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.034 1.959 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.099 2.293 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.917 3.622 -0.111 1.00 0.00 H new ATOM 521 N GLU A 31 -3.366 5.205 -2.343 1.00 0.00 N ATOM 522 CA GLU A 31 -2.407 5.699 -3.348 1.00 0.00 C ATOM 523 C GLU A 31 -1.185 6.352 -2.678 1.00 0.00 C ATOM 524 O GLU A 31 -0.047 6.143 -3.103 1.00 0.00 O ATOM 525 CB GLU A 31 -3.107 6.714 -4.276 1.00 0.00 C ATOM 526 CG GLU A 31 -2.234 7.241 -5.415 1.00 0.00 C ATOM 527 CD GLU A 31 -2.803 8.481 -6.085 1.00 0.00 C ATOM 528 OE1 GLU A 31 -3.055 9.482 -5.377 1.00 0.00 O1- ATOM 529 OE2 GLU A 31 -2.987 8.454 -7.318 1.00 0.00 O ATOM 0 H GLU A 31 -4.303 5.594 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.055 4.850 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.994 6.245 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.449 7.558 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.241 7.469 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.111 6.457 -6.162 1.00 0.00 H new ATOM 536 N GLU A 32 -1.450 7.138 -1.628 1.00 0.00 N ATOM 537 CA GLU A 32 -0.402 7.846 -0.868 1.00 0.00 C ATOM 538 C GLU A 32 0.557 6.888 -0.152 1.00 0.00 C ATOM 539 O GLU A 32 1.720 7.232 0.079 1.00 0.00 O ATOM 540 CB GLU A 32 -1.037 8.786 0.162 1.00 0.00 C ATOM 541 CG GLU A 32 -1.837 9.919 -0.455 1.00 0.00 C ATOM 542 CD GLU A 32 -2.057 11.073 0.505 1.00 0.00 C ATOM 543 OE1 GLU A 32 -3.073 11.056 1.231 1.00 0.00 O ATOM 544 OE2 GLU A 32 -1.212 11.994 0.530 1.00 0.00 O1- ATOM 0 H GLU A 32 -2.394 7.304 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 32 0.178 8.417 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.689 8.207 0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.251 9.208 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.318 10.284 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.803 9.538 -0.785 1.00 0.00 H new ATOM 551 N LYS A 33 0.060 5.694 0.195 1.00 0.00 N ATOM 552 CA LYS A 33 0.873 4.691 0.903 1.00 0.00 C ATOM 553 C LYS A 33 1.695 3.801 -0.041 1.00 0.00 C ATOM 554 O LYS A 33 2.906 3.650 0.154 1.00 0.00 O ATOM 555 CB LYS A 33 -0.012 3.811 1.777 1.00 0.00 C ATOM 556 CG LYS A 33 0.127 4.079 3.262 1.00 0.00 C ATOM 557 CD LYS A 33 -0.571 2.994 4.056 1.00 0.00 C ATOM 558 CE LYS A 33 -0.673 3.332 5.532 1.00 0.00 C ATOM 559 NZ LYS A 33 -1.654 4.427 5.794 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.896 5.398 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 33 1.577 5.252 1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.052 3.958 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.228 2.766 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.182 4.118 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.302 5.051 3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.571 2.838 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.030 2.055 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.968 2.442 6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.308 3.629 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.159 5.247 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.111 4.704 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.376 4.093 6.464 1.00 0.00 H new ATOM 573 N GLU A 34 1.040 3.218 -1.056 1.00 0.00 N ATOM 574 CA GLU A 34 1.712 2.310 -1.997 1.00 0.00 C ATOM 575 C GLU A 34 2.247 3.039 -3.234 1.00 0.00 C ATOM 576 O GLU A 34 3.330 2.707 -3.726 1.00 0.00 O ATOM 577 CB GLU A 34 0.748 1.190 -2.413 1.00 0.00 C ATOM 578 CG GLU A 34 1.408 -0.178 -2.593 1.00 0.00 C ATOM 579 CD GLU A 34 0.633 -1.289 -1.913 1.00 0.00 C ATOM 580 OE1 GLU A 34 -0.252 -1.882 -2.566 1.00 0.00 O1- ATOM 581 OE2 GLU A 34 0.912 -1.567 -0.727 1.00 0.00 O ATOM 0 H GLU A 34 0.048 3.359 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 34 2.574 1.884 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.037 1.105 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.264 1.472 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.496 -0.399 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.420 -0.146 -2.190 1.00 0.00 H new ATOM 588 N GLY A 35 1.487 4.019 -3.736 1.00 0.00 N ATOM 589 CA GLY A 35 1.909 4.773 -4.913 1.00 0.00 C ATOM 590 C GLY A 35 1.312 4.241 -6.205 1.00 0.00 C ATOM 591 O GLY A 35 2.016 4.128 -7.213 1.00 0.00 O ATOM 0 H GLY A 35 0.587 4.303 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.623 5.818 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.996 4.747 -4.984 1.00 0.00 H new ATOM 595 N ILE A 36 0.014 3.916 -6.171 1.00 0.00 N ATOM 596 CA ILE A 36 -0.693 3.393 -7.345 1.00 0.00 C ATOM 597 C ILE A 36 -1.976 4.215 -7.586 1.00 0.00 C ATOM 598 O ILE A 36 -2.705 4.492 -6.632 1.00 0.00 O ATOM 599 CB ILE A 36 -1.052 1.877 -7.188 1.00 0.00 C ATOM 600 CG1 ILE A 36 0.189 1.063 -6.774 1.00 0.00 C ATOM 601 CG2 ILE A 36 -1.639 1.305 -8.487 1.00 0.00 C ATOM 602 CD1 ILE A 36 -0.135 -0.219 -6.030 1.00 0.00 C ATOM 0 H ILE A 36 -0.569 4.007 -5.339 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.026 3.484 -8.202 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.806 1.799 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.764 0.818 -7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.826 1.685 -6.145 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.878 0.251 -8.345 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.546 1.851 -8.748 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.910 1.407 -9.291 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.790 -0.735 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.683 0.018 -5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.745 -0.863 -6.663 1.00 0.00 H new ATOM 614 N PRO A 37 -2.281 4.613 -8.868 1.00 0.00 N ATOM 615 CA PRO A 37 -3.489 5.409 -9.203 1.00 0.00 C ATOM 616 C PRO A 37 -4.813 4.765 -8.725 1.00 0.00 C ATOM 617 O PRO A 37 -5.011 3.563 -8.926 1.00 0.00 O ATOM 618 CB PRO A 37 -3.465 5.476 -10.743 1.00 0.00 C ATOM 619 CG PRO A 37 -2.508 4.416 -11.169 1.00 0.00 C ATOM 620 CD PRO A 37 -1.481 4.346 -10.087 1.00 0.00 C ATOM 0 HA PRO A 37 -3.461 6.379 -8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.457 5.301 -11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.143 6.458 -11.089 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.013 3.458 -11.293 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.052 4.662 -12.128 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.997 3.370 -10.049 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.694 5.087 -10.226 1.00 0.00 H new ATOM 628 N PRO A 38 -5.740 5.551 -8.079 1.00 0.00 N ATOM 629 CA PRO A 38 -7.045 5.029 -7.591 1.00 0.00 C ATOM 630 C PRO A 38 -7.892 4.365 -8.687 1.00 0.00 C ATOM 631 O PRO A 38 -8.630 3.414 -8.414 1.00 0.00 O ATOM 632 CB PRO A 38 -7.764 6.281 -7.070 1.00 0.00 C ATOM 633 CG PRO A 38 -6.681 7.242 -6.745 1.00 0.00 C ATOM 634 CD PRO A 38 -5.591 6.992 -7.747 1.00 0.00 C ATOM 0 HA PRO A 38 -6.893 4.249 -6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.440 6.689 -7.821 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.366 6.053 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.040 8.269 -6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.318 7.092 -5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.707 7.620 -8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.607 7.207 -7.330 1.00 0.00 H new ATOM 642 N GLN A 39 -7.760 4.865 -9.928 1.00 0.00 N ATOM 643 CA GLN A 39 -8.511 4.344 -11.087 1.00 0.00 C ATOM 644 C GLN A 39 -8.210 2.863 -11.362 1.00 0.00 C ATOM 645 O GLN A 39 -9.063 2.142 -11.890 1.00 0.00 O ATOM 646 CB GLN A 39 -8.198 5.171 -12.339 1.00 0.00 C ATOM 647 CG GLN A 39 -8.831 6.555 -12.335 1.00 0.00 C ATOM 648 CD GLN A 39 -8.507 7.347 -13.587 1.00 0.00 C ATOM 649 OE1 GLN A 39 -9.229 7.282 -14.582 1.00 0.00 O ATOM 650 NE2 GLN A 39 -7.416 8.102 -13.544 1.00 0.00 N ATOM 0 H GLN A 39 -7.134 5.637 -10.157 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.570 4.427 -10.842 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.117 5.276 -12.433 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.543 4.627 -13.218 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.912 6.456 -12.242 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.485 7.106 -11.461 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.846 8.127 -12.699 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.148 8.658 -14.356 1.00 0.00 H new ATOM 659 N GLN A 40 -6.997 2.428 -11.000 1.00 0.00 N ATOM 660 CA GLN A 40 -6.574 1.036 -11.192 1.00 0.00 C ATOM 661 C GLN A 40 -6.849 0.187 -9.943 1.00 0.00 C ATOM 662 O GLN A 40 -6.621 -1.029 -9.951 1.00 0.00 O ATOM 663 CB GLN A 40 -5.082 0.974 -11.550 1.00 0.00 C ATOM 664 CG GLN A 40 -4.760 1.488 -12.946 1.00 0.00 C ATOM 665 CD GLN A 40 -3.325 1.218 -13.351 1.00 0.00 C ATOM 666 OE1 GLN A 40 -2.436 2.037 -13.114 1.00 0.00 O ATOM 667 NE2 GLN A 40 -3.088 0.065 -13.966 1.00 0.00 N ATOM 0 H GLN A 40 -6.289 3.023 -10.571 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.158 0.625 -12.016 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.519 1.556 -10.820 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.741 -0.058 -11.466 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.431 1.019 -13.665 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.949 2.561 -12.987 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.854 -0.585 -14.143 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.140 -0.170 -14.261 1.00 0.00 H new ATOM 676 N GLN A 41 -7.349 0.833 -8.880 1.00 0.00 N ATOM 677 CA GLN A 41 -7.652 0.148 -7.620 1.00 0.00 C ATOM 678 C GLN A 41 -9.158 0.052 -7.399 1.00 0.00 C ATOM 679 O GLN A 41 -9.901 0.980 -7.728 1.00 0.00 O ATOM 680 CB GLN A 41 -7.002 0.876 -6.437 1.00 0.00 C ATOM 681 CG GLN A 41 -5.480 0.841 -6.444 1.00 0.00 C ATOM 682 CD GLN A 41 -4.879 1.379 -5.160 1.00 0.00 C ATOM 683 OE1 GLN A 41 -4.618 0.625 -4.224 1.00 0.00 O ATOM 684 NE2 GLN A 41 -4.660 2.688 -5.109 1.00 0.00 N ATOM 0 H GLN A 41 -7.552 1.833 -8.870 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.243 -0.860 -7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.331 1.915 -6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.360 0.430 -5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.144 -0.185 -6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.111 1.425 -7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.892 3.275 -5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.260 3.106 -4.269 1.00 0.00 H new ATOM 693 N ARG A 42 -9.594 -1.082 -6.838 1.00 0.00 N ATOM 694 CA ARG A 42 -11.011 -1.325 -6.556 1.00 0.00 C ATOM 695 C ARG A 42 -11.196 -1.862 -5.138 1.00 0.00 C ATOM 696 O ARG A 42 -10.313 -2.538 -4.604 1.00 0.00 O ATOM 697 CB ARG A 42 -11.605 -2.312 -7.567 1.00 0.00 C ATOM 698 CG ARG A 42 -11.855 -1.708 -8.940 1.00 0.00 C ATOM 699 CD ARG A 42 -12.512 -2.707 -9.877 1.00 0.00 C ATOM 700 NE ARG A 42 -12.772 -2.132 -11.202 1.00 0.00 N ATOM 701 CZ ARG A 42 -13.489 -2.726 -12.166 1.00 0.00 C ATOM 702 NH1 ARG A 42 -14.036 -3.926 -11.979 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -13.660 -2.111 -13.329 1.00 0.00 N ATOM 0 H ARG A 42 -8.979 -1.850 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.537 -0.374 -6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.930 -3.161 -7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.545 -2.699 -7.174 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.491 -0.828 -8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.911 -1.373 -9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.870 -3.582 -9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.450 -3.050 -9.441 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.378 -1.213 -11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.913 -4.410 -11.089 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.578 -4.361 -12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.247 -1.192 -13.485 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.205 -2.558 -14.067 1.00 0.00 H new ATOM 717 N LEU A 43 -12.352 -1.553 -4.542 1.00 0.00 N ATOM 718 CA LEU A 43 -12.668 -1.992 -3.182 1.00 0.00 C ATOM 719 C LEU A 43 -13.925 -2.863 -3.172 1.00 0.00 C ATOM 720 O LEU A 43 -14.986 -2.444 -3.648 1.00 0.00 O ATOM 721 CB LEU A 43 -12.847 -0.772 -2.262 1.00 0.00 C ATOM 722 CG LEU A 43 -12.572 -1.009 -0.768 1.00 0.00 C ATOM 723 CD1 LEU A 43 -11.076 -0.998 -0.474 1.00 0.00 C ATOM 724 CD2 LEU A 43 -13.282 0.041 0.072 1.00 0.00 C ATOM 0 H LEU A 43 -13.086 -0.999 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.839 -2.593 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.187 0.022 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.868 -0.407 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.960 -1.994 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.913 -1.168 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.587 -1.786 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.657 -0.032 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.079 -0.139 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.921 1.032 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.356 -0.016 -0.105 1.00 0.00 H new ATOM 736 N ILE A 44 -13.784 -4.076 -2.628 1.00 0.00 N ATOM 737 CA ILE A 44 -14.889 -5.037 -2.551 1.00 0.00 C ATOM 738 C ILE A 44 -15.047 -5.549 -1.114 1.00 0.00 C ATOM 739 O ILE A 44 -14.063 -5.928 -0.470 1.00 0.00 O ATOM 740 CB ILE A 44 -14.674 -6.258 -3.513 1.00 0.00 C ATOM 741 CG1 ILE A 44 -14.114 -5.833 -4.904 1.00 0.00 C ATOM 742 CG2 ILE A 44 -15.964 -7.077 -3.675 1.00 0.00 C ATOM 743 CD1 ILE A 44 -14.979 -4.867 -5.714 1.00 0.00 C ATOM 0 H ILE A 44 -12.908 -4.417 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.793 -4.513 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.920 -6.890 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.137 -5.374 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.956 -6.733 -5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.781 -7.915 -4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -16.280 -7.454 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.748 -6.443 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.487 -4.645 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.950 -5.323 -5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.118 -3.944 -5.152 1.00 0.00 H new ATOM 755 N TYR A 45 -16.295 -5.551 -0.627 1.00 0.00 N ATOM 756 CA TYR A 45 -16.613 -6.025 0.724 1.00 0.00 C ATOM 757 C TYR A 45 -17.880 -6.880 0.694 1.00 0.00 C ATOM 758 O TYR A 45 -18.839 -6.547 -0.008 1.00 0.00 O ATOM 759 CB TYR A 45 -16.783 -4.835 1.688 1.00 0.00 C ATOM 760 CG TYR A 45 -16.805 -5.209 3.164 1.00 0.00 C ATOM 761 CD1 TYR A 45 -15.649 -5.618 3.825 1.00 0.00 C ATOM 762 CD2 TYR A 45 -17.987 -5.147 3.894 1.00 0.00 C ATOM 763 CE1 TYR A 45 -15.672 -5.953 5.165 1.00 0.00 C ATOM 764 CE2 TYR A 45 -18.017 -5.481 5.235 1.00 0.00 C ATOM 765 CZ TYR A 45 -16.858 -5.883 5.865 1.00 0.00 C ATOM 766 OH TYR A 45 -16.885 -6.216 7.200 1.00 0.00 O ATOM 0 H TYR A 45 -17.106 -5.227 -1.154 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.787 -6.638 1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -15.970 -4.129 1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.711 -4.318 1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.718 -5.674 3.280 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -18.897 -4.833 3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.766 -6.268 5.662 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -18.944 -5.427 5.787 1.00 0.00 H new ATOM 0 HH TYR A 45 -17.796 -6.112 7.545 1.00 0.00 H new ATOM 776 N SER A 46 -17.864 -7.993 1.467 1.00 0.00 N ATOM 777 CA SER A 46 -18.994 -8.959 1.575 1.00 0.00 C ATOM 778 C SER A 46 -19.171 -9.792 0.297 1.00 0.00 C ATOM 779 O SER A 46 -19.371 -11.008 0.362 1.00 0.00 O ATOM 780 CB SER A 46 -20.322 -8.256 1.919 1.00 0.00 C ATOM 781 OG SER A 46 -20.211 -7.515 3.122 1.00 0.00 O ATOM 0 H SER A 46 -17.061 -8.251 2.040 1.00 0.00 H new ATOM 0 HA SER A 46 -18.732 -9.632 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 46 -20.607 -7.591 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 46 -21.115 -8.998 2.017 1.00 0.00 H new ATOM 0 HG SER A 46 -19.499 -6.848 3.031 1.00 0.00 H new ATOM 787 N GLY A 47 -19.094 -9.116 -0.850 1.00 0.00 N ATOM 788 CA GLY A 47 -19.256 -9.756 -2.145 1.00 0.00 C ATOM 789 C GLY A 47 -19.760 -8.781 -3.194 1.00 0.00 C ATOM 790 O GLY A 47 -19.922 -9.144 -4.362 1.00 0.00 O ATOM 0 H GLY A 47 -18.918 -8.113 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.302 -10.175 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.955 -10.587 -2.055 1.00 0.00 H new ATOM 794 N LYS A 48 -20.004 -7.537 -2.759 1.00 0.00 N ATOM 795 CA LYS A 48 -20.491 -6.474 -3.634 1.00 0.00 C ATOM 796 C LYS A 48 -19.387 -5.454 -3.909 1.00 0.00 C ATOM 797 O LYS A 48 -18.444 -5.323 -3.123 1.00 0.00 O ATOM 798 CB LYS A 48 -21.703 -5.776 -3.004 1.00 0.00 C ATOM 799 CG LYS A 48 -22.977 -6.607 -3.035 1.00 0.00 C ATOM 800 CD LYS A 48 -24.144 -5.862 -2.402 1.00 0.00 C ATOM 801 CE LYS A 48 -25.423 -6.688 -2.425 1.00 0.00 C ATOM 802 NZ LYS A 48 -26.011 -6.774 -3.792 1.00 0.00 N1+ ATOM 0 H LYS A 48 -19.868 -7.245 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.794 -6.924 -4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.469 -5.526 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -21.881 -4.836 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -23.222 -6.861 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -22.813 -7.546 -2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -23.896 -5.606 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -24.307 -4.924 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -25.212 -7.692 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -26.151 -6.247 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -26.880 -7.345 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -26.237 -5.818 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -25.327 -7.219 -4.437 1.00 0.00 H new ATOM 816 N GLN A 49 -19.514 -4.733 -5.031 1.00 0.00 N ATOM 817 CA GLN A 49 -18.532 -3.714 -5.422 1.00 0.00 C ATOM 818 C GLN A 49 -18.928 -2.334 -4.888 1.00 0.00 C ATOM 819 O GLN A 49 -20.100 -1.948 -4.953 1.00 0.00 O ATOM 820 CB GLN A 49 -18.343 -3.675 -6.958 1.00 0.00 C ATOM 821 CG GLN A 49 -19.629 -3.530 -7.784 1.00 0.00 C ATOM 822 CD GLN A 49 -20.344 -4.851 -8.001 1.00 0.00 C ATOM 823 OE1 GLN A 49 -21.193 -5.249 -7.203 1.00 0.00 O ATOM 824 NE2 GLN A 49 -20.004 -5.537 -9.086 1.00 0.00 N ATOM 0 H GLN A 49 -20.290 -4.837 -5.685 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.577 -3.989 -4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.680 -2.845 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.836 -4.589 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -20.302 -2.837 -7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.386 -3.091 -8.752 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.295 -5.169 -9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.452 -6.432 -9.285 1.00 0.00 H new ATOM 833 N MET A 50 -17.937 -1.604 -4.364 1.00 0.00 N ATOM 834 CA MET A 50 -18.154 -0.267 -3.809 1.00 0.00 C ATOM 835 C MET A 50 -17.911 0.810 -4.864 1.00 0.00 C ATOM 836 O MET A 50 -16.872 0.808 -5.534 1.00 0.00 O ATOM 837 CB MET A 50 -17.239 -0.042 -2.602 1.00 0.00 C ATOM 838 CG MET A 50 -17.589 -0.907 -1.395 1.00 0.00 C ATOM 839 SD MET A 50 -16.546 -0.570 0.036 1.00 0.00 S ATOM 840 CE MET A 50 -17.359 0.870 0.720 1.00 0.00 C ATOM 0 H MET A 50 -16.969 -1.922 -4.314 1.00 0.00 H new ATOM 0 HA MET A 50 -19.193 -0.197 -3.486 1.00 0.00 H new ATOM 0 HB2 MET A 50 -16.209 -0.244 -2.896 1.00 0.00 H new ATOM 0 HB3 MET A 50 -17.287 1.007 -2.312 1.00 0.00 H new ATOM 0 HG2 MET A 50 -18.632 -0.741 -1.125 1.00 0.00 H new ATOM 0 HG3 MET A 50 -17.494 -1.958 -1.668 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.611 1.557 1.115 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.934 1.369 -0.061 1.00 0.00 H new ATOM 0 HE3 MET A 50 -18.029 0.563 1.523 1.00 0.00 H new ATOM 850 N ASN A 51 -18.876 1.725 -5.001 1.00 0.00 N ATOM 851 CA ASN A 51 -18.794 2.815 -5.979 1.00 0.00 C ATOM 852 C ASN A 51 -18.240 4.090 -5.348 1.00 0.00 C ATOM 853 O ASN A 51 -18.426 4.335 -4.152 1.00 0.00 O ATOM 854 CB ASN A 51 -20.173 3.089 -6.585 1.00 0.00 C ATOM 855 CG ASN A 51 -20.607 2.006 -7.554 1.00 0.00 C ATOM 856 OD1 ASN A 51 -20.409 2.122 -8.763 1.00 0.00 O ATOM 857 ND2 ASN A 51 -21.197 0.941 -7.023 1.00 0.00 N ATOM 0 H ASN A 51 -19.729 1.732 -4.442 1.00 0.00 H new ATOM 0 HA ASN A 51 -18.110 2.503 -6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -20.908 3.172 -5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -20.155 4.049 -7.102 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -21.506 0.177 -7.624 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -21.341 0.887 -6.015 1.00 0.00 H new ATOM 864 N ASP A 52 -17.582 4.913 -6.182 1.00 0.00 N ATOM 865 CA ASP A 52 -16.973 6.184 -5.744 1.00 0.00 C ATOM 866 C ASP A 52 -18.019 7.210 -5.274 1.00 0.00 C ATOM 867 O ASP A 52 -17.669 8.207 -4.635 1.00 0.00 O ATOM 868 CB ASP A 52 -16.140 6.786 -6.880 1.00 0.00 C ATOM 869 CG ASP A 52 -14.866 6.006 -7.147 1.00 0.00 C ATOM 870 OD1 ASP A 52 -14.904 5.071 -7.975 1.00 0.00 O1- ATOM 871 OD2 ASP A 52 -13.831 6.330 -6.527 1.00 0.00 O ATOM 0 H ASP A 52 -17.457 4.719 -7.175 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.335 5.953 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.740 6.816 -7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.885 7.816 -6.632 1.00 0.00 H new ATOM 876 N GLU A 53 -19.293 6.951 -5.596 1.00 0.00 N ATOM 877 CA GLU A 53 -20.396 7.834 -5.205 1.00 0.00 C ATOM 878 C GLU A 53 -20.996 7.409 -3.859 1.00 0.00 C ATOM 879 O GLU A 53 -21.812 8.135 -3.280 1.00 0.00 O ATOM 880 CB GLU A 53 -21.486 7.836 -6.284 1.00 0.00 C ATOM 881 CG GLU A 53 -21.104 8.602 -7.544 1.00 0.00 C ATOM 882 CD GLU A 53 -22.198 8.580 -8.593 1.00 0.00 C ATOM 883 OE1 GLU A 53 -22.200 7.651 -9.429 1.00 0.00 O1- ATOM 884 OE2 GLU A 53 -23.051 9.492 -8.580 1.00 0.00 O ATOM 0 H GLU A 53 -19.585 6.132 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.995 8.842 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.719 6.806 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.395 8.270 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.878 9.636 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -20.194 8.173 -7.964 1.00 0.00 H new ATOM 891 N LYS A 54 -20.576 6.233 -3.369 1.00 0.00 N ATOM 892 CA LYS A 54 -21.061 5.698 -2.094 1.00 0.00 C ATOM 893 C LYS A 54 -20.030 5.926 -0.984 1.00 0.00 C ATOM 894 O LYS A 54 -18.912 6.379 -1.253 1.00 0.00 O ATOM 895 CB LYS A 54 -21.380 4.200 -2.233 1.00 0.00 C ATOM 896 CG LYS A 54 -22.564 3.901 -3.140 1.00 0.00 C ATOM 897 CD LYS A 54 -22.998 2.446 -3.028 1.00 0.00 C ATOM 898 CE LYS A 54 -24.182 2.137 -3.934 1.00 0.00 C ATOM 899 NZ LYS A 54 -23.792 2.073 -5.371 1.00 0.00 N1+ ATOM 0 H LYS A 54 -19.898 5.634 -3.841 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.975 6.226 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -20.500 3.686 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.580 3.788 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -23.398 4.552 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.298 4.124 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -22.162 1.796 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.264 2.225 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.625 1.187 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -24.948 2.901 -3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -24.270 2.834 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -22.762 2.188 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -24.071 1.152 -5.766 1.00 0.00 H new ATOM 913 N THR A 55 -20.413 5.614 0.262 1.00 0.00 N ATOM 914 CA THR A 55 -19.528 5.785 1.412 1.00 0.00 C ATOM 915 C THR A 55 -19.344 4.468 2.159 1.00 0.00 C ATOM 916 O THR A 55 -20.138 3.534 1.998 1.00 0.00 O ATOM 917 CB THR A 55 -20.055 6.854 2.399 1.00 0.00 C ATOM 918 OG1 THR A 55 -21.392 6.539 2.809 1.00 0.00 O ATOM 919 CG2 THR A 55 -20.025 8.248 1.787 1.00 0.00 C ATOM 0 H THR A 55 -21.333 5.241 0.495 1.00 0.00 H new ATOM 0 HA THR A 55 -18.570 6.121 1.017 1.00 0.00 H new ATOM 0 HB THR A 55 -19.396 6.848 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.893 6.185 2.045 1.00 0.00 H new ATOM 0 HG21 THR A 55 -20.402 8.971 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 55 -19.001 8.505 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.651 8.267 0.895 1.00 0.00 H new ATOM 927 N ALA A 56 -18.299 4.413 2.998 1.00 0.00 N ATOM 928 CA ALA A 56 -17.977 3.220 3.792 1.00 0.00 C ATOM 929 C ALA A 56 -19.120 2.821 4.734 1.00 0.00 C ATOM 930 O ALA A 56 -19.326 1.631 4.999 1.00 0.00 O ATOM 931 CB ALA A 56 -16.703 3.460 4.578 1.00 0.00 C ATOM 0 H ALA A 56 -17.656 5.191 3.144 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.832 2.390 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.466 2.574 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.884 3.668 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.842 4.311 5.244 1.00 0.00 H new ATOM 937 N ALA A 57 -19.866 3.828 5.225 1.00 0.00 N ATOM 938 CA ALA A 57 -21.008 3.600 6.124 1.00 0.00 C ATOM 939 C ALA A 57 -22.126 2.809 5.433 1.00 0.00 C ATOM 940 O ALA A 57 -22.832 2.027 6.079 1.00 0.00 O ATOM 941 CB ALA A 57 -21.545 4.927 6.637 1.00 0.00 C ATOM 0 H ALA A 57 -19.696 4.811 5.012 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.653 3.005 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.390 4.745 7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -20.760 5.450 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.870 5.538 5.795 1.00 0.00 H new ATOM 947 N ASP A 58 -22.253 2.995 4.103 1.00 0.00 N ATOM 948 CA ASP A 58 -23.271 2.307 3.296 1.00 0.00 C ATOM 949 C ASP A 58 -23.048 0.787 3.257 1.00 0.00 C ATOM 950 O ASP A 58 -23.952 0.030 2.893 1.00 0.00 O ATOM 951 CB ASP A 58 -23.272 2.863 1.871 1.00 0.00 C ATOM 952 CG ASP A 58 -23.961 4.209 1.773 1.00 0.00 C ATOM 953 OD1 ASP A 58 -25.188 4.266 1.999 1.00 0.00 O ATOM 954 OD2 ASP A 58 -23.275 5.206 1.464 1.00 0.00 O1- ATOM 0 H ASP A 58 -21.655 3.623 3.565 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.237 2.489 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.244 2.958 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.770 2.155 1.209 1.00 0.00 H new ATOM 959 N TYR A 59 -21.835 0.363 3.635 1.00 0.00 N ATOM 960 CA TYR A 59 -21.472 -1.051 3.666 1.00 0.00 C ATOM 961 C TYR A 59 -21.187 -1.508 5.107 1.00 0.00 C ATOM 962 O TYR A 59 -20.543 -2.541 5.330 1.00 0.00 O ATOM 963 CB TYR A 59 -20.261 -1.297 2.757 1.00 0.00 C ATOM 964 CG TYR A 59 -20.588 -1.250 1.278 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.659 -0.039 0.597 1.00 0.00 C ATOM 966 CD2 TYR A 59 -20.827 -2.417 0.564 1.00 0.00 C ATOM 967 CE1 TYR A 59 -20.957 0.005 -0.752 1.00 0.00 C ATOM 968 CE2 TYR A 59 -21.125 -2.381 -0.785 1.00 0.00 C ATOM 969 CZ TYR A 59 -21.190 -1.168 -1.438 1.00 0.00 C ATOM 970 OH TYR A 59 -21.487 -1.129 -2.781 1.00 0.00 O ATOM 0 H TYR A 59 -21.085 0.990 3.926 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.310 -1.641 3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.497 -0.550 2.975 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -19.832 -2.271 2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.478 0.882 1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.779 -3.369 1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -21.007 0.953 -1.266 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.306 -3.298 -1.325 1.00 0.00 H new ATOM 0 HH TYR A 59 -20.799 -1.615 -3.282 1.00 0.00 H new ATOM 980 N LYS A 60 -21.701 -0.723 6.089 1.00 0.00 N ATOM 981 CA LYS A 60 -21.562 -0.985 7.550 1.00 0.00 C ATOM 982 C LYS A 60 -20.129 -1.376 7.991 1.00 0.00 C ATOM 983 O LYS A 60 -19.947 -2.151 8.940 1.00 0.00 O ATOM 984 CB LYS A 60 -22.616 -2.023 8.055 1.00 0.00 C ATOM 985 CG LYS A 60 -22.717 -3.340 7.269 1.00 0.00 C ATOM 986 CD LYS A 60 -21.631 -4.334 7.663 1.00 0.00 C ATOM 987 CE LYS A 60 -21.771 -5.642 6.902 1.00 0.00 C ATOM 988 NZ LYS A 60 -20.741 -6.637 7.313 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.233 0.124 5.887 1.00 0.00 H new ATOM 0 HA LYS A 60 -21.765 -0.028 8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.387 -2.263 9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.596 -1.545 8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -23.696 -3.788 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.644 -3.130 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.651 -3.900 7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.685 -4.528 8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.765 -6.057 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.685 -5.451 5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -20.666 -7.379 6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -19.822 -6.162 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -21.015 -7.066 8.220 1.00 0.00 H new ATOM 1002 N ILE A 61 -19.119 -0.808 7.317 1.00 0.00 N ATOM 1003 CA ILE A 61 -17.707 -1.081 7.639 1.00 0.00 C ATOM 1004 C ILE A 61 -17.277 -0.269 8.871 1.00 0.00 C ATOM 1005 O ILE A 61 -17.502 0.943 8.932 1.00 0.00 O ATOM 1006 CB ILE A 61 -16.768 -0.759 6.437 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.310 -1.384 5.138 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.346 -1.263 6.701 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.028 -0.563 3.894 1.00 0.00 C ATOM 0 H ILE A 61 -19.252 -0.156 6.544 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.619 -2.145 7.856 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.738 0.325 6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -16.873 -2.375 5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.387 -1.520 5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.711 -1.026 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -14.949 -0.780 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.364 -2.343 6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.441 -1.070 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.489 0.420 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.951 -0.448 3.770 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.661 -0.957 9.839 1.00 0.00 N ATOM 1022 CA LEU A 62 -16.209 -0.324 11.080 1.00 0.00 C ATOM 1023 C LEU A 62 -14.735 -0.638 11.368 1.00 0.00 C ATOM 1024 O LEU A 62 -14.118 -1.474 10.689 1.00 0.00 O ATOM 1025 CB LEU A 62 -17.093 -0.784 12.254 1.00 0.00 C ATOM 1026 CG LEU A 62 -18.547 -0.293 12.222 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -19.457 -1.283 12.931 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -18.667 1.085 12.864 1.00 0.00 C ATOM 0 H LEU A 62 -16.464 -1.956 9.785 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.299 0.756 10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.097 -1.874 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.635 -0.447 13.184 1.00 0.00 H new ATOM 0 HG LEU A 62 -18.857 -0.216 11.180 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -20.484 -0.920 12.899 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -19.399 -2.251 12.434 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -19.141 -1.389 13.969 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.706 1.413 12.830 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.337 1.033 13.901 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -18.044 1.795 12.320 1.00 0.00 H new ATOM 1040 N GLY A 63 -14.182 0.039 12.398 1.00 0.00 N ATOM 1041 CA GLY A 63 -12.786 -0.146 12.799 1.00 0.00 C ATOM 1042 C GLY A 63 -12.449 -1.587 13.140 1.00 0.00 C ATOM 1043 O GLY A 63 -12.891 -2.111 14.168 1.00 0.00 O ATOM 0 H GLY A 63 -14.690 0.719 12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.135 0.192 11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.576 0.484 13.663 1.00 0.00 H new ATOM 1047 N GLY A 64 -11.661 -2.214 12.267 1.00 0.00 N ATOM 1048 CA GLY A 64 -11.269 -3.600 12.454 1.00 0.00 C ATOM 1049 C GLY A 64 -11.765 -4.508 11.339 1.00 0.00 C ATOM 1050 O GLY A 64 -11.496 -5.713 11.359 1.00 0.00 O ATOM 0 H GLY A 64 -11.284 -1.779 11.425 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.182 -3.661 12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.658 -3.957 13.408 1.00 0.00 H new ATOM 1054 N SER A 65 -12.493 -3.930 10.363 1.00 0.00 N ATOM 1055 CA SER A 65 -13.026 -4.691 9.230 1.00 0.00 C ATOM 1056 C SER A 65 -11.961 -4.913 8.155 1.00 0.00 C ATOM 1057 O SER A 65 -11.092 -4.060 7.943 1.00 0.00 O ATOM 1058 CB SER A 65 -14.228 -3.964 8.627 1.00 0.00 C ATOM 1059 OG SER A 65 -15.273 -3.833 9.574 1.00 0.00 O ATOM 0 H SER A 65 -12.722 -2.936 10.342 1.00 0.00 H new ATOM 0 HA SER A 65 -13.340 -5.666 9.602 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.923 -2.977 8.279 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.589 -4.512 7.756 1.00 0.00 H new ATOM 0 HG SER A 65 -15.043 -3.133 10.220 1.00 0.00 H new ATOM 1065 N VAL A 66 -12.044 -6.069 7.490 1.00 0.00 N ATOM 1066 CA VAL A 66 -11.100 -6.439 6.430 1.00 0.00 C ATOM 1067 C VAL A 66 -11.697 -6.093 5.061 1.00 0.00 C ATOM 1068 O VAL A 66 -12.764 -6.598 4.697 1.00 0.00 O ATOM 1069 CB VAL A 66 -10.733 -7.956 6.480 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -9.569 -8.285 5.545 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -10.392 -8.399 7.901 1.00 0.00 C ATOM 0 H VAL A 66 -12.762 -6.771 7.669 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.183 -5.872 6.589 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.613 -8.503 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.342 -9.349 5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.842 -8.031 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.692 -7.709 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.141 -9.460 7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.541 -7.825 8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.250 -8.229 8.551 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.998 -5.229 4.319 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.446 -4.801 2.992 1.00 0.00 C ATOM 1083 C LEU A 67 -10.615 -5.455 1.893 1.00 0.00 C ATOM 1084 O LEU A 67 -9.396 -5.599 2.029 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.366 -3.271 2.863 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.276 -2.458 3.802 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -11.774 -1.030 3.905 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.722 -2.469 3.315 1.00 0.00 C ATOM 0 H LEU A 67 -10.116 -4.811 4.617 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.483 -5.116 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.334 -2.967 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.607 -3.001 1.835 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.246 -2.923 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.424 -0.463 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.759 -1.029 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.778 -0.571 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.340 -1.887 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -13.773 -2.032 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.087 -3.496 3.281 1.00 0.00 H new ATOM 1100 N HIS A 68 -11.291 -5.847 0.807 1.00 0.00 N ATOM 1101 CA HIS A 68 -10.639 -6.485 -0.338 1.00 0.00 C ATOM 1102 C HIS A 68 -10.343 -5.463 -1.432 1.00 0.00 C ATOM 1103 O HIS A 68 -11.213 -4.664 -1.790 1.00 0.00 O ATOM 1104 CB HIS A 68 -11.524 -7.604 -0.904 1.00 0.00 C ATOM 1105 CG HIS A 68 -11.714 -8.768 0.027 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -12.941 -9.119 0.550 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -10.827 -9.666 0.521 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -12.801 -10.180 1.325 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -11.529 -10.532 1.323 1.00 0.00 N ATOM 0 H HIS A 68 -12.299 -5.731 0.699 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.698 -6.913 0.007 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.501 -7.189 -1.153 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -11.084 -7.965 -1.834 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -9.766 -9.695 0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -13.593 -10.675 1.868 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -11.132 -11.320 1.834 1.00 0.00 H new ATOM 1118 N LEU A 69 -9.113 -5.495 -1.954 1.00 0.00 N ATOM 1119 CA LEU A 69 -8.695 -4.576 -3.011 1.00 0.00 C ATOM 1120 C LEU A 69 -8.319 -5.343 -4.279 1.00 0.00 C ATOM 1121 O LEU A 69 -7.476 -6.245 -4.242 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.513 -3.717 -2.527 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.245 -2.427 -3.320 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -8.130 -1.288 -2.827 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -5.778 -2.041 -3.221 1.00 0.00 C ATOM 0 H LEU A 69 -8.389 -6.150 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.531 -3.919 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.688 -3.449 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.611 -4.329 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.488 -2.615 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.920 -0.388 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.178 -1.562 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.926 -1.099 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.603 -1.126 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.515 -1.877 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.162 -2.843 -3.629 1.00 0.00 H new ATOM 1137 N VAL A 70 -8.961 -4.973 -5.391 1.00 0.00 N ATOM 1138 CA VAL A 70 -8.711 -5.609 -6.689 1.00 0.00 C ATOM 1139 C VAL A 70 -8.134 -4.580 -7.666 1.00 0.00 C ATOM 1140 O VAL A 70 -8.747 -3.538 -7.912 1.00 0.00 O ATOM 1141 CB VAL A 70 -10.003 -6.246 -7.296 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -9.665 -7.214 -8.429 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -10.827 -6.966 -6.232 1.00 0.00 C ATOM 0 H VAL A 70 -9.662 -4.232 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.995 -6.415 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.599 -5.427 -7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.585 -7.640 -8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.138 -6.679 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.031 -8.014 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.717 -7.396 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.229 -7.760 -5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.124 -6.256 -5.460 1.00 0.00 H new ATOM 1153 N LEU A 71 -6.954 -4.892 -8.212 1.00 0.00 N ATOM 1154 CA LEU A 71 -6.273 -4.009 -9.160 1.00 0.00 C ATOM 1155 C LEU A 71 -6.570 -4.408 -10.603 1.00 0.00 C ATOM 1156 O LEU A 71 -6.891 -5.566 -10.884 1.00 0.00 O ATOM 1157 CB LEU A 71 -4.758 -4.028 -8.912 1.00 0.00 C ATOM 1158 CG LEU A 71 -4.284 -3.279 -7.660 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -4.409 -4.152 -6.420 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -2.849 -2.807 -7.836 1.00 0.00 C ATOM 0 H LEU A 71 -6.449 -5.755 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.650 -2.998 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.433 -5.066 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.260 -3.599 -9.781 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.924 -2.408 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.066 -3.596 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.451 -4.439 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.799 -5.047 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.528 -2.277 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.201 -3.667 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.789 -2.137 -8.694 1.00 0.00 H new ATOM 1172 N ALA A 72 -6.453 -3.430 -11.509 1.00 0.00 N ATOM 1173 CA ALA A 72 -6.703 -3.647 -12.934 1.00 0.00 C ATOM 1174 C ALA A 72 -5.406 -3.924 -13.688 1.00 0.00 C ATOM 1175 O ALA A 72 -4.389 -3.268 -13.447 1.00 0.00 O ATOM 1176 CB ALA A 72 -7.416 -2.443 -13.532 1.00 0.00 C ATOM 0 H ALA A 72 -6.184 -2.474 -11.275 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.342 -4.524 -13.034 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.596 -2.617 -14.593 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.368 -2.293 -13.022 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.795 -1.555 -13.410 1.00 0.00 H new ATOM 1182 N LEU A 73 -5.459 -4.899 -14.600 1.00 0.00 N ATOM 1183 CA LEU A 73 -4.298 -5.281 -15.405 1.00 0.00 C ATOM 1184 C LEU A 73 -4.532 -4.975 -16.880 1.00 0.00 C ATOM 1185 O LEU A 73 -5.658 -5.093 -17.373 1.00 0.00 O ATOM 1186 CB LEU A 73 -3.987 -6.774 -15.225 1.00 0.00 C ATOM 1187 CG LEU A 73 -3.486 -7.186 -13.834 1.00 0.00 C ATOM 1188 CD1 LEU A 73 -4.652 -7.498 -12.905 1.00 0.00 C ATOM 1189 CD2 LEU A 73 -2.553 -8.383 -13.940 1.00 0.00 C ATOM 0 H LEU A 73 -6.300 -5.441 -14.799 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.445 -4.696 -15.061 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.889 -7.344 -15.450 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.236 -7.061 -15.961 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.932 -6.349 -13.410 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.270 -7.787 -11.926 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.282 -6.614 -12.802 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.240 -8.316 -13.321 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.206 -8.663 -12.945 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.086 -9.221 -14.388 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.697 -8.123 -14.563 1.00 0.00 H new ATOM 1201 N ARG A 74 -3.460 -4.580 -17.572 1.00 0.00 N ATOM 1202 CA ARG A 74 -3.527 -4.251 -18.996 1.00 0.00 C ATOM 1203 C ARG A 74 -2.783 -5.298 -19.825 1.00 0.00 C ATOM 1204 O ARG A 74 -1.727 -5.788 -19.413 1.00 0.00 O ATOM 1205 CB ARG A 74 -2.934 -2.858 -19.244 1.00 0.00 C ATOM 1206 CG ARG A 74 -3.558 -2.119 -20.421 1.00 0.00 C ATOM 1207 CD ARG A 74 -2.920 -0.754 -20.622 1.00 0.00 C ATOM 1208 NE ARG A 74 -3.513 -0.032 -21.755 1.00 0.00 N ATOM 1209 CZ ARG A 74 -3.089 1.156 -22.208 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -2.063 1.785 -21.638 1.00 0.00 N1+ ATOM 1211 NH2 ARG A 74 -3.702 1.718 -23.241 1.00 0.00 N ATOM 0 H ARG A 74 -2.530 -4.480 -17.165 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.573 -4.249 -19.303 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.058 -2.256 -18.344 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.862 -2.956 -19.417 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.443 -2.713 -21.328 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.628 -2.000 -20.252 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.036 -0.162 -19.714 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.850 -0.875 -20.789 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.304 -0.466 -22.231 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.585 1.363 -20.842 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.755 2.689 -21.998 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.490 1.246 -23.685 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.385 2.622 -23.592 1.00 0.00 H new ATOM 1225 N GLY A 75 -3.348 -5.628 -20.990 1.00 0.00 N ATOM 1226 CA GLY A 75 -2.743 -6.612 -21.876 1.00 0.00 C ATOM 1227 C GLY A 75 -3.767 -7.546 -22.492 1.00 0.00 C ATOM 1228 O GLY A 75 -4.732 -7.938 -21.829 1.00 0.00 O ATOM 0 H GLY A 75 -4.220 -5.227 -21.336 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.202 -6.097 -22.670 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.011 -7.197 -21.319 1.00 0.00 H new ATOM 1232 N GLY A 76 -3.550 -7.897 -23.763 1.00 0.00 N ATOM 1233 CA GLY A 76 -4.458 -8.788 -24.471 1.00 0.00 C ATOM 1234 C GLY A 76 -3.783 -9.510 -25.620 1.00 0.00 C ATOM 1235 O GLY A 76 -3.795 -8.974 -26.748 1.00 0.00 O ATOM 0 H GLY A 76 -2.755 -7.576 -24.316 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.861 -9.521 -23.772 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.302 -8.213 -24.853 1.00 0.00 H new TER 1239 GLY A 76 ATOM 1240 N GLY B 77 17.199 -2.245 -17.753 1.00 0.00 N ATOM 1241 CA GLY B 77 16.678 -1.849 -16.415 1.00 0.00 C ATOM 1242 C GLY B 77 17.756 -1.855 -15.349 1.00 0.00 C ATOM 1243 O GLY B 77 18.524 -2.815 -15.243 1.00 0.00 O ATOM 0 HA2 GLY B 77 16.240 -0.853 -16.479 1.00 0.00 H new ATOM 0 HA3 GLY B 77 15.879 -2.530 -16.123 1.00 0.00 H new ATOM 1249 N GLY B 78 17.805 -0.775 -14.561 1.00 0.00 N ATOM 1250 CA GLY B 78 18.793 -0.656 -13.498 1.00 0.00 C ATOM 1251 C GLY B 78 18.334 0.259 -12.380 1.00 0.00 C ATOM 1252 O GLY B 78 17.475 -0.124 -11.582 1.00 0.00 O ATOM 0 H GLY B 78 17.173 0.022 -14.643 1.00 0.00 H new ATOM 0 HA2 GLY B 78 19.005 -1.645 -13.091 1.00 0.00 H new ATOM 0 HA3 GLY B 78 19.726 -0.276 -13.914 1.00 0.00 H new ATOM 1256 N ILE B 79 18.919 1.476 -12.339 1.00 0.00 N ATOM 1257 CA ILE B 79 18.623 2.532 -11.327 1.00 0.00 C ATOM 1258 C ILE B 79 18.553 1.999 -9.884 1.00 0.00 C ATOM 1259 O ILE B 79 17.623 1.276 -9.519 1.00 0.00 O ATOM 1260 CB ILE B 79 17.348 3.387 -11.656 1.00 0.00 C ATOM 1261 CG1 ILE B 79 16.091 2.537 -11.918 1.00 0.00 C ATOM 1262 CG2 ILE B 79 17.619 4.293 -12.849 1.00 0.00 C ATOM 1263 CD1 ILE B 79 15.128 2.503 -10.751 1.00 0.00 C ATOM 0 H ILE B 79 19.624 1.764 -13.018 1.00 0.00 H new ATOM 0 HA ILE B 79 19.484 3.197 -11.391 1.00 0.00 H new ATOM 0 HB ILE B 79 17.141 3.985 -10.769 1.00 0.00 H new ATOM 0 HG12 ILE B 79 15.574 2.929 -12.794 1.00 0.00 H new ATOM 0 HG13 ILE B 79 16.395 1.518 -12.157 1.00 0.00 H new ATOM 0 HG21 ILE B 79 16.728 4.882 -13.069 1.00 0.00 H new ATOM 0 HG22 ILE B 79 18.448 4.962 -12.617 1.00 0.00 H new ATOM 0 HG23 ILE B 79 17.875 3.685 -13.717 1.00 0.00 H new ATOM 0 HD11 ILE B 79 14.267 1.886 -11.008 1.00 0.00 H new ATOM 0 HD12 ILE B 79 15.628 2.083 -9.879 1.00 0.00 H new ATOM 0 HD13 ILE B 79 14.794 3.516 -10.525 1.00 0.00 H new ATOM 1275 N ARG B 80 19.547 2.385 -9.077 1.00 0.00 N ATOM 1276 CA ARG B 80 19.634 1.951 -7.678 1.00 0.00 C ATOM 1277 C ARG B 80 19.027 2.992 -6.737 1.00 0.00 C ATOM 1278 O ARG B 80 19.182 4.198 -6.952 1.00 0.00 O ATOM 1279 CB ARG B 80 21.100 1.681 -7.283 1.00 0.00 C ATOM 1280 CG ARG B 80 21.814 0.632 -8.141 1.00 0.00 C ATOM 1281 CD ARG B 80 21.449 -0.791 -7.734 1.00 0.00 C ATOM 1282 NE ARG B 80 21.928 -1.783 -8.702 1.00 0.00 N ATOM 1283 CZ ARG B 80 21.330 -2.958 -8.941 1.00 0.00 C ATOM 1284 NH1 ARG B 80 20.225 -3.309 -8.288 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 21.837 -3.784 -9.845 1.00 0.00 N ATOM 0 H ARG B 80 20.306 3.000 -9.370 1.00 0.00 H new ATOM 0 HA ARG B 80 19.064 1.027 -7.584 1.00 0.00 H new ATOM 0 HB2 ARG B 80 21.656 2.617 -7.342 1.00 0.00 H new ATOM 0 HB3 ARG B 80 21.128 1.358 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG B 80 21.556 0.786 -9.189 1.00 0.00 H new ATOM 0 HG3 ARG B 80 22.892 0.767 -8.055 1.00 0.00 H new ATOM 0 HD2 ARG B 80 21.874 -1.007 -6.754 1.00 0.00 H new ATOM 0 HD3 ARG B 80 20.366 -0.873 -7.637 1.00 0.00 H new ATOM 0 HE ARG B 80 22.773 -1.564 -9.229 1.00 0.00 H new ATOM 0 HH11 ARG B 80 19.821 -2.680 -7.594 1.00 0.00 H new ATOM 0 HH12 ARG B 80 19.782 -4.207 -8.482 1.00 0.00 H new ATOM 0 HH21 ARG B 80 22.680 -3.525 -10.357 1.00 0.00 H new ATOM 0 HH22 ARG B 80 21.384 -4.679 -10.029 1.00 0.00 H new ATOM 1299 N LYS B 81 18.335 2.507 -5.699 1.00 0.00 N ATOM 1300 CA LYS B 81 17.694 3.380 -4.706 1.00 0.00 C ATOM 1301 C LYS B 81 18.074 2.978 -3.269 1.00 0.00 C ATOM 1302 O LYS B 81 17.408 3.372 -2.304 1.00 0.00 O ATOM 1303 CB LYS B 81 16.166 3.348 -4.878 1.00 0.00 C ATOM 1304 CG LYS B 81 15.663 4.079 -6.124 1.00 0.00 C ATOM 1305 CD LYS B 81 14.156 4.344 -6.071 1.00 0.00 C ATOM 1306 CE LYS B 81 13.342 3.209 -6.689 1.00 0.00 C ATOM 1307 NZ LYS B 81 13.369 3.247 -8.178 1.00 0.00 N1+ ATOM 0 H LYS B 81 18.204 1.511 -5.524 1.00 0.00 H new ATOM 0 HA LYS B 81 18.054 4.395 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS B 81 15.838 2.310 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS B 81 15.702 3.792 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS B 81 16.193 5.026 -6.226 1.00 0.00 H new ATOM 0 HG3 LYS B 81 15.895 3.487 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS B 81 13.851 4.483 -5.034 1.00 0.00 H new ATOM 0 HD3 LYS B 81 13.935 5.273 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS B 81 13.734 2.252 -6.344 1.00 0.00 H new ATOM 0 HE3 LYS B 81 12.310 3.274 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 13.313 2.278 -8.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 12.559 3.799 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 14.254 3.691 -8.498 1.00 0.00 H new ATOM 1321 N THR B 82 19.171 2.208 -3.136 1.00 0.00 N ATOM 1322 CA THR B 82 19.674 1.729 -1.829 1.00 0.00 C ATOM 1323 C THR B 82 19.957 2.872 -0.849 1.00 0.00 C ATOM 1324 O THR B 82 19.673 2.763 0.346 1.00 0.00 O ATOM 1325 CB THR B 82 20.969 0.899 -1.977 1.00 0.00 C ATOM 1326 OG1 THR B 82 21.898 1.585 -2.826 1.00 0.00 O ATOM 1327 CG2 THR B 82 20.689 -0.487 -2.543 1.00 0.00 C ATOM 0 H THR B 82 19.734 1.900 -3.928 1.00 0.00 H new ATOM 0 HA THR B 82 18.874 1.105 -1.432 1.00 0.00 H new ATOM 0 HB THR B 82 21.397 0.778 -0.982 1.00 0.00 H new ATOM 0 HG1 THR B 82 22.716 1.053 -2.913 1.00 0.00 H new ATOM 0 HG21 THR B 82 21.624 -1.039 -2.632 1.00 0.00 H new ATOM 0 HG22 THR B 82 20.013 -1.023 -1.876 1.00 0.00 H new ATOM 0 HG23 THR B 82 20.229 -0.392 -3.526 1.00 0.00 H new ATOM 1335 N ARG B 83 20.532 3.959 -1.374 1.00 0.00 N ATOM 1336 CA ARG B 83 20.907 5.137 -0.578 1.00 0.00 C ATOM 1337 C ARG B 83 19.743 5.769 0.205 1.00 0.00 C ATOM 1338 O ARG B 83 19.929 6.141 1.356 1.00 0.00 O ATOM 1339 CB ARG B 83 21.546 6.197 -1.483 1.00 0.00 C ATOM 1340 CG ARG B 83 22.968 5.858 -1.916 1.00 0.00 C ATOM 1341 CD ARG B 83 23.531 6.899 -2.874 1.00 0.00 C ATOM 1342 NE ARG B 83 22.964 6.779 -4.223 1.00 0.00 N ATOM 1343 CZ ARG B 83 23.578 7.176 -5.348 1.00 0.00 C ATOM 1344 NH1 ARG B 83 24.790 7.727 -5.314 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 22.971 7.017 -6.517 1.00 0.00 N ATOM 0 H ARG B 83 20.752 4.049 -2.366 1.00 0.00 H new ATOM 0 HA ARG B 83 21.618 4.777 0.166 1.00 0.00 H new ATOM 0 HB2 ARG B 83 20.926 6.325 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG B 83 21.554 7.153 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.609 5.789 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.978 4.879 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG B 83 23.327 7.896 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG B 83 24.615 6.793 -2.927 1.00 0.00 H new ATOM 0 HE ARG B 83 22.036 6.364 -4.311 1.00 0.00 H new ATOM 0 HH11 ARG B 83 25.268 7.854 -4.422 1.00 0.00 H new ATOM 0 HH12 ARG B 83 25.240 8.022 -6.180 1.00 0.00 H new ATOM 0 HH21 ARG B 83 22.043 6.595 -6.557 1.00 0.00 H new ATOM 0 HH22 ARG B 83 23.432 7.317 -7.376 1.00 0.00 H new ATOM 1359 N GLU B 84 18.553 5.886 -0.413 1.00 0.00 N ATOM 1360 CA GLU B 84 17.395 6.515 0.234 1.00 0.00 C ATOM 1361 C GLU B 84 16.766 5.567 1.239 1.00 0.00 C ATOM 1362 O GLU B 84 16.364 5.949 2.340 1.00 0.00 O ATOM 1363 CB GLU B 84 16.361 6.945 -0.813 1.00 0.00 C ATOM 1364 CG GLU B 84 16.754 8.191 -1.591 1.00 0.00 C ATOM 1365 CD GLU B 84 15.721 8.581 -2.630 1.00 0.00 C ATOM 1366 OE1 GLU B 84 15.778 8.040 -3.756 1.00 0.00 O1- ATOM 1367 OE2 GLU B 84 14.856 9.426 -2.320 1.00 0.00 O ATOM 0 H GLU B 84 18.372 5.552 -1.360 1.00 0.00 H new ATOM 0 HA GLU B 84 17.740 7.403 0.764 1.00 0.00 H new ATOM 0 HB2 GLU B 84 16.205 6.125 -1.514 1.00 0.00 H new ATOM 0 HB3 GLU B 84 15.408 7.125 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU B 84 16.895 9.019 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU B 84 17.712 8.021 -2.083 1.00 0.00 H new ATOM 1374 N THR B 85 16.708 4.316 0.796 1.00 0.00 N ATOM 1375 CA THR B 85 16.110 3.205 1.515 1.00 0.00 C ATOM 1376 C THR B 85 16.869 2.809 2.776 1.00 0.00 C ATOM 1377 O THR B 85 16.282 2.671 3.846 1.00 0.00 O ATOM 1378 CB THR B 85 15.993 2.017 0.559 1.00 0.00 C ATOM 1379 OG1 THR B 85 17.280 1.666 0.036 1.00 0.00 O ATOM 1380 CG2 THR B 85 15.059 2.396 -0.579 1.00 0.00 C ATOM 0 H THR B 85 17.092 4.041 -0.108 1.00 0.00 H new ATOM 0 HA THR B 85 15.127 3.525 1.860 1.00 0.00 H new ATOM 0 HB THR B 85 15.596 1.156 1.097 1.00 0.00 H new ATOM 0 HG1 THR B 85 17.468 2.206 -0.760 1.00 0.00 H new ATOM 0 HG21 THR B 85 14.967 1.557 -1.269 1.00 0.00 H new ATOM 0 HG22 THR B 85 14.077 2.645 -0.176 1.00 0.00 H new ATOM 0 HG23 THR B 85 15.463 3.259 -1.109 1.00 0.00 H new ATOM 1388 N GLU B 86 18.169 2.596 2.646 1.00 0.00 N ATOM 1389 CA GLU B 86 18.995 2.248 3.794 1.00 0.00 C ATOM 1390 C GLU B 86 19.204 3.483 4.699 1.00 0.00 C ATOM 1391 O GLU B 86 19.183 3.361 5.921 1.00 0.00 O ATOM 1392 CB GLU B 86 20.290 1.562 3.340 1.00 0.00 C ATOM 1393 CG GLU B 86 21.192 1.086 4.474 1.00 0.00 C ATOM 1394 CD GLU B 86 22.366 0.266 3.979 1.00 0.00 C ATOM 1395 OE1 GLU B 86 22.217 -0.969 3.857 1.00 0.00 O1- ATOM 1396 OE2 GLU B 86 23.434 0.856 3.714 1.00 0.00 O ATOM 0 H GLU B 86 18.674 2.657 1.762 1.00 0.00 H new ATOM 0 HA GLU B 86 18.482 1.513 4.414 1.00 0.00 H new ATOM 0 HB2 GLU B 86 20.032 0.706 2.716 1.00 0.00 H new ATOM 0 HB3 GLU B 86 20.852 2.255 2.714 1.00 0.00 H new ATOM 0 HG2 GLU B 86 21.564 1.950 5.025 1.00 0.00 H new ATOM 0 HG3 GLU B 86 20.606 0.490 5.174 1.00 0.00 H new ATOM 1403 N ARG B 87 19.406 4.670 4.090 1.00 0.00 N ATOM 1404 CA ARG B 87 19.576 5.926 4.853 1.00 0.00 C ATOM 1405 C ARG B 87 18.313 6.253 5.670 1.00 0.00 C ATOM 1406 O ARG B 87 18.421 6.705 6.812 1.00 0.00 O ATOM 1407 CB ARG B 87 19.916 7.099 3.929 1.00 0.00 C ATOM 1408 CG ARG B 87 20.844 8.129 4.556 1.00 0.00 C ATOM 1409 CD ARG B 87 21.205 9.228 3.571 1.00 0.00 C ATOM 1410 NE ARG B 87 22.125 10.211 4.155 1.00 0.00 N ATOM 1411 CZ ARG B 87 22.881 11.064 3.449 1.00 0.00 C ATOM 1412 NH1 ARG B 87 22.847 11.076 2.117 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 23.679 11.911 4.085 1.00 0.00 N ATOM 0 H ARG B 87 19.455 4.786 3.078 1.00 0.00 H new ATOM 0 HA ARG B 87 20.409 5.775 5.540 1.00 0.00 H new ATOM 0 HB2 ARG B 87 20.379 6.712 3.022 1.00 0.00 H new ATOM 0 HB3 ARG B 87 18.991 7.592 3.629 1.00 0.00 H new ATOM 0 HG2 ARG B 87 20.364 8.567 5.431 1.00 0.00 H new ATOM 0 HG3 ARG B 87 21.753 7.637 4.903 1.00 0.00 H new ATOM 0 HD2 ARG B 87 21.662 8.785 2.686 1.00 0.00 H new ATOM 0 HD3 ARG B 87 20.297 9.733 3.242 1.00 0.00 H new ATOM 0 HE ARG B 87 22.194 10.248 5.172 1.00 0.00 H new ATOM 0 HH11 ARG B 87 22.238 10.429 1.617 1.00 0.00 H new ATOM 0 HH12 ARG B 87 23.430 11.733 1.598 1.00 0.00 H new ATOM 0 HH21 ARG B 87 23.715 11.910 5.104 1.00 0.00 H new ATOM 0 HH22 ARG B 87 24.257 12.563 3.555 1.00 0.00 H new ATOM 1427 N LEU B 88 17.118 6.037 5.063 1.00 0.00 N ATOM 1428 CA LEU B 88 15.820 6.271 5.742 1.00 0.00 C ATOM 1429 C LEU B 88 15.792 5.519 7.069 1.00 0.00 C ATOM 1430 O LEU B 88 15.656 6.082 8.158 1.00 0.00 O ATOM 1431 CB LEU B 88 14.619 5.759 4.859 1.00 0.00 C ATOM 1432 CG LEU B 88 14.175 4.267 5.102 1.00 0.00 C ATOM 1433 CD1 LEU B 88 13.146 4.112 6.221 1.00 0.00 C ATOM 1434 CD2 LEU B 88 13.654 3.580 3.866 1.00 0.00 C ATOM 0 H LEU B 88 17.028 5.701 4.104 1.00 0.00 H new ATOM 0 HA LEU B 88 15.716 7.344 5.905 1.00 0.00 H new ATOM 0 HB2 LEU B 88 13.761 6.407 5.036 1.00 0.00 H new ATOM 0 HB3 LEU B 88 14.891 5.871 3.809 1.00 0.00 H new ATOM 0 HG LEU B 88 15.100 3.778 5.406 1.00 0.00 H new ATOM 0 HD11 LEU B 88 12.886 3.059 6.333 1.00 0.00 H new ATOM 0 HD12 LEU B 88 13.566 4.484 7.156 1.00 0.00 H new ATOM 0 HD13 LEU B 88 12.251 4.682 5.974 1.00 0.00 H new ATOM 0 HD21 LEU B 88 13.368 2.557 4.111 1.00 0.00 H new ATOM 0 HD22 LEU B 88 12.785 4.119 3.489 1.00 0.00 H new ATOM 0 HD23 LEU B 88 14.432 3.566 3.102 1.00 0.00 H new ATOM 1446 N ARG B 89 15.943 4.217 6.885 1.00 0.00 N ATOM 1447 CA ARG B 89 15.893 3.207 7.927 1.00 0.00 C ATOM 1448 C ARG B 89 17.047 3.340 8.940 1.00 0.00 C ATOM 1449 O ARG B 89 16.828 3.179 10.144 1.00 0.00 O ATOM 1450 CB ARG B 89 15.833 1.829 7.230 1.00 0.00 C ATOM 1451 CG ARG B 89 15.385 0.675 8.134 1.00 0.00 C ATOM 1452 CD ARG B 89 16.539 0.062 8.920 1.00 0.00 C ATOM 1453 NE ARG B 89 16.077 -0.961 9.865 1.00 0.00 N ATOM 1454 CZ ARG B 89 16.618 -1.188 11.070 1.00 0.00 C ATOM 1455 NH1 ARG B 89 17.652 -0.470 11.508 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 16.119 -2.143 11.844 1.00 0.00 N ATOM 0 H ARG B 89 16.112 3.818 5.961 1.00 0.00 H new ATOM 0 HA ARG B 89 15.001 3.339 8.540 1.00 0.00 H new ATOM 0 HB2 ARG B 89 15.151 1.895 6.382 1.00 0.00 H new ATOM 0 HB3 ARG B 89 16.819 1.597 6.828 1.00 0.00 H new ATOM 0 HG2 ARG B 89 14.628 1.037 8.830 1.00 0.00 H new ATOM 0 HG3 ARG B 89 14.915 -0.097 7.525 1.00 0.00 H new ATOM 0 HD2 ARG B 89 17.255 -0.381 8.227 1.00 0.00 H new ATOM 0 HD3 ARG B 89 17.065 0.847 9.464 1.00 0.00 H new ATOM 0 HE ARG B 89 15.287 -1.542 9.584 1.00 0.00 H new ATOM 0 HH11 ARG B 89 18.045 0.267 10.923 1.00 0.00 H new ATOM 0 HH12 ARG B 89 18.050 -0.658 12.428 1.00 0.00 H new ATOM 0 HH21 ARG B 89 15.328 -2.700 11.521 1.00 0.00 H new ATOM 0 HH22 ARG B 89 16.527 -2.320 12.762 1.00 0.00 H new ATOM 1470 N ARG B 90 18.261 3.633 8.452 1.00 0.00 N ATOM 1471 CA ARG B 90 19.434 3.813 9.325 1.00 0.00 C ATOM 1472 C ARG B 90 19.310 5.114 10.141 1.00 0.00 C ATOM 1473 O ARG B 90 19.634 5.141 11.332 1.00 0.00 O ATOM 1474 CB ARG B 90 20.723 3.820 8.493 1.00 0.00 C ATOM 1475 CG ARG B 90 21.937 3.267 9.230 1.00 0.00 C ATOM 1476 CD ARG B 90 23.132 3.121 8.303 1.00 0.00 C ATOM 1477 NE ARG B 90 24.308 2.589 9.001 1.00 0.00 N ATOM 1478 CZ ARG B 90 24.862 1.391 8.764 1.00 0.00 C ATOM 1479 NH1 ARG B 90 24.361 0.567 7.845 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 25.928 1.016 9.457 1.00 0.00 N ATOM 0 H ARG B 90 18.458 3.751 7.458 1.00 0.00 H new ATOM 0 HA ARG B 90 19.476 2.976 10.022 1.00 0.00 H new ATOM 0 HB2 ARG B 90 20.562 3.235 7.587 1.00 0.00 H new ATOM 0 HB3 ARG B 90 20.935 4.842 8.179 1.00 0.00 H new ATOM 0 HG2 ARG B 90 22.195 3.929 10.056 1.00 0.00 H new ATOM 0 HG3 ARG B 90 21.691 2.298 9.663 1.00 0.00 H new ATOM 0 HD2 ARG B 90 22.871 2.460 7.477 1.00 0.00 H new ATOM 0 HD3 ARG B 90 23.376 4.091 7.870 1.00 0.00 H new ATOM 0 HE ARG B 90 24.736 3.173 9.719 1.00 0.00 H new ATOM 0 HH11 ARG B 90 23.540 0.843 7.306 1.00 0.00 H new ATOM 0 HH12 ARG B 90 24.798 -0.340 7.681 1.00 0.00 H new ATOM 0 HH21 ARG B 90 26.321 1.637 10.164 1.00 0.00 H new ATOM 0 HH22 ARG B 90 26.355 0.106 9.283 1.00 0.00 H new ATOM 1494 N GLN B 91 18.840 6.177 9.475 1.00 0.00 N ATOM 1495 CA GLN B 91 18.642 7.486 10.105 1.00 0.00 C ATOM 1496 C GLN B 91 17.165 7.664 10.509 1.00 0.00 C ATOM 1497 O GLN B 91 16.422 6.680 10.578 1.00 0.00 O ATOM 1498 CB GLN B 91 19.092 8.602 9.143 1.00 0.00 C ATOM 1499 CG GLN B 91 20.606 8.717 8.995 1.00 0.00 C ATOM 1500 CD GLN B 91 21.037 9.825 8.044 1.00 0.00 C ATOM 1501 OE1 GLN B 91 20.360 10.129 7.059 1.00 0.00 O ATOM 1502 NE2 GLN B 91 22.178 10.439 8.339 1.00 0.00 N ATOM 0 H GLN B 91 18.587 6.153 8.487 1.00 0.00 H new ATOM 0 HA GLN B 91 19.248 7.546 11.009 1.00 0.00 H new ATOM 0 HB2 GLN B 91 18.654 8.421 8.162 1.00 0.00 H new ATOM 0 HB3 GLN B 91 18.698 9.555 9.497 1.00 0.00 H new ATOM 0 HG2 GLN B 91 21.047 8.898 9.975 1.00 0.00 H new ATOM 0 HG3 GLN B 91 21.002 7.767 8.637 1.00 0.00 H new ATOM 0 HE21 GLN B 91 22.710 10.159 9.163 1.00 0.00 H new ATOM 0 HE22 GLN B 91 22.522 11.191 7.741 1.00 0.00 H new ATOM 1511 N LEU B 92 16.749 8.911 10.789 1.00 0.00 N ATOM 1512 CA LEU B 92 15.366 9.201 11.182 1.00 0.00 C ATOM 1513 C LEU B 92 14.525 9.650 9.972 1.00 0.00 C ATOM 1514 O LEU B 92 14.045 10.790 9.908 1.00 0.00 O ATOM 1515 CB LEU B 92 15.329 10.247 12.323 1.00 0.00 C ATOM 1516 CG LEU B 92 16.082 11.567 12.070 1.00 0.00 C ATOM 1517 CD1 LEU B 92 15.374 12.723 12.759 1.00 0.00 C ATOM 1518 CD2 LEU B 92 17.522 11.465 12.557 1.00 0.00 C ATOM 0 H LEU B 92 17.353 9.732 10.749 1.00 0.00 H new ATOM 0 HA LEU B 92 14.920 8.281 11.560 1.00 0.00 H new ATOM 0 HB2 LEU B 92 14.286 10.484 12.535 1.00 0.00 H new ATOM 0 HB3 LEU B 92 15.740 9.787 13.221 1.00 0.00 H new ATOM 0 HG LEU B 92 16.093 11.754 10.996 1.00 0.00 H new ATOM 0 HD11 LEU B 92 15.919 13.648 12.570 1.00 0.00 H new ATOM 0 HD12 LEU B 92 14.360 12.813 12.369 1.00 0.00 H new ATOM 0 HD13 LEU B 92 15.335 12.538 13.832 1.00 0.00 H new ATOM 0 HD21 LEU B 92 18.037 12.407 12.369 1.00 0.00 H new ATOM 0 HD22 LEU B 92 17.530 11.253 13.626 1.00 0.00 H new ATOM 0 HD23 LEU B 92 18.030 10.661 12.024 1.00 0.00 H new ATOM 1530 N LEU B 93 14.366 8.732 9.005 1.00 0.00 N ATOM 1531 CA LEU B 93 13.590 8.988 7.780 1.00 0.00 C ATOM 1532 C LEU B 93 12.904 7.703 7.287 1.00 0.00 C ATOM 1533 O LEU B 93 13.127 6.626 7.844 1.00 0.00 O ATOM 1534 CB LEU B 93 14.502 9.572 6.681 1.00 0.00 C ATOM 1535 CG LEU B 93 14.451 11.097 6.525 1.00 0.00 C ATOM 1536 CD1 LEU B 93 15.782 11.621 6.008 1.00 0.00 C ATOM 1537 CD2 LEU B 93 13.322 11.510 5.589 1.00 0.00 C ATOM 0 H LEU B 93 14.769 7.796 9.049 1.00 0.00 H new ATOM 0 HA LEU B 93 12.814 9.717 8.012 1.00 0.00 H new ATOM 0 HB2 LEU B 93 15.530 9.280 6.893 1.00 0.00 H new ATOM 0 HB3 LEU B 93 14.231 9.117 5.728 1.00 0.00 H new ATOM 0 HG LEU B 93 14.259 11.533 7.506 1.00 0.00 H new ATOM 0 HD11 LEU B 93 15.730 12.705 5.902 1.00 0.00 H new ATOM 0 HD12 LEU B 93 16.573 11.362 6.712 1.00 0.00 H new ATOM 0 HD13 LEU B 93 15.998 11.172 5.039 1.00 0.00 H new ATOM 0 HD21 LEU B 93 13.306 12.596 5.495 1.00 0.00 H new ATOM 0 HD22 LEU B 93 13.481 11.063 4.608 1.00 0.00 H new ATOM 0 HD23 LEU B 93 12.370 11.167 5.994 1.00 0.00 H new ATOM 1549 N GLU B 94 12.046 7.836 6.256 1.00 0.00 N ATOM 1550 CA GLU B 94 11.306 6.700 5.670 1.00 0.00 C ATOM 1551 C GLU B 94 10.995 6.978 4.193 1.00 0.00 C ATOM 1552 O GLU B 94 9.831 7.212 3.838 1.00 0.00 O ATOM 1553 CB GLU B 94 10.008 6.456 6.473 1.00 0.00 C ATOM 1554 CG GLU B 94 10.213 5.635 7.734 1.00 0.00 C ATOM 1555 CD GLU B 94 8.926 5.426 8.509 1.00 0.00 C ATOM 1556 OE1 GLU B 94 8.228 4.426 8.241 1.00 0.00 O ATOM 1557 OE2 GLU B 94 8.616 6.263 9.383 1.00 0.00 O1- ATOM 0 H GLU B 94 11.847 8.730 5.807 1.00 0.00 H new ATOM 0 HA GLU B 94 11.920 5.801 5.722 1.00 0.00 H new ATOM 0 HB2 GLU B 94 9.573 7.418 6.744 1.00 0.00 H new ATOM 0 HB3 GLU B 94 9.286 5.948 5.833 1.00 0.00 H new ATOM 0 HG2 GLU B 94 10.634 4.666 7.468 1.00 0.00 H new ATOM 0 HG3 GLU B 94 10.941 6.134 8.374 1.00 0.00 H new ATOM 1564 N VAL B 95 12.030 6.968 3.312 1.00 0.00 N ATOM 1565 CA VAL B 95 11.762 7.358 1.914 1.00 0.00 C ATOM 1566 C VAL B 95 11.085 6.281 0.984 1.00 0.00 C ATOM 1567 O VAL B 95 9.847 6.262 0.922 1.00 0.00 O ATOM 1568 CB VAL B 95 13.137 7.826 1.317 1.00 0.00 C ATOM 1569 CG1 VAL B 95 13.070 8.093 -0.191 1.00 0.00 C ATOM 1570 CG2 VAL B 95 13.626 9.086 2.026 1.00 0.00 C ATOM 0 H VAL B 95 12.993 6.712 3.528 1.00 0.00 H new ATOM 0 HA VAL B 95 11.005 8.142 1.942 1.00 0.00 H new ATOM 0 HB VAL B 95 13.837 7.006 1.479 1.00 0.00 H new ATOM 0 HG11 VAL B 95 14.049 8.413 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.776 7.180 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL B 95 12.338 8.875 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL B 95 14.580 9.396 1.600 1.00 0.00 H new ATOM 0 HG22 VAL B 95 12.894 9.883 1.897 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.754 8.879 3.089 1.00 0.00 H new ATOM 1580 N PHE B 96 11.860 5.317 0.379 1.00 0.00 N ATOM 1581 CA PHE B 96 11.280 4.261 -0.479 1.00 0.00 C ATOM 1582 C PHE B 96 10.859 3.100 0.359 1.00 0.00 C ATOM 1583 O PHE B 96 9.693 2.718 0.438 1.00 0.00 O ATOM 1584 CB PHE B 96 12.190 3.819 -1.627 1.00 0.00 C ATOM 1585 CG PHE B 96 11.574 4.051 -2.981 1.00 0.00 C ATOM 1586 CD1 PHE B 96 11.738 5.258 -3.644 1.00 0.00 C ATOM 1587 CD2 PHE B 96 10.817 3.059 -3.584 1.00 0.00 C ATOM 1588 CE1 PHE B 96 11.157 5.466 -4.884 1.00 0.00 C ATOM 1589 CE2 PHE B 96 10.234 3.264 -4.818 1.00 0.00 C ATOM 1590 CZ PHE B 96 10.405 4.468 -5.469 1.00 0.00 C ATOM 0 H PHE B 96 12.874 5.263 0.478 1.00 0.00 H new ATOM 0 HA PHE B 96 10.407 4.698 -0.964 1.00 0.00 H new ATOM 0 HB2 PHE B 96 13.134 4.360 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE B 96 12.421 2.760 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE B 96 12.324 6.043 -3.189 1.00 0.00 H new ATOM 0 HD2 PHE B 96 10.681 2.113 -3.081 1.00 0.00 H new ATOM 0 HE1 PHE B 96 11.293 6.409 -5.393 1.00 0.00 H new ATOM 0 HE2 PHE B 96 9.644 2.482 -5.274 1.00 0.00 H new ATOM 0 HZ PHE B 96 9.951 4.629 -6.435 1.00 0.00 H new ATOM 1600 N TRP B 97 11.912 2.546 0.982 1.00 0.00 N ATOM 1601 CA TRP B 97 11.849 1.448 1.887 1.00 0.00 C ATOM 1602 C TRP B 97 10.939 1.881 3.040 1.00 0.00 C ATOM 1603 O TRP B 97 10.246 1.085 3.612 1.00 0.00 O ATOM 1604 CB TRP B 97 13.304 1.054 2.281 1.00 0.00 C ATOM 1605 CG TRP B 97 13.438 -0.125 3.214 1.00 0.00 C ATOM 1606 CD1 TRP B 97 13.939 -1.338 2.875 1.00 0.00 C ATOM 1607 CD2 TRP B 97 13.100 -0.214 4.618 1.00 0.00 C ATOM 1608 NE1 TRP B 97 13.907 -2.193 3.948 1.00 0.00 N ATOM 1609 CE2 TRP B 97 13.408 -1.527 5.032 1.00 0.00 C ATOM 1610 CE3 TRP B 97 12.563 0.669 5.563 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 13.201 -1.972 6.334 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 12.362 0.223 6.857 1.00 0.00 C ATOM 1613 CH2 TRP B 97 12.680 -1.086 7.231 1.00 0.00 C ATOM 0 H TRP B 97 12.863 2.887 0.844 1.00 0.00 H new ATOM 0 HA TRP B 97 11.414 0.541 1.467 1.00 0.00 H new ATOM 0 HB2 TRP B 97 13.860 0.836 1.369 1.00 0.00 H new ATOM 0 HB3 TRP B 97 13.780 1.917 2.746 1.00 0.00 H new ATOM 0 HD1 TRP B 97 14.312 -1.596 1.895 1.00 0.00 H new ATOM 0 HE1 TRP B 97 14.207 -3.168 3.938 1.00 0.00 H new ATOM 0 HE3 TRP B 97 12.310 1.682 5.286 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 13.444 -2.983 6.624 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 11.952 0.899 7.592 1.00 0.00 H new ATOM 0 HH2 TRP B 97 12.510 -1.402 8.250 1.00 0.00 H new ATOM 1624 N GLY B 98 11.006 3.168 3.390 1.00 0.00 N ATOM 1625 CA GLY B 98 10.206 3.736 4.465 1.00 0.00 C ATOM 1626 C GLY B 98 8.696 3.746 4.240 1.00 0.00 C ATOM 1627 O GLY B 98 8.035 2.749 4.526 1.00 0.00 O ATOM 0 H GLY B 98 11.619 3.842 2.932 1.00 0.00 H new ATOM 0 HA2 GLY B 98 10.414 3.180 5.379 1.00 0.00 H new ATOM 0 HA3 GLY B 98 10.535 4.761 4.634 1.00 0.00 H new ATOM 1631 N GLN B 99 8.170 4.870 3.690 1.00 0.00 N ATOM 1632 CA GLN B 99 6.706 5.099 3.478 1.00 0.00 C ATOM 1633 C GLN B 99 5.788 3.961 4.017 1.00 0.00 C ATOM 1634 O GLN B 99 5.168 3.211 3.254 1.00 0.00 O ATOM 1635 CB GLN B 99 6.429 5.385 1.997 1.00 0.00 C ATOM 1636 CG GLN B 99 6.819 6.790 1.563 1.00 0.00 C ATOM 1637 CD GLN B 99 6.535 7.046 0.096 1.00 0.00 C ATOM 1638 OE1 GLN B 99 5.450 7.498 -0.268 1.00 0.00 O ATOM 1639 NE2 GLN B 99 7.513 6.757 -0.756 1.00 0.00 N ATOM 0 H GLN B 99 8.747 5.651 3.377 1.00 0.00 H new ATOM 0 HA GLN B 99 6.445 5.972 4.077 1.00 0.00 H new ATOM 0 HB2 GLN B 99 6.972 4.662 1.389 1.00 0.00 H new ATOM 0 HB3 GLN B 99 5.368 5.234 1.799 1.00 0.00 H new ATOM 0 HG2 GLN B 99 6.276 7.517 2.167 1.00 0.00 H new ATOM 0 HG3 GLN B 99 7.881 6.945 1.756 1.00 0.00 H new ATOM 0 HE21 GLN B 99 8.397 6.384 -0.410 1.00 0.00 H new ATOM 0 HE22 GLN B 99 7.380 6.908 -1.756 1.00 0.00 H new ATOM 1648 N ASP B 100 5.713 3.876 5.367 1.00 0.00 N ATOM 1649 CA ASP B 100 4.923 2.864 6.124 1.00 0.00 C ATOM 1650 C ASP B 100 5.046 1.425 5.559 1.00 0.00 C ATOM 1651 O ASP B 100 6.066 0.769 5.773 1.00 0.00 O ATOM 1652 CB ASP B 100 3.457 3.311 6.256 1.00 0.00 C ATOM 1653 CG ASP B 100 3.304 4.467 7.227 1.00 0.00 C ATOM 1654 OD1 ASP B 100 3.467 5.630 6.798 1.00 0.00 O ATOM 1655 OD2 ASP B 100 3.034 4.209 8.420 1.00 0.00 O1- ATOM 0 H ASP B 100 6.211 4.523 5.978 1.00 0.00 H new ATOM 0 HA ASP B 100 5.359 2.811 7.122 1.00 0.00 H new ATOM 0 HB2 ASP B 100 3.078 3.606 5.278 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.850 2.471 6.593 1.00 0.00 H new ATOM 1660 N HIS B 101 4.003 0.949 4.846 1.00 0.00 N ATOM 1661 CA HIS B 101 3.967 -0.399 4.225 1.00 0.00 C ATOM 1662 C HIS B 101 5.177 -0.652 3.325 1.00 0.00 C ATOM 1663 O HIS B 101 5.703 -1.765 3.247 1.00 0.00 O ATOM 1664 CB HIS B 101 2.667 -0.610 3.456 1.00 0.00 C ATOM 1665 CG HIS B 101 1.819 -1.674 4.072 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.649 -2.920 3.508 1.00 0.00 N ATOM 1667 CD2 HIS B 101 1.132 -1.693 5.239 1.00 0.00 C ATOM 1668 CE1 HIS B 101 0.896 -3.658 4.302 1.00 0.00 C ATOM 1669 NE2 HIS B 101 0.573 -2.935 5.359 1.00 0.00 N ATOM 0 H HIS B 101 3.154 1.491 4.682 1.00 0.00 H new ATOM 0 HA HIS B 101 4.011 -1.126 5.036 1.00 0.00 H new ATOM 0 HB2 HIS B 101 2.109 0.326 3.424 1.00 0.00 H new ATOM 0 HB3 HIS B 101 2.895 -0.880 2.425 1.00 0.00 H new ATOM 0 HD2 HIS B 101 1.042 -0.879 5.943 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.595 -4.679 4.119 1.00 0.00 H new ATOM 0 HE2 HIS B 101 -0.001 -3.252 6.140 1.00 0.00 H new ATOM 1678 N LYS B 102 5.581 0.420 2.655 1.00 0.00 N ATOM 1679 CA LYS B 102 6.710 0.473 1.722 1.00 0.00 C ATOM 1680 C LYS B 102 8.007 -0.182 2.258 1.00 0.00 C ATOM 1681 O LYS B 102 8.805 -0.695 1.478 1.00 0.00 O ATOM 1682 CB LYS B 102 6.979 1.914 1.292 1.00 0.00 C ATOM 1683 CG LYS B 102 5.953 2.451 0.293 1.00 0.00 C ATOM 1684 CD LYS B 102 6.624 3.084 -0.918 1.00 0.00 C ATOM 1685 CE LYS B 102 5.608 3.576 -1.938 1.00 0.00 C ATOM 1686 NZ LYS B 102 4.872 4.785 -1.468 1.00 0.00 N1+ ATOM 0 H LYS B 102 5.111 1.321 2.749 1.00 0.00 H new ATOM 0 HA LYS B 102 6.411 -0.123 0.859 1.00 0.00 H new ATOM 0 HB2 LYS B 102 6.985 2.554 2.175 1.00 0.00 H new ATOM 0 HB3 LYS B 102 7.973 1.974 0.848 1.00 0.00 H new ATOM 0 HG2 LYS B 102 5.304 1.639 -0.034 1.00 0.00 H new ATOM 0 HG3 LYS B 102 5.318 3.188 0.784 1.00 0.00 H new ATOM 0 HD2 LYS B 102 7.246 3.918 -0.594 1.00 0.00 H new ATOM 0 HD3 LYS B 102 7.286 2.357 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS B 102 6.118 3.805 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS B 102 4.895 2.779 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 3.852 4.651 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 5.056 4.932 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 5.194 5.617 -2.002 1.00 0.00 H new ATOM 1700 N VAL B 103 8.194 -0.141 3.591 1.00 0.00 N ATOM 1701 CA VAL B 103 9.428 -0.600 4.304 1.00 0.00 C ATOM 1702 C VAL B 103 9.937 -1.944 3.797 1.00 0.00 C ATOM 1703 O VAL B 103 11.076 -2.034 3.360 1.00 0.00 O ATOM 1704 CB VAL B 103 9.223 -0.653 5.863 1.00 0.00 C ATOM 1705 CG1 VAL B 103 9.107 0.748 6.442 1.00 0.00 C ATOM 1706 CG2 VAL B 103 8.001 -1.481 6.283 1.00 0.00 C ATOM 0 H VAL B 103 7.482 0.218 4.227 1.00 0.00 H new ATOM 0 HA VAL B 103 10.189 0.147 4.081 1.00 0.00 H new ATOM 0 HB VAL B 103 10.107 -1.148 6.264 1.00 0.00 H new ATOM 0 HG11 VAL B 103 8.966 0.685 7.521 1.00 0.00 H new ATOM 0 HG12 VAL B 103 10.018 1.307 6.227 1.00 0.00 H new ATOM 0 HG13 VAL B 103 8.254 1.258 5.994 1.00 0.00 H new ATOM 0 HG21 VAL B 103 7.915 -1.478 7.370 1.00 0.00 H new ATOM 0 HG22 VAL B 103 7.101 -1.048 5.847 1.00 0.00 H new ATOM 0 HG23 VAL B 103 8.118 -2.506 5.931 1.00 0.00 H new ATOM 1716 N ASP B 104 9.155 -2.976 3.950 1.00 0.00 N ATOM 1717 CA ASP B 104 9.440 -4.287 3.391 1.00 0.00 C ATOM 1718 C ASP B 104 9.105 -4.343 1.883 1.00 0.00 C ATOM 1719 O ASP B 104 9.714 -5.094 1.122 1.00 0.00 O ATOM 1720 CB ASP B 104 8.846 -5.433 4.199 1.00 0.00 C ATOM 1721 CG ASP B 104 7.328 -5.374 4.365 1.00 0.00 C ATOM 1722 OD1 ASP B 104 6.853 -4.580 5.204 1.00 0.00 O ATOM 1723 OD2 ASP B 104 6.619 -6.126 3.658 1.00 0.00 O1- ATOM 0 H ASP B 104 8.282 -2.938 4.476 1.00 0.00 H new ATOM 0 HA ASP B 104 10.516 -4.439 3.472 1.00 0.00 H new ATOM 0 HB2 ASP B 104 9.109 -6.375 3.717 1.00 0.00 H new ATOM 0 HB3 ASP B 104 9.306 -5.441 5.187 1.00 0.00 H new ATOM 1728 N PHE B 105 8.105 -3.512 1.492 1.00 0.00 N ATOM 1729 CA PHE B 105 7.479 -3.529 0.153 1.00 0.00 C ATOM 1730 C PHE B 105 8.485 -3.474 -0.956 1.00 0.00 C ATOM 1731 O PHE B 105 8.297 -4.138 -1.981 1.00 0.00 O ATOM 1732 CB PHE B 105 6.463 -2.356 -0.052 1.00 0.00 C ATOM 1733 CG PHE B 105 6.790 -1.501 -1.300 1.00 0.00 C ATOM 1734 CD1 PHE B 105 7.681 -0.420 -1.237 1.00 0.00 C ATOM 1735 CD2 PHE B 105 6.260 -1.828 -2.549 1.00 0.00 C ATOM 1736 CE1 PHE B 105 8.018 0.297 -2.373 1.00 0.00 C ATOM 1737 CE2 PHE B 105 6.594 -1.100 -3.682 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.473 -0.041 -3.591 1.00 0.00 C ATOM 0 H PHE B 105 7.709 -2.803 2.109 1.00 0.00 H new ATOM 0 HA PHE B 105 6.948 -4.480 0.112 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.457 -2.764 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.465 -1.719 0.832 1.00 0.00 H new ATOM 0 HD1 PHE B 105 8.112 -0.142 -0.286 1.00 0.00 H new ATOM 0 HD2 PHE B 105 5.579 -2.661 -2.635 1.00 0.00 H new ATOM 0 HE1 PHE B 105 8.710 1.123 -2.303 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.165 -1.363 -4.637 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.733 0.523 -4.475 1.00 0.00 H new ATOM 1748 N ILE B 106 9.539 -2.669 -0.768 1.00 0.00 N ATOM 1749 CA ILE B 106 10.501 -2.495 -1.852 1.00 0.00 C ATOM 1750 C ILE B 106 10.889 -3.838 -2.499 1.00 0.00 C ATOM 1751 O ILE B 106 10.551 -4.056 -3.663 1.00 0.00 O ATOM 1752 CB ILE B 106 11.812 -1.679 -1.494 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.299 -1.725 -0.035 1.00 0.00 C ATOM 1754 CG2 ILE B 106 11.631 -0.208 -1.839 1.00 0.00 C ATOM 1755 CD1 ILE B 106 11.303 -2.157 0.987 1.00 0.00 C ATOM 0 H ILE B 106 9.739 -2.150 0.087 1.00 0.00 H new ATOM 0 HA ILE B 106 9.955 -1.876 -2.564 1.00 0.00 H new ATOM 0 HB ILE B 106 12.570 -2.187 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE B 106 13.155 -2.398 0.018 1.00 0.00 H new ATOM 0 HG13 ILE B 106 12.657 -0.732 0.236 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.540 0.339 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.430 -0.106 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE B 106 10.794 0.198 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE B 106 11.767 -2.148 1.973 1.00 0.00 H new ATOM 0 HD12 ILE B 106 10.454 -1.474 0.979 1.00 0.00 H new ATOM 0 HD13 ILE B 106 10.960 -3.166 0.757 1.00 0.00 H new ATOM 1767 N LEU B 107 11.509 -4.759 -1.785 1.00 0.00 N ATOM 1768 CA LEU B 107 11.878 -6.037 -2.416 1.00 0.00 C ATOM 1769 C LEU B 107 10.693 -6.986 -2.635 1.00 0.00 C ATOM 1770 O LEU B 107 10.629 -7.638 -3.678 1.00 0.00 O ATOM 1771 CB LEU B 107 13.047 -6.705 -1.684 1.00 0.00 C ATOM 1772 CG LEU B 107 13.260 -8.215 -1.945 1.00 0.00 C ATOM 1773 CD1 LEU B 107 14.735 -8.554 -2.011 1.00 0.00 C ATOM 1774 CD2 LEU B 107 12.586 -9.047 -0.862 1.00 0.00 C ATOM 0 H LEU B 107 11.765 -4.665 -0.802 1.00 0.00 H new ATOM 0 HA LEU B 107 12.221 -5.791 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU B 107 13.963 -6.180 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU B 107 12.904 -6.562 -0.613 1.00 0.00 H new ATOM 0 HG LEU B 107 12.807 -8.452 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU B 107 14.855 -9.622 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU B 107 15.202 -7.991 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU B 107 15.211 -8.293 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU B 107 12.747 -10.106 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU B 107 13.011 -8.794 0.109 1.00 0.00 H new ATOM 0 HD23 LEU B 107 11.516 -8.838 -0.855 1.00 0.00 H new ATOM 1786 N GLN B 108 9.788 -7.061 -1.645 1.00 0.00 N ATOM 1787 CA GLN B 108 8.607 -7.958 -1.664 1.00 0.00 C ATOM 1788 C GLN B 108 7.940 -8.121 -3.056 1.00 0.00 C ATOM 1789 O GLN B 108 6.928 -7.484 -3.369 1.00 0.00 O ATOM 1790 CB GLN B 108 7.584 -7.476 -0.622 1.00 0.00 C ATOM 1791 CG GLN B 108 6.783 -8.595 0.047 1.00 0.00 C ATOM 1792 CD GLN B 108 5.646 -9.111 -0.820 1.00 0.00 C ATOM 1793 OE1 GLN B 108 4.525 -8.607 -0.760 1.00 0.00 O ATOM 1794 NE2 GLN B 108 5.933 -10.124 -1.630 1.00 0.00 N ATOM 0 H GLN B 108 9.851 -6.497 -0.797 1.00 0.00 H new ATOM 0 HA GLN B 108 8.973 -8.953 -1.411 1.00 0.00 H new ATOM 0 HB2 GLN B 108 8.108 -6.911 0.149 1.00 0.00 H new ATOM 0 HB3 GLN B 108 6.890 -6.788 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN B 108 7.453 -9.421 0.287 1.00 0.00 H new ATOM 0 HG3 GLN B 108 6.377 -8.230 0.990 1.00 0.00 H new ATOM 0 HE21 GLN B 108 6.876 -10.511 -1.648 1.00 0.00 H new ATOM 0 HE22 GLN B 108 5.210 -10.514 -2.234 1.00 0.00 H new ATOM 1803 N ARG B 109 8.559 -9.005 -3.873 1.00 0.00 N ATOM 1804 CA ARG B 109 8.109 -9.384 -5.242 1.00 0.00 C ATOM 1805 C ARG B 109 7.846 -8.214 -6.211 1.00 0.00 C ATOM 1806 O ARG B 109 7.421 -7.133 -5.807 1.00 0.00 O ATOM 1807 CB ARG B 109 6.844 -10.259 -5.172 1.00 0.00 C ATOM 1808 CG ARG B 109 7.082 -11.650 -4.602 1.00 0.00 C ATOM 1809 CD ARG B 109 5.804 -12.473 -4.590 1.00 0.00 C ATOM 1810 NE ARG B 109 6.024 -13.822 -4.055 1.00 0.00 N ATOM 1811 CZ ARG B 109 5.095 -14.789 -4.018 1.00 0.00 C ATOM 1812 NH1 ARG B 109 3.863 -14.581 -4.481 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 5.407 -15.974 -3.511 1.00 0.00 N ATOM 0 H ARG B 109 9.411 -9.491 -3.594 1.00 0.00 H new ATOM 0 HA ARG B 109 8.957 -9.931 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG B 109 6.097 -9.751 -4.562 1.00 0.00 H new ATOM 0 HB3 ARG B 109 6.426 -10.355 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG B 109 7.840 -12.162 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG B 109 7.472 -11.567 -3.588 1.00 0.00 H new ATOM 0 HD2 ARG B 109 5.050 -11.963 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG B 109 5.409 -12.545 -5.604 1.00 0.00 H new ATOM 0 HE ARG B 109 6.949 -14.040 -3.685 1.00 0.00 H new ATOM 0 HH11 ARG B 109 3.612 -13.673 -4.873 1.00 0.00 H new ATOM 0 HH12 ARG B 109 3.171 -15.329 -4.444 1.00 0.00 H new ATOM 0 HH21 ARG B 109 6.347 -16.144 -3.153 1.00 0.00 H new ATOM 0 HH22 ARG B 109 4.707 -16.715 -3.479 1.00 0.00 H new ATOM 1827 N GLU B 110 8.109 -8.503 -7.512 1.00 0.00 N ATOM 1828 CA GLU B 110 7.880 -7.603 -8.678 1.00 0.00 C ATOM 1829 C GLU B 110 9.083 -6.712 -9.120 1.00 0.00 C ATOM 1830 O GLU B 110 9.692 -7.042 -10.143 1.00 0.00 O ATOM 1831 CB GLU B 110 6.576 -6.778 -8.558 1.00 0.00 C ATOM 1832 CG GLU B 110 5.407 -7.380 -9.320 1.00 0.00 C ATOM 1833 CD GLU B 110 4.140 -6.556 -9.189 1.00 0.00 C ATOM 1834 OE1 GLU B 110 3.931 -5.652 -10.024 1.00 0.00 O ATOM 1835 OE2 GLU B 110 3.358 -6.816 -8.251 1.00 0.00 O1- ATOM 0 H GLU B 110 8.501 -9.403 -7.790 1.00 0.00 H new ATOM 0 HA GLU B 110 7.764 -8.313 -9.497 1.00 0.00 H new ATOM 0 HB2 GLU B 110 6.307 -6.689 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU B 110 6.759 -5.768 -8.926 1.00 0.00 H new ATOM 0 HG2 GLU B 110 5.672 -7.468 -10.374 1.00 0.00 H new ATOM 0 HG3 GLU B 110 5.220 -8.389 -8.953 1.00 0.00 H new ATOM 1842 N PRO B 111 9.476 -5.592 -8.416 1.00 0.00 N ATOM 1843 CA PRO B 111 10.555 -4.700 -8.893 1.00 0.00 C ATOM 1844 C PRO B 111 11.980 -5.032 -8.427 1.00 0.00 C ATOM 1845 O PRO B 111 12.195 -5.466 -7.294 1.00 0.00 O ATOM 1846 CB PRO B 111 10.141 -3.336 -8.322 1.00 0.00 C ATOM 1847 CG PRO B 111 8.979 -3.590 -7.399 1.00 0.00 C ATOM 1848 CD PRO B 111 8.943 -5.069 -7.151 1.00 0.00 C ATOM 0 HA PRO B 111 10.632 -4.775 -9.978 1.00 0.00 H new ATOM 0 HB2 PRO B 111 10.969 -2.874 -7.784 1.00 0.00 H new ATOM 0 HB3 PRO B 111 9.858 -2.651 -9.121 1.00 0.00 H new ATOM 0 HG2 PRO B 111 9.101 -3.043 -6.464 1.00 0.00 H new ATOM 0 HG3 PRO B 111 8.046 -3.250 -7.848 1.00 0.00 H new ATOM 0 HD2 PRO B 111 9.557 -5.357 -6.297 1.00 0.00 H new ATOM 0 HD3 PRO B 111 7.933 -5.427 -6.952 1.00 0.00 H new ATOM 1856 N TYR B 112 12.937 -4.812 -9.350 1.00 0.00 N ATOM 1857 CA TYR B 112 14.379 -5.021 -9.125 1.00 0.00 C ATOM 1858 C TYR B 112 14.998 -3.912 -8.236 1.00 0.00 C ATOM 1859 O TYR B 112 15.730 -4.200 -7.283 1.00 0.00 O ATOM 1860 CB TYR B 112 15.089 -5.095 -10.494 1.00 0.00 C ATOM 1861 CG TYR B 112 16.575 -5.425 -10.451 1.00 0.00 C ATOM 1862 CD1 TYR B 112 17.023 -6.713 -10.176 1.00 0.00 C ATOM 1863 CD2 TYR B 112 17.526 -4.442 -10.702 1.00 0.00 C ATOM 1864 CE1 TYR B 112 18.372 -7.009 -10.150 1.00 0.00 C ATOM 1865 CE2 TYR B 112 18.876 -4.731 -10.678 1.00 0.00 C ATOM 1866 CZ TYR B 112 19.294 -6.016 -10.401 1.00 0.00 C ATOM 1867 OH TYR B 112 20.638 -6.310 -10.375 1.00 0.00 O ATOM 0 H TYR B 112 12.724 -4.478 -10.290 1.00 0.00 H new ATOM 0 HA TYR B 112 14.517 -5.958 -8.586 1.00 0.00 H new ATOM 0 HB2 TYR B 112 14.586 -5.846 -11.103 1.00 0.00 H new ATOM 0 HB3 TYR B 112 14.963 -4.138 -11.000 1.00 0.00 H new ATOM 0 HD1 TYR B 112 16.304 -7.495 -9.980 1.00 0.00 H new ATOM 0 HD2 TYR B 112 17.203 -3.435 -10.920 1.00 0.00 H new ATOM 0 HE1 TYR B 112 18.703 -8.014 -9.934 1.00 0.00 H new ATOM 0 HE2 TYR B 112 19.601 -3.955 -10.875 1.00 0.00 H new ATOM 0 HH TYR B 112 21.032 -6.117 -11.251 1.00 0.00 H new ATOM 1877 N CYS B 113 14.698 -2.642 -8.574 1.00 0.00 N ATOM 1878 CA CYS B 113 15.217 -1.466 -7.842 1.00 0.00 C ATOM 1879 C CYS B 113 14.792 -1.463 -6.368 1.00 0.00 C ATOM 1880 O CYS B 113 15.583 -1.143 -5.473 1.00 0.00 O ATOM 1881 CB CYS B 113 14.749 -0.176 -8.523 1.00 0.00 C ATOM 1882 SG CYS B 113 12.951 -0.013 -8.642 1.00 0.00 S ATOM 0 H CYS B 113 14.092 -2.402 -9.358 1.00 0.00 H new ATOM 0 HA CYS B 113 16.305 -1.523 -7.867 1.00 0.00 H new ATOM 0 HB2 CYS B 113 15.145 0.677 -7.972 1.00 0.00 H new ATOM 0 HB3 CYS B 113 15.174 -0.133 -9.526 1.00 0.00 H new ATOM 0 HG CYS B 113 12.653 0.818 -9.596 1.00 0.00 H new ATOM 1888 N ARG B 114 13.538 -1.838 -6.124 1.00 0.00 N ATOM 1889 CA ARG B 114 12.985 -1.893 -4.797 1.00 0.00 C ATOM 1890 C ARG B 114 13.582 -3.120 -4.103 1.00 0.00 C ATOM 1891 O ARG B 114 13.876 -3.103 -2.907 1.00 0.00 O ATOM 1892 CB ARG B 114 11.443 -1.865 -4.838 1.00 0.00 C ATOM 1893 CG ARG B 114 10.852 -0.478 -5.141 1.00 0.00 C ATOM 1894 CD ARG B 114 10.175 -0.391 -6.500 1.00 0.00 C ATOM 1895 NE ARG B 114 10.115 0.995 -6.979 1.00 0.00 N ATOM 1896 CZ ARG B 114 9.014 1.603 -7.443 1.00 0.00 C ATOM 1897 NH1 ARG B 114 7.846 0.966 -7.508 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 9.089 2.868 -7.835 1.00 0.00 N ATOM 0 H ARG B 114 12.882 -2.112 -6.856 1.00 0.00 H new ATOM 0 HA ARG B 114 13.251 -1.013 -4.212 1.00 0.00 H new ATOM 0 HB2 ARG B 114 11.097 -2.570 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG B 114 11.058 -2.212 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG B 114 10.129 -0.223 -4.367 1.00 0.00 H new ATOM 0 HG3 ARG B 114 11.647 0.266 -5.092 1.00 0.00 H new ATOM 0 HD2 ARG B 114 10.719 -1.003 -7.219 1.00 0.00 H new ATOM 0 HD3 ARG B 114 9.166 -0.799 -6.433 1.00 0.00 H new ATOM 0 HE ARG B 114 10.978 1.538 -6.957 1.00 0.00 H new ATOM 0 HH11 ARG B 114 7.776 -0.004 -7.201 1.00 0.00 H new ATOM 0 HH12 ARG B 114 7.021 1.448 -7.865 1.00 0.00 H new ATOM 0 HH21 ARG B 114 9.977 3.367 -7.781 1.00 0.00 H new ATOM 0 HH22 ARG B 114 8.259 3.342 -8.190 1.00 0.00 H new ATOM 1912 N ASP B 115 13.760 -4.183 -4.911 1.00 0.00 N ATOM 1913 CA ASP B 115 14.342 -5.460 -4.478 1.00 0.00 C ATOM 1914 C ASP B 115 15.663 -5.269 -3.718 1.00 0.00 C ATOM 1915 O ASP B 115 15.884 -5.927 -2.717 1.00 0.00 O ATOM 1916 CB ASP B 115 14.568 -6.373 -5.692 1.00 0.00 C ATOM 1917 CG ASP B 115 14.529 -7.850 -5.339 1.00 0.00 C ATOM 1918 OD1 ASP B 115 15.595 -8.408 -5.003 1.00 0.00 O ATOM 1919 OD2 ASP B 115 13.434 -8.447 -5.402 1.00 0.00 O1- ATOM 0 H ASP B 115 13.498 -4.174 -5.897 1.00 0.00 H new ATOM 0 HA ASP B 115 13.633 -5.924 -3.792 1.00 0.00 H new ATOM 0 HB2 ASP B 115 13.806 -6.164 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP B 115 15.533 -6.138 -6.142 1.00 0.00 H new ATOM 1924 N ILE B 116 16.498 -4.330 -4.182 1.00 0.00 N ATOM 1925 CA ILE B 116 17.815 -4.066 -3.592 1.00 0.00 C ATOM 1926 C ILE B 116 17.651 -3.300 -2.298 1.00 0.00 C ATOM 1927 O ILE B 116 18.370 -3.523 -1.333 1.00 0.00 O ATOM 1928 CB ILE B 116 18.817 -3.335 -4.535 1.00 0.00 C ATOM 1929 CG1 ILE B 116 18.129 -2.347 -5.486 1.00 0.00 C ATOM 1930 CG2 ILE B 116 19.614 -4.354 -5.333 1.00 0.00 C ATOM 1931 CD1 ILE B 116 18.594 -0.918 -5.316 1.00 0.00 C ATOM 0 H ILE B 116 16.278 -3.732 -4.978 1.00 0.00 H new ATOM 0 HA ILE B 116 18.261 -5.043 -3.405 1.00 0.00 H new ATOM 0 HB ILE B 116 19.484 -2.752 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE B 116 18.311 -2.659 -6.514 1.00 0.00 H new ATOM 0 HG13 ILE B 116 17.052 -2.391 -5.325 1.00 0.00 H new ATOM 0 HG21 ILE B 116 20.312 -3.836 -5.990 1.00 0.00 H new ATOM 0 HG22 ILE B 116 20.168 -4.998 -4.650 1.00 0.00 H new ATOM 0 HG23 ILE B 116 18.934 -4.960 -5.932 1.00 0.00 H new ATOM 0 HD11 ILE B 116 18.065 -0.277 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE B 116 18.387 -0.587 -4.298 1.00 0.00 H new ATOM 0 HD13 ILE B 116 19.666 -0.859 -5.506 1.00 0.00 H new ATOM 1943 N ASN B 117 16.694 -2.366 -2.326 1.00 0.00 N ATOM 1944 CA ASN B 117 16.365 -1.506 -1.186 1.00 0.00 C ATOM 1945 C ASN B 117 16.138 -2.305 0.121 1.00 0.00 C ATOM 1946 O ASN B 117 16.878 -2.104 1.085 1.00 0.00 O ATOM 1947 CB ASN B 117 15.124 -0.688 -1.539 1.00 0.00 C ATOM 1948 CG ASN B 117 15.234 0.095 -2.851 1.00 0.00 C ATOM 1949 OD1 ASN B 117 14.221 0.449 -3.453 1.00 0.00 O ATOM 1950 ND2 ASN B 117 16.456 0.370 -3.299 1.00 0.00 N ATOM 0 H ASN B 117 16.121 -2.185 -3.150 1.00 0.00 H new ATOM 0 HA ASN B 117 17.214 -0.850 -0.995 1.00 0.00 H new ATOM 0 HB2 ASN B 117 14.267 -1.359 -1.601 1.00 0.00 H new ATOM 0 HB3 ASN B 117 14.922 0.012 -0.728 1.00 0.00 H new ATOM 0 HD21 ASN B 117 16.575 0.890 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN B 117 17.274 0.061 -2.773 1.00 0.00 H new ATOM 1957 N GLN B 118 15.122 -3.200 0.159 1.00 0.00 N ATOM 1958 CA GLN B 118 14.867 -4.044 1.351 1.00 0.00 C ATOM 1959 C GLN B 118 15.932 -5.116 1.458 1.00 0.00 C ATOM 1960 O GLN B 118 16.372 -5.456 2.556 1.00 0.00 O ATOM 1961 CB GLN B 118 13.452 -4.662 1.359 1.00 0.00 C ATOM 1962 CG GLN B 118 13.399 -6.166 1.660 1.00 0.00 C ATOM 1963 CD GLN B 118 12.035 -6.625 2.120 1.00 0.00 C ATOM 1964 OE1 GLN B 118 11.759 -6.433 3.404 1.00 0.00 O flip ATOM 1965 NE2 GLN B 118 11.238 -7.136 1.334 1.00 0.00 N flip ATOM 0 H GLN B 118 14.473 -3.355 -0.612 1.00 0.00 H new ATOM 0 HA GLN B 118 14.917 -3.396 2.226 1.00 0.00 H new ATOM 0 HB2 GLN B 118 12.848 -4.138 2.099 1.00 0.00 H new ATOM 0 HB3 GLN B 118 12.990 -4.485 0.388 1.00 0.00 H new ATOM 0 HG2 GLN B 118 13.681 -6.721 0.765 1.00 0.00 H new ATOM 0 HG3 GLN B 118 14.135 -6.404 2.428 1.00 0.00 H new ATOM 0 HE21 GLN B 118 11.497 -7.263 0.356 1.00 0.00 H new ATOM 0 HE22 GLN B 118 10.319 -7.433 1.661 1.00 0.00 H new ATOM 1974 N LEU B 119 16.306 -5.670 0.301 1.00 0.00 N ATOM 1975 CA LEU B 119 17.342 -6.687 0.225 1.00 0.00 C ATOM 1976 C LEU B 119 18.562 -6.181 0.984 1.00 0.00 C ATOM 1977 O LEU B 119 18.996 -6.797 1.958 1.00 0.00 O ATOM 1978 CB LEU B 119 17.693 -6.929 -1.244 1.00 0.00 C ATOM 1979 CG LEU B 119 18.203 -8.338 -1.605 1.00 0.00 C ATOM 1980 CD1 LEU B 119 18.041 -8.596 -3.095 1.00 0.00 C ATOM 1981 CD2 LEU B 119 19.666 -8.517 -1.207 1.00 0.00 C ATOM 0 H LEU B 119 15.898 -5.423 -0.601 1.00 0.00 H new ATOM 0 HA LEU B 119 17.001 -7.624 0.665 1.00 0.00 H new ATOM 0 HB2 LEU B 119 16.808 -6.722 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU B 119 18.454 -6.205 -1.537 1.00 0.00 H new ATOM 0 HG LEU B 119 17.604 -9.059 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU B 119 18.406 -9.595 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU B 119 16.988 -8.521 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU B 119 18.613 -7.857 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU B 119 19.996 -9.521 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU B 119 20.278 -7.782 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU B 119 19.770 -8.376 -0.131 1.00 0.00 H new ATOM 1993 N SER B 120 19.040 -4.995 0.584 1.00 0.00 N ATOM 1994 CA SER B 120 20.183 -4.370 1.247 1.00 0.00 C ATOM 1995 C SER B 120 19.817 -3.895 2.664 1.00 0.00 C ATOM 1996 O SER B 120 20.449 -4.318 3.634 1.00 0.00 O ATOM 1997 CB SER B 120 20.725 -3.200 0.416 1.00 0.00 C ATOM 1998 OG SER B 120 21.147 -3.636 -0.865 1.00 0.00 O ATOM 0 H SER B 120 18.653 -4.455 -0.190 1.00 0.00 H new ATOM 0 HA SER B 120 20.964 -5.125 1.334 1.00 0.00 H new ATOM 0 HB2 SER B 120 19.953 -2.438 0.308 1.00 0.00 H new ATOM 0 HB3 SER B 120 21.561 -2.735 0.939 1.00 0.00 H new ATOM 0 HG SER B 120 20.366 -3.746 -1.447 1.00 0.00 H new ATOM 2004 N GLU B 121 18.786 -3.029 2.786 1.00 0.00 N ATOM 2005 CA GLU B 121 18.384 -2.494 4.097 1.00 0.00 C ATOM 2006 C GLU B 121 17.624 -3.496 4.998 1.00 0.00 C ATOM 2007 O GLU B 121 18.157 -3.873 6.046 1.00 0.00 O ATOM 2008 CB GLU B 121 17.573 -1.197 3.922 1.00 0.00 C ATOM 2009 CG GLU B 121 17.201 -0.500 5.234 1.00 0.00 C ATOM 2010 CD GLU B 121 18.405 -0.142 6.109 1.00 0.00 C ATOM 2011 OE1 GLU B 121 19.160 -1.060 6.494 1.00 0.00 O ATOM 2012 OE2 GLU B 121 18.579 1.047 6.425 1.00 0.00 O1- ATOM 0 H GLU B 121 18.227 -2.692 2.002 1.00 0.00 H new ATOM 0 HA GLU B 121 19.315 -2.283 4.624 1.00 0.00 H new ATOM 0 HB2 GLU B 121 18.147 -0.504 3.307 1.00 0.00 H new ATOM 0 HB3 GLU B 121 16.659 -1.426 3.375 1.00 0.00 H new ATOM 0 HG2 GLU B 121 16.647 0.410 5.006 1.00 0.00 H new ATOM 0 HG3 GLU B 121 16.532 -1.147 5.801 1.00 0.00 H new ATOM 2019 N ALA B 122 16.389 -3.924 4.617 1.00 0.00 N ATOM 2020 CA ALA B 122 15.631 -4.889 5.448 1.00 0.00 C ATOM 2021 C ALA B 122 16.385 -6.192 5.797 1.00 0.00 C ATOM 2022 O ALA B 122 16.293 -6.648 6.938 1.00 0.00 O ATOM 2023 CB ALA B 122 14.304 -5.232 4.803 1.00 0.00 C ATOM 0 H ALA B 122 15.913 -3.625 3.766 1.00 0.00 H new ATOM 0 HA ALA B 122 15.478 -4.369 6.394 1.00 0.00 H new ATOM 0 HB1 ALA B 122 13.766 -5.942 5.432 1.00 0.00 H new ATOM 0 HB2 ALA B 122 13.710 -4.325 4.689 1.00 0.00 H new ATOM 0 HB3 ALA B 122 14.480 -5.676 3.823 1.00 0.00 H new ATOM 2029 N LEU B 123 17.130 -6.794 4.842 1.00 0.00 N ATOM 2030 CA LEU B 123 17.834 -8.065 5.112 1.00 0.00 C ATOM 2031 C LEU B 123 19.055 -7.903 6.030 1.00 0.00 C ATOM 2032 O LEU B 123 19.270 -8.733 6.917 1.00 0.00 O ATOM 2033 CB LEU B 123 18.250 -8.752 3.807 1.00 0.00 C ATOM 2034 CG LEU B 123 17.667 -10.154 3.574 1.00 0.00 C ATOM 2035 CD1 LEU B 123 17.612 -10.462 2.086 1.00 0.00 C ATOM 2036 CD2 LEU B 123 18.493 -11.213 4.298 1.00 0.00 C ATOM 0 H LEU B 123 17.257 -6.429 3.898 1.00 0.00 H new ATOM 0 HA LEU B 123 17.118 -8.693 5.642 1.00 0.00 H new ATOM 0 HB2 LEU B 123 17.957 -8.114 2.973 1.00 0.00 H new ATOM 0 HB3 LEU B 123 19.337 -8.823 3.787 1.00 0.00 H new ATOM 0 HG LEU B 123 16.655 -10.172 3.977 1.00 0.00 H new ATOM 0 HD11 LEU B 123 17.197 -11.459 1.936 1.00 0.00 H new ATOM 0 HD12 LEU B 123 16.982 -9.727 1.585 1.00 0.00 H new ATOM 0 HD13 LEU B 123 18.618 -10.421 1.669 1.00 0.00 H new ATOM 0 HD21 LEU B 123 18.061 -12.197 4.118 1.00 0.00 H new ATOM 0 HD22 LEU B 123 19.517 -11.193 3.926 1.00 0.00 H new ATOM 0 HD23 LEU B 123 18.492 -11.006 5.368 1.00 0.00 H new ATOM 2048 N LEU B 124 19.848 -6.840 5.817 1.00 0.00 N ATOM 2049 CA LEU B 124 21.059 -6.590 6.622 1.00 0.00 C ATOM 2050 C LEU B 124 20.739 -6.141 8.055 1.00 0.00 C ATOM 2051 O LEU B 124 21.393 -6.583 9.004 1.00 0.00 O ATOM 2052 CB LEU B 124 21.956 -5.550 5.938 1.00 0.00 C ATOM 2053 CG LEU B 124 23.095 -6.114 5.074 1.00 0.00 C ATOM 2054 CD1 LEU B 124 22.597 -6.502 3.687 1.00 0.00 C ATOM 2055 CD2 LEU B 124 24.226 -5.102 4.967 1.00 0.00 C ATOM 0 H LEU B 124 19.674 -6.140 5.096 1.00 0.00 H new ATOM 0 HA LEU B 124 21.587 -7.541 6.691 1.00 0.00 H new ATOM 0 HB2 LEU B 124 21.330 -4.914 5.311 1.00 0.00 H new ATOM 0 HB3 LEU B 124 22.391 -4.911 6.707 1.00 0.00 H new ATOM 0 HG LEU B 124 23.471 -7.015 5.559 1.00 0.00 H new ATOM 0 HD11 LEU B 124 23.426 -6.897 3.100 1.00 0.00 H new ATOM 0 HD12 LEU B 124 21.822 -7.263 3.778 1.00 0.00 H new ATOM 0 HD13 LEU B 124 22.186 -5.624 3.189 1.00 0.00 H new ATOM 0 HD21 LEU B 124 25.026 -5.514 4.352 1.00 0.00 H new ATOM 0 HD22 LEU B 124 23.852 -4.186 4.510 1.00 0.00 H new ATOM 0 HD23 LEU B 124 24.611 -4.880 5.962 1.00 0.00 H new ATOM 2067 N SER B 125 19.735 -5.263 8.202 1.00 0.00 N ATOM 2068 CA SER B 125 19.330 -4.734 9.516 1.00 0.00 C ATOM 2069 C SER B 125 18.610 -5.781 10.381 1.00 0.00 C ATOM 2070 O SER B 125 18.861 -5.866 11.586 1.00 0.00 O ATOM 2071 CB SER B 125 18.435 -3.507 9.334 1.00 0.00 C ATOM 2072 OG SER B 125 19.161 -2.423 8.782 1.00 0.00 O ATOM 0 H SER B 125 19.185 -4.902 7.423 1.00 0.00 H new ATOM 0 HA SER B 125 20.243 -4.455 10.042 1.00 0.00 H new ATOM 0 HB2 SER B 125 17.598 -3.757 8.682 1.00 0.00 H new ATOM 0 HB3 SER B 125 18.014 -3.214 10.296 1.00 0.00 H new ATOM 0 HG SER B 125 18.819 -2.222 7.886 1.00 0.00 H new ATOM 2078 N LEU B 126 17.721 -6.568 9.757 1.00 0.00 N ATOM 2079 CA LEU B 126 16.948 -7.606 10.460 1.00 0.00 C ATOM 2080 C LEU B 126 17.808 -8.815 10.858 1.00 0.00 C ATOM 2081 O LEU B 126 17.662 -9.340 11.966 1.00 0.00 O ATOM 2082 CB LEU B 126 15.765 -8.068 9.596 1.00 0.00 C ATOM 2083 CG LEU B 126 14.422 -7.372 9.875 1.00 0.00 C ATOM 2084 CD1 LEU B 126 14.350 -6.009 9.193 1.00 0.00 C ATOM 2085 CD2 LEU B 126 13.269 -8.253 9.420 1.00 0.00 C ATOM 0 H LEU B 126 17.518 -6.505 8.759 1.00 0.00 H new ATOM 0 HA LEU B 126 16.577 -7.155 11.380 1.00 0.00 H new ATOM 0 HB2 LEU B 126 16.022 -7.913 8.548 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.633 -9.141 9.737 1.00 0.00 H new ATOM 0 HG LEU B 126 14.343 -7.211 10.950 1.00 0.00 H new ATOM 0 HD11 LEU B 126 13.388 -5.544 9.410 1.00 0.00 H new ATOM 0 HD12 LEU B 126 15.153 -5.373 9.565 1.00 0.00 H new ATOM 0 HD13 LEU B 126 14.457 -6.135 8.116 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.324 -7.749 9.623 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.356 -8.443 8.350 1.00 0.00 H new ATOM 0 HD23 LEU B 126 13.299 -9.199 9.960 1.00 0.00 H new ATOM 2097 N ASN B 127 18.700 -9.248 9.952 1.00 0.00 N ATOM 2098 CA ASN B 127 19.580 -10.402 10.199 1.00 0.00 C ATOM 2099 C ASN B 127 20.680 -10.068 11.221 1.00 0.00 C ATOM 2100 O ASN B 127 20.859 -10.797 12.202 1.00 0.00 O ATOM 2101 CB ASN B 127 20.199 -10.889 8.880 1.00 0.00 C ATOM 2102 CG ASN B 127 20.564 -12.363 8.910 1.00 0.00 C ATOM 2103 OD1 ASN B 127 21.678 -12.731 9.287 1.00 0.00 O ATOM 2104 ND2 ASN B 127 19.626 -13.214 8.510 1.00 0.00 N ATOM 0 H ASN B 127 18.831 -8.814 9.038 1.00 0.00 H new ATOM 0 HA ASN B 127 18.972 -11.202 10.622 1.00 0.00 H new ATOM 0 HB2 ASN B 127 19.496 -10.710 8.066 1.00 0.00 H new ATOM 0 HB3 ASN B 127 21.092 -10.303 8.665 1.00 0.00 H new ATOM 0 HD21 ASN B 127 19.815 -14.216 8.507 1.00 0.00 H new ATOM 0 HD22 ASN B 127 18.717 -12.865 8.206 1.00 0.00 H new ATOM 2111 N PHE B 128 21.410 -8.966 10.980 1.00 0.00 N ATOM 2112 CA PHE B 128 22.492 -8.520 11.871 1.00 0.00 C ATOM 2113 C PHE B 128 21.945 -7.929 13.176 1.00 0.00 C ATOM 2114 O PHE B 128 22.252 -8.489 14.251 1.00 0.00 O ATOM 2115 CB PHE B 128 23.387 -7.500 11.159 1.00 0.00 C ATOM 2116 CG PHE B 128 24.300 -8.111 10.132 1.00 0.00 C ATOM 2117 CD1 PHE B 128 23.884 -8.263 8.819 1.00 0.00 C ATOM 2118 CD2 PHE B 128 25.573 -8.533 10.481 1.00 0.00 C ATOM 2119 CE1 PHE B 128 24.721 -8.825 7.873 1.00 0.00 C ATOM 2120 CE2 PHE B 128 26.414 -9.095 9.540 1.00 0.00 C ATOM 2121 CZ PHE B 128 25.987 -9.241 8.234 1.00 0.00 C ATOM 2122 OXT PHE B 128 21.208 -6.921 13.112 1.00 0.00 O1- ATOM 0 H PHE B 128 21.268 -8.364 10.169 1.00 0.00 H new ATOM 0 HA PHE B 128 23.087 -9.396 12.128 1.00 0.00 H new ATOM 0 HB2 PHE B 128 22.758 -6.753 10.675 1.00 0.00 H new ATOM 0 HB3 PHE B 128 23.989 -6.977 11.902 1.00 0.00 H new ATOM 0 HD1 PHE B 128 22.895 -7.939 8.531 1.00 0.00 H new ATOM 0 HD2 PHE B 128 25.912 -8.421 11.500 1.00 0.00 H new ATOM 0 HE1 PHE B 128 24.385 -8.938 6.853 1.00 0.00 H new ATOM 0 HE2 PHE B 128 27.404 -9.420 9.825 1.00 0.00 H new ATOM 0 HZ PHE B 128 26.643 -9.680 7.497 1.00 0.00 H new TER 2132 PHE B 128