USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1008 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= -0.503 K(o=-0.5,f=1.2) USER MOD Set 1.2: B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 85 THR OG1 : rot -103:sc= -0.718 USER MOD Set 2.2: B 117 ASN : amide:sc= -3.2! K(o=-3.9!,f=-2.8) USER MOD Set 3.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 45 TYR OH : rot 180:sc=-0.00312 USER MOD Set 4.2: A 65 SER OG : rot 82:sc= 0.681 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.095 (180deg=-0.116) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0376 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= -3.2! (180deg=-3.5!) USER MOD Single : A 20 THR OG1 : rot 180:sc=0.000937 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= 0.0943 (180deg=-2.43!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.2 K(o=-1.2,f=-7.4!) USER MOD Single : A 46 SER OG : rot 55:sc= 0.868 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.721 K(o=-0.72,f=-7.8!) USER MOD Single : A 50 MET CE :methyl -141:sc= -0.0596 (180deg=-3.82!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -37:sc= 0.939 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0054) USER MOD Single : A 68 HIS : no HD1:sc= -1 K(o=-1,f=-0.41) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.00655 USER MOD Single : B 101 HIS : no HD1:sc= -4.35! C(o=-4.3!,f=-8.7!) USER MOD Single : B 108 GLN : amide:sc= -0.348 K(o=-0.35,f=-0.99) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 113 CYS SG : rot 180:sc= -0.521 USER MOD Single : B 118 GLN : amide:sc= -6.14! C(o=-6.1!,f=-10!) USER MOD Single : B 120 SER OG : rot 180:sc= -0.989 USER MOD Single : B 125 SER OG : rot 83:sc= 0.107 USER MOD Single : B 127 ASN : amide:sc= 0.957 K(o=0.96,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.063 5.091 14.473 1.00 0.00 N ATOM 2 CA MET A 1 -10.319 3.680 14.081 1.00 0.00 C ATOM 3 C MET A 1 -9.303 3.207 13.047 1.00 0.00 C ATOM 4 O MET A 1 -8.803 4.003 12.247 1.00 0.00 O ATOM 5 CB MET A 1 -11.737 3.533 13.522 1.00 0.00 C ATOM 6 CG MET A 1 -12.817 3.519 14.596 1.00 0.00 C ATOM 7 SD MET A 1 -14.482 3.353 13.919 1.00 0.00 S ATOM 8 CE MET A 1 -14.835 5.042 13.435 1.00 0.00 C ATOM 0 H1 MET A 1 -10.953 5.628 14.439 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.678 5.119 15.439 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.378 5.515 13.815 1.00 0.00 H new ATOM 0 HA MET A 1 -10.219 3.060 14.972 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.933 4.353 12.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.798 2.610 12.946 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.627 2.695 15.284 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.757 4.440 15.176 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.858 5.108 13.065 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.717 5.699 14.296 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.144 5.347 12.649 1.00 0.00 H new ATOM 20 N LEU A 2 -9.008 1.904 13.075 1.00 0.00 N ATOM 21 CA LEU A 2 -8.050 1.295 12.154 1.00 0.00 C ATOM 22 C LEU A 2 -8.702 0.185 11.338 1.00 0.00 C ATOM 23 O LEU A 2 -9.533 -0.569 11.851 1.00 0.00 O ATOM 24 CB LEU A 2 -6.850 0.735 12.927 1.00 0.00 C ATOM 25 CG LEU A 2 -5.898 1.783 13.513 1.00 0.00 C ATOM 26 CD1 LEU A 2 -5.352 1.314 14.853 1.00 0.00 C ATOM 27 CD2 LEU A 2 -4.755 2.067 12.548 1.00 0.00 C ATOM 0 H LEU A 2 -9.425 1.247 13.734 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.706 2.070 11.469 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.222 0.112 13.740 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.282 0.085 12.261 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.457 2.706 13.668 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.678 2.070 15.256 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.177 1.157 15.547 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.809 0.379 14.717 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.090 2.814 12.982 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.198 1.148 12.363 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.158 2.443 11.607 1.00 0.00 H new ATOM 39 N ILE A 3 -8.318 0.100 10.063 1.00 0.00 N ATOM 40 CA ILE A 3 -8.842 -0.914 9.143 1.00 0.00 C ATOM 41 C ILE A 3 -7.735 -1.435 8.225 1.00 0.00 C ATOM 42 O ILE A 3 -6.816 -0.691 7.871 1.00 0.00 O ATOM 43 CB ILE A 3 -10.038 -0.389 8.290 1.00 0.00 C ATOM 44 CG1 ILE A 3 -9.832 1.066 7.825 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.333 -0.504 9.078 1.00 0.00 C ATOM 46 CD1 ILE A 3 -9.123 1.188 6.493 1.00 0.00 C ATOM 0 H ILE A 3 -7.637 0.730 9.639 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.216 -1.731 9.760 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.095 -1.011 7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.803 1.556 7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.258 1.601 8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.161 -0.135 8.473 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.510 -1.548 9.337 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.258 0.088 9.990 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.015 2.241 6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.137 0.728 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.706 0.682 5.723 1.00 0.00 H new ATOM 58 N LYS A 4 -7.835 -2.714 7.846 1.00 0.00 N ATOM 59 CA LYS A 4 -6.831 -3.348 6.982 1.00 0.00 C ATOM 60 C LYS A 4 -7.427 -3.739 5.635 1.00 0.00 C ATOM 61 O LYS A 4 -8.452 -4.422 5.582 1.00 0.00 O ATOM 62 CB LYS A 4 -6.247 -4.595 7.661 1.00 0.00 C ATOM 63 CG LYS A 4 -5.437 -4.302 8.923 1.00 0.00 C ATOM 64 CD LYS A 4 -5.054 -5.580 9.665 1.00 0.00 C ATOM 65 CE LYS A 4 -6.128 -6.005 10.663 1.00 0.00 C ATOM 66 NZ LYS A 4 -5.755 -7.256 11.381 1.00 0.00 N1+ ATOM 0 H LYS A 4 -8.599 -3.330 8.123 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.037 -2.620 6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.063 -5.271 7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.610 -5.118 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.534 -3.754 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.016 -3.658 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.890 -6.382 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.111 -5.426 10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.288 -5.205 11.386 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.072 -6.155 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.510 -7.511 12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.627 -8.026 10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.868 -7.106 11.902 1.00 0.00 H new ATOM 80 N VAL A 5 -6.774 -3.303 4.553 1.00 0.00 N ATOM 81 CA VAL A 5 -7.228 -3.616 3.193 1.00 0.00 C ATOM 82 C VAL A 5 -6.245 -4.585 2.507 1.00 0.00 C ATOM 83 O VAL A 5 -5.036 -4.510 2.733 1.00 0.00 O ATOM 84 CB VAL A 5 -7.457 -2.311 2.352 1.00 0.00 C ATOM 85 CG1 VAL A 5 -6.164 -1.541 2.093 1.00 0.00 C ATOM 86 CG2 VAL A 5 -8.175 -2.612 1.038 1.00 0.00 C ATOM 0 H VAL A 5 -5.929 -2.732 4.592 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.194 -4.118 3.258 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.097 -1.669 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.383 -0.648 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.717 -1.250 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.468 -2.174 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.317 -1.686 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.575 -3.303 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.145 -3.062 1.248 1.00 0.00 H new ATOM 96 N LYS A 6 -6.784 -5.482 1.673 1.00 0.00 N ATOM 97 CA LYS A 6 -5.974 -6.480 0.962 1.00 0.00 C ATOM 98 C LYS A 6 -5.594 -6.010 -0.440 1.00 0.00 C ATOM 99 O LYS A 6 -6.434 -5.482 -1.177 1.00 0.00 O ATOM 100 CB LYS A 6 -6.726 -7.812 0.871 1.00 0.00 C ATOM 101 CG LYS A 6 -6.752 -8.594 2.175 1.00 0.00 C ATOM 102 CD LYS A 6 -7.530 -9.895 2.030 1.00 0.00 C ATOM 103 CE LYS A 6 -7.539 -10.696 3.325 1.00 0.00 C ATOM 104 NZ LYS A 6 -6.220 -11.334 3.602 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.783 -5.538 1.473 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.056 -6.617 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.751 -7.619 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.264 -8.427 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.732 -8.812 2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.204 -7.984 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.555 -9.674 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.089 -10.495 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.805 -10.040 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.308 -11.466 3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.273 -11.868 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.977 -11.980 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.489 -10.599 3.682 1.00 0.00 H new ATOM 118 N THR A 7 -4.318 -6.212 -0.793 1.00 0.00 N ATOM 119 CA THR A 7 -3.789 -5.829 -2.104 1.00 0.00 C ATOM 120 C THR A 7 -3.656 -7.049 -3.019 1.00 0.00 C ATOM 121 O THR A 7 -3.641 -8.191 -2.548 1.00 0.00 O ATOM 122 CB THR A 7 -2.407 -5.141 -1.985 1.00 0.00 C ATOM 123 OG1 THR A 7 -2.162 -4.722 -0.637 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.328 -3.935 -2.906 1.00 0.00 C ATOM 0 H THR A 7 -3.627 -6.644 -0.179 1.00 0.00 H new ATOM 0 HA THR A 7 -4.500 -5.123 -2.534 1.00 0.00 H new ATOM 0 HB THR A 7 -1.649 -5.868 -2.277 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.067 -5.510 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.349 -3.466 -2.808 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.475 -4.255 -3.938 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.103 -3.218 -2.634 1.00 0.00 H new ATOM 132 N LEU A 8 -3.527 -6.791 -4.332 1.00 0.00 N ATOM 133 CA LEU A 8 -3.392 -7.855 -5.346 1.00 0.00 C ATOM 134 C LEU A 8 -2.019 -8.549 -5.285 1.00 0.00 C ATOM 135 O LEU A 8 -1.806 -9.572 -5.946 1.00 0.00 O ATOM 136 CB LEU A 8 -3.654 -7.321 -6.788 1.00 0.00 C ATOM 137 CG LEU A 8 -3.218 -5.870 -7.161 1.00 0.00 C ATOM 138 CD1 LEU A 8 -4.214 -4.839 -6.639 1.00 0.00 C ATOM 139 CD2 LEU A 8 -1.802 -5.535 -6.687 1.00 0.00 C ATOM 0 H LEU A 8 -3.513 -5.848 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.156 -8.595 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.159 -8.000 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.725 -7.399 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.209 -5.827 -8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.881 -3.839 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.195 -5.028 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.278 -4.913 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.554 -4.513 -6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.750 -5.629 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.092 -6.223 -7.146 1.00 0.00 H new ATOM 151 N THR A 9 -1.103 -7.987 -4.484 1.00 0.00 N ATOM 152 CA THR A 9 0.245 -8.542 -4.315 1.00 0.00 C ATOM 153 C THR A 9 0.280 -9.565 -3.165 1.00 0.00 C ATOM 154 O THR A 9 1.249 -10.318 -3.032 1.00 0.00 O ATOM 155 CB THR A 9 1.288 -7.423 -4.042 1.00 0.00 C ATOM 156 OG1 THR A 9 0.940 -6.236 -4.768 1.00 0.00 O ATOM 157 CG2 THR A 9 2.697 -7.856 -4.447 1.00 0.00 C ATOM 0 H THR A 9 -1.274 -7.142 -3.939 1.00 0.00 H new ATOM 0 HA THR A 9 0.504 -9.043 -5.248 1.00 0.00 H new ATOM 0 HB THR A 9 1.279 -7.224 -2.970 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.602 -5.536 -4.588 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.399 -7.048 -4.241 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.984 -8.740 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.714 -8.089 -5.512 1.00 0.00 H new ATOM 165 N GLY A 10 -0.784 -9.580 -2.343 1.00 0.00 N ATOM 166 CA GLY A 10 -0.865 -10.506 -1.217 1.00 0.00 C ATOM 167 C GLY A 10 -0.333 -9.908 0.074 1.00 0.00 C ATOM 168 O GLY A 10 0.385 -10.578 0.823 1.00 0.00 O ATOM 0 H GLY A 10 -1.590 -8.963 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.903 -10.806 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.302 -11.409 -1.453 1.00 0.00 H new ATOM 172 N LYS A 11 -0.691 -8.645 0.326 1.00 0.00 N ATOM 173 CA LYS A 11 -0.258 -7.923 1.523 1.00 0.00 C ATOM 174 C LYS A 11 -1.411 -7.121 2.116 1.00 0.00 C ATOM 175 O LYS A 11 -2.130 -6.432 1.387 1.00 0.00 O ATOM 176 CB LYS A 11 0.890 -6.972 1.177 1.00 0.00 C ATOM 177 CG LYS A 11 2.140 -7.192 2.020 1.00 0.00 C ATOM 178 CD LYS A 11 3.282 -6.268 1.602 1.00 0.00 C ATOM 179 CE LYS A 11 4.117 -6.858 0.469 1.00 0.00 C ATOM 180 NZ LYS A 11 5.213 -5.942 0.051 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.288 -8.097 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 11 0.080 -8.655 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.146 -7.093 0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.551 -5.944 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.903 -7.023 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.461 -8.230 1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.873 -5.308 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.924 -6.075 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.542 -7.810 0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.473 -7.067 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.282 -5.934 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.011 -4.980 0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.113 -6.270 0.456 1.00 0.00 H new ATOM 194 N GLU A 12 -1.587 -7.223 3.438 1.00 0.00 N ATOM 195 CA GLU A 12 -2.635 -6.476 4.141 1.00 0.00 C ATOM 196 C GLU A 12 -2.093 -5.104 4.556 1.00 0.00 C ATOM 197 O GLU A 12 -1.226 -5.015 5.428 1.00 0.00 O ATOM 198 CB GLU A 12 -3.138 -7.254 5.367 1.00 0.00 C ATOM 199 CG GLU A 12 -4.055 -8.419 5.025 1.00 0.00 C ATOM 200 CD GLU A 12 -4.528 -9.171 6.255 1.00 0.00 C ATOM 201 OE1 GLU A 12 -3.841 -10.130 6.665 1.00 0.00 O1- ATOM 202 OE2 GLU A 12 -5.585 -8.799 6.806 1.00 0.00 O ATOM 0 H GLU A 12 -1.017 -7.815 4.042 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.481 -6.339 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.280 -7.631 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.669 -6.568 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.920 -8.046 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.530 -9.107 4.363 1.00 0.00 H new ATOM 209 N ILE A 13 -2.651 -4.043 3.952 1.00 0.00 N ATOM 210 CA ILE A 13 -2.221 -2.658 4.208 1.00 0.00 C ATOM 211 C ILE A 13 -2.982 -2.107 5.427 1.00 0.00 C ATOM 212 O ILE A 13 -4.179 -2.376 5.588 1.00 0.00 O ATOM 213 CB ILE A 13 -2.543 -1.744 2.982 1.00 0.00 C ATOM 214 CG1 ILE A 13 -1.786 -2.219 1.725 1.00 0.00 C ATOM 215 CG2 ILE A 13 -2.232 -0.272 3.279 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.464 -1.832 0.417 1.00 0.00 C ATOM 0 H ILE A 13 -3.410 -4.120 3.275 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.146 -2.661 4.388 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.613 -1.824 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.779 -1.802 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.682 -3.303 1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.468 0.334 2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.832 0.063 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.174 -0.165 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.873 -2.200 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.461 -2.272 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.544 -0.747 0.356 1.00 0.00 H new ATOM 228 N GLU A 14 -2.280 -1.338 6.264 1.00 0.00 N ATOM 229 CA GLU A 14 -2.875 -0.746 7.463 1.00 0.00 C ATOM 230 C GLU A 14 -3.210 0.730 7.241 1.00 0.00 C ATOM 231 O GLU A 14 -2.320 1.546 6.979 1.00 0.00 O ATOM 232 CB GLU A 14 -1.923 -0.901 8.654 1.00 0.00 C ATOM 233 CG GLU A 14 -1.953 -2.283 9.287 1.00 0.00 C ATOM 234 CD GLU A 14 -0.948 -2.429 10.414 1.00 0.00 C ATOM 235 OE1 GLU A 14 -1.311 -2.142 11.573 1.00 0.00 O ATOM 236 OE2 GLU A 14 0.201 -2.834 10.135 1.00 0.00 O1- ATOM 0 H GLU A 14 -1.295 -1.111 6.131 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.804 -1.274 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.907 -0.684 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.179 -0.159 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.954 -2.482 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.749 -3.033 8.523 1.00 0.00 H new ATOM 243 N ILE A 15 -4.503 1.061 7.344 1.00 0.00 N ATOM 244 CA ILE A 15 -4.976 2.441 7.163 1.00 0.00 C ATOM 245 C ILE A 15 -6.049 2.804 8.180 1.00 0.00 C ATOM 246 O ILE A 15 -6.740 1.928 8.708 1.00 0.00 O ATOM 247 CB ILE A 15 -5.535 2.739 5.742 1.00 0.00 C ATOM 248 CG1 ILE A 15 -5.807 1.456 4.928 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.574 3.658 5.006 1.00 0.00 C ATOM 250 CD1 ILE A 15 -6.867 1.621 3.849 1.00 0.00 C ATOM 0 H ILE A 15 -5.243 0.391 7.552 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.085 3.052 7.310 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.499 3.233 5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.877 1.129 4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.117 0.664 5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.963 3.869 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.468 4.591 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.601 3.174 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.000 0.676 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.810 1.917 4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.551 2.389 3.143 1.00 0.00 H new ATOM 262 N ASP A 16 -6.179 4.110 8.441 1.00 0.00 N ATOM 263 CA ASP A 16 -7.169 4.623 9.385 1.00 0.00 C ATOM 264 C ASP A 16 -8.076 5.661 8.717 1.00 0.00 C ATOM 265 O ASP A 16 -7.606 6.714 8.271 1.00 0.00 O ATOM 266 CB ASP A 16 -6.488 5.214 10.641 1.00 0.00 C ATOM 267 CG ASP A 16 -5.397 6.234 10.329 1.00 0.00 C ATOM 268 OD1 ASP A 16 -4.227 5.825 10.182 1.00 0.00 O1- ATOM 269 OD2 ASP A 16 -5.719 7.438 10.237 1.00 0.00 O ATOM 0 H ASP A 16 -5.605 4.832 8.006 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.790 3.786 9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.246 5.687 11.265 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.056 4.401 11.225 1.00 0.00 H new ATOM 274 N ILE A 17 -9.373 5.344 8.648 1.00 0.00 N ATOM 275 CA ILE A 17 -10.367 6.237 8.035 1.00 0.00 C ATOM 276 C ILE A 17 -11.694 6.203 8.803 1.00 0.00 C ATOM 277 O ILE A 17 -11.964 5.256 9.549 1.00 0.00 O ATOM 278 CB ILE A 17 -10.619 5.908 6.527 1.00 0.00 C ATOM 279 CG1 ILE A 17 -10.807 4.397 6.273 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.475 6.442 5.676 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.252 3.944 6.326 1.00 0.00 C ATOM 0 H ILE A 17 -9.762 4.473 9.010 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.948 7.242 8.091 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.550 6.400 6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.393 4.148 5.296 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.234 3.839 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.661 6.207 4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.404 7.523 5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.540 5.979 5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.304 2.872 6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.665 4.160 7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.827 4.474 5.567 1.00 0.00 H new ATOM 293 N GLU A 18 -12.513 7.244 8.606 1.00 0.00 N ATOM 294 CA GLU A 18 -13.816 7.352 9.270 1.00 0.00 C ATOM 295 C GLU A 18 -14.939 6.791 8.376 1.00 0.00 C ATOM 296 O GLU A 18 -14.772 6.739 7.154 1.00 0.00 O ATOM 297 CB GLU A 18 -14.113 8.813 9.629 1.00 0.00 C ATOM 298 CG GLU A 18 -13.290 9.341 10.795 1.00 0.00 C ATOM 299 CD GLU A 18 -13.606 10.787 11.122 1.00 0.00 C ATOM 300 OE1 GLU A 18 -12.949 11.683 10.550 1.00 0.00 O1- ATOM 301 OE2 GLU A 18 -14.510 11.025 11.950 1.00 0.00 O ATOM 0 H GLU A 18 -12.294 8.026 7.989 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.777 6.762 10.185 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.928 9.437 8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.171 8.910 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.475 8.724 11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.230 9.249 10.558 1.00 0.00 H new ATOM 308 N PRO A 19 -16.112 6.363 8.957 1.00 0.00 N ATOM 309 CA PRO A 19 -17.239 5.811 8.169 1.00 0.00 C ATOM 310 C PRO A 19 -17.973 6.868 7.334 1.00 0.00 C ATOM 311 O PRO A 19 -18.683 6.528 6.382 1.00 0.00 O ATOM 312 CB PRO A 19 -18.193 5.235 9.232 1.00 0.00 C ATOM 313 CG PRO A 19 -17.426 5.240 10.512 1.00 0.00 C ATOM 314 CD PRO A 19 -16.443 6.366 10.400 1.00 0.00 C ATOM 0 HA PRO A 19 -16.879 5.078 7.447 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.096 5.839 9.315 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.508 4.225 8.969 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.090 5.385 11.364 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.915 4.289 10.664 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.876 7.315 10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.561 6.198 11.019 1.00 0.00 H new ATOM 322 N THR A 20 -17.782 8.147 7.697 1.00 0.00 N ATOM 323 CA THR A 20 -18.423 9.277 7.002 1.00 0.00 C ATOM 324 C THR A 20 -17.680 9.668 5.718 1.00 0.00 C ATOM 325 O THR A 20 -18.161 10.504 4.947 1.00 0.00 O ATOM 326 CB THR A 20 -18.521 10.516 7.916 1.00 0.00 C ATOM 327 OG1 THR A 20 -17.244 10.803 8.499 1.00 0.00 O ATOM 328 CG2 THR A 20 -19.550 10.303 9.016 1.00 0.00 C ATOM 0 H THR A 20 -17.184 8.426 8.474 1.00 0.00 H new ATOM 0 HA THR A 20 -19.424 8.937 6.736 1.00 0.00 H new ATOM 0 HB THR A 20 -18.838 11.361 7.305 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.318 11.592 9.076 1.00 0.00 H new ATOM 0 HG21 THR A 20 -19.599 11.191 9.646 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.527 10.121 8.569 1.00 0.00 H new ATOM 0 HG23 THR A 20 -19.262 9.444 9.622 1.00 0.00 H new ATOM 336 N ASP A 21 -16.510 9.052 5.498 1.00 0.00 N ATOM 337 CA ASP A 21 -15.688 9.319 4.313 1.00 0.00 C ATOM 338 C ASP A 21 -16.173 8.505 3.112 1.00 0.00 C ATOM 339 O ASP A 21 -16.775 7.439 3.279 1.00 0.00 O ATOM 340 CB ASP A 21 -14.217 9.000 4.599 1.00 0.00 C ATOM 341 CG ASP A 21 -13.572 10.010 5.529 1.00 0.00 C ATOM 342 OD1 ASP A 21 -13.031 11.017 5.028 1.00 0.00 O ATOM 343 OD2 ASP A 21 -13.608 9.793 6.758 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.111 8.360 6.132 1.00 0.00 H new ATOM 0 HA ASP A 21 -15.783 10.378 4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.144 8.006 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.665 8.973 3.659 1.00 0.00 H new ATOM 348 N LYS A 22 -15.903 9.018 1.904 1.00 0.00 N ATOM 349 CA LYS A 22 -16.314 8.355 0.661 1.00 0.00 C ATOM 350 C LYS A 22 -15.279 7.327 0.204 1.00 0.00 C ATOM 351 O LYS A 22 -14.086 7.456 0.505 1.00 0.00 O ATOM 352 CB LYS A 22 -16.545 9.381 -0.457 1.00 0.00 C ATOM 353 CG LYS A 22 -17.769 10.269 -0.256 1.00 0.00 C ATOM 354 CD LYS A 22 -18.476 10.546 -1.573 1.00 0.00 C ATOM 355 CE LYS A 22 -19.621 11.530 -1.394 1.00 0.00 C ATOM 356 NZ LYS A 22 -20.306 11.826 -2.684 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.400 9.894 1.762 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.249 7.836 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.662 10.014 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.648 8.851 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.460 9.787 0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.466 11.211 0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.762 10.944 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.858 9.612 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.342 11.123 -0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.240 12.456 -0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.080 12.501 -2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.624 12.238 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.692 10.946 -3.082 1.00 0.00 H new ATOM 370 N VAL A 23 -15.761 6.305 -0.523 1.00 0.00 N ATOM 371 CA VAL A 23 -14.912 5.219 -1.066 1.00 0.00 C ATOM 372 C VAL A 23 -13.738 5.780 -1.892 1.00 0.00 C ATOM 373 O VAL A 23 -12.626 5.249 -1.831 1.00 0.00 O ATOM 374 CB VAL A 23 -15.728 4.224 -1.954 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.966 2.917 -2.166 1.00 0.00 C ATOM 376 CG2 VAL A 23 -17.099 3.924 -1.354 1.00 0.00 C ATOM 0 H VAL A 23 -16.749 6.204 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.522 4.680 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.872 4.711 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.560 2.246 -2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.017 3.125 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.777 2.446 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.635 3.229 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.975 3.479 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.668 4.850 -1.266 1.00 0.00 H new ATOM 386 N GLU A 24 -13.998 6.865 -2.645 1.00 0.00 N ATOM 387 CA GLU A 24 -12.972 7.515 -3.486 1.00 0.00 C ATOM 388 C GLU A 24 -11.826 8.100 -2.643 1.00 0.00 C ATOM 389 O GLU A 24 -10.668 8.110 -3.077 1.00 0.00 O ATOM 390 CB GLU A 24 -13.596 8.606 -4.386 1.00 0.00 C ATOM 391 CG GLU A 24 -14.470 9.633 -3.662 1.00 0.00 C ATOM 392 CD GLU A 24 -15.000 10.707 -4.594 1.00 0.00 C ATOM 393 OE1 GLU A 24 -14.316 11.738 -4.761 1.00 0.00 O ATOM 394 OE2 GLU A 24 -16.099 10.514 -5.155 1.00 0.00 O1- ATOM 0 H GLU A 24 -14.914 7.313 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.549 6.741 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.792 9.135 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.197 8.120 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.308 9.122 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.891 10.101 -2.866 1.00 0.00 H new ATOM 401 N ARG A 25 -12.163 8.570 -1.428 1.00 0.00 N ATOM 402 CA ARG A 25 -11.174 9.143 -0.504 1.00 0.00 C ATOM 403 C ARG A 25 -10.234 8.056 0.022 1.00 0.00 C ATOM 404 O ARG A 25 -9.025 8.277 0.160 1.00 0.00 O ATOM 405 CB ARG A 25 -11.870 9.853 0.668 1.00 0.00 C ATOM 406 CG ARG A 25 -12.557 11.164 0.289 1.00 0.00 C ATOM 407 CD ARG A 25 -11.602 12.348 0.364 1.00 0.00 C ATOM 408 NE ARG A 25 -12.266 13.611 0.022 1.00 0.00 N ATOM 409 CZ ARG A 25 -11.780 14.829 0.303 1.00 0.00 C ATOM 410 NH1 ARG A 25 -10.616 14.979 0.935 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -12.466 15.906 -0.055 1.00 0.00 N ATOM 0 H ARG A 25 -13.116 8.563 -1.065 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.585 9.877 -1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.611 9.179 1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.133 10.054 1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.958 11.085 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.402 11.337 0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.188 12.417 1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.765 12.183 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.161 13.559 -0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.078 14.159 1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.264 15.914 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.357 15.805 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.102 16.835 0.155 1.00 0.00 H new ATOM 425 N ILE A 26 -10.809 6.872 0.299 1.00 0.00 N ATOM 426 CA ILE A 26 -10.041 5.710 0.768 1.00 0.00 C ATOM 427 C ILE A 26 -9.075 5.254 -0.343 1.00 0.00 C ATOM 428 O ILE A 26 -7.936 4.856 -0.067 1.00 0.00 O ATOM 429 CB ILE A 26 -10.985 4.543 1.205 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.948 5.026 2.308 1.00 0.00 C ATOM 431 CG2 ILE A 26 -10.180 3.333 1.703 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.288 4.308 2.338 1.00 0.00 C ATOM 0 H ILE A 26 -11.809 6.697 0.205 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.464 6.001 1.646 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.562 4.231 0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.462 4.902 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.125 6.093 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.864 2.538 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.531 2.974 0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.573 3.627 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.900 4.713 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.800 4.453 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.126 3.243 2.504 1.00 0.00 H new ATOM 444 N LYS A 27 -9.540 5.357 -1.604 1.00 0.00 N ATOM 445 CA LYS A 27 -8.732 4.993 -2.782 1.00 0.00 C ATOM 446 C LYS A 27 -7.532 5.934 -2.909 1.00 0.00 C ATOM 447 O LYS A 27 -6.445 5.516 -3.318 1.00 0.00 O ATOM 448 CB LYS A 27 -9.560 5.047 -4.073 1.00 0.00 C ATOM 449 CG LYS A 27 -10.848 4.241 -4.031 1.00 0.00 C ATOM 450 CD LYS A 27 -11.484 4.130 -5.409 1.00 0.00 C ATOM 451 CE LYS A 27 -12.449 2.961 -5.479 1.00 0.00 C ATOM 452 NZ LYS A 27 -13.103 2.860 -6.813 1.00 0.00 N1+ ATOM 0 H LYS A 27 -10.476 5.691 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.386 3.969 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.804 6.087 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.947 4.685 -4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.641 3.243 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.550 4.711 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.012 5.054 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.706 4.007 -6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.914 2.035 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.212 3.073 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.754 2.049 -6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.635 3.733 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.377 2.727 -7.546 1.00 0.00 H new ATOM 466 N GLU A 28 -7.751 7.216 -2.552 1.00 0.00 N ATOM 467 CA GLU A 28 -6.693 8.238 -2.571 1.00 0.00 C ATOM 468 C GLU A 28 -5.627 7.914 -1.517 1.00 0.00 C ATOM 469 O GLU A 28 -4.430 8.128 -1.739 1.00 0.00 O ATOM 470 CB GLU A 28 -7.279 9.632 -2.313 1.00 0.00 C ATOM 471 CG GLU A 28 -8.077 10.189 -3.483 1.00 0.00 C ATOM 472 CD GLU A 28 -8.646 11.565 -3.197 1.00 0.00 C ATOM 473 OE1 GLU A 28 -9.778 11.642 -2.675 1.00 0.00 O1- ATOM 474 OE2 GLU A 28 -7.960 12.565 -3.497 1.00 0.00 O ATOM 0 H GLU A 28 -8.659 7.566 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.231 8.235 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.923 9.588 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.466 10.320 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.436 10.240 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.892 9.505 -3.721 1.00 0.00 H new ATOM 481 N ARG A 29 -6.091 7.378 -0.369 1.00 0.00 N ATOM 482 CA ARG A 29 -5.207 6.962 0.734 1.00 0.00 C ATOM 483 C ARG A 29 -4.277 5.835 0.271 1.00 0.00 C ATOM 484 O ARG A 29 -3.098 5.787 0.643 1.00 0.00 O ATOM 485 CB ARG A 29 -6.036 6.477 1.934 1.00 0.00 C ATOM 486 CG ARG A 29 -6.795 7.585 2.661 1.00 0.00 C ATOM 487 CD ARG A 29 -6.108 8.000 3.958 1.00 0.00 C ATOM 488 NE ARG A 29 -4.841 8.707 3.727 1.00 0.00 N ATOM 489 CZ ARG A 29 -4.041 9.172 4.698 1.00 0.00 C ATOM 490 NH1 ARG A 29 -4.355 9.019 5.983 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -2.916 9.797 4.377 1.00 0.00 N ATOM 0 H ARG A 29 -7.082 7.223 -0.183 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.611 7.823 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.750 5.729 1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.373 5.981 2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.884 8.452 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.807 7.246 2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.778 8.641 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.920 7.114 4.564 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.549 8.855 2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.217 8.541 6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.733 9.380 6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.664 9.922 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.303 10.153 5.111 1.00 0.00 H new ATOM 505 N VAL A 30 -4.830 4.939 -0.567 1.00 0.00 N ATOM 506 CA VAL A 30 -4.081 3.802 -1.125 1.00 0.00 C ATOM 507 C VAL A 30 -2.994 4.300 -2.099 1.00 0.00 C ATOM 508 O VAL A 30 -1.830 3.910 -1.980 1.00 0.00 O ATOM 509 CB VAL A 30 -5.021 2.786 -1.853 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.319 1.456 -2.098 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.307 2.544 -1.066 1.00 0.00 C ATOM 0 H VAL A 30 -5.802 4.983 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.610 3.283 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.278 3.233 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.000 0.773 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.438 1.618 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.015 1.024 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.934 1.833 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.062 2.141 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.844 3.485 -0.949 1.00 0.00 H new ATOM 521 N GLU A 31 -3.389 5.196 -3.027 1.00 0.00 N ATOM 522 CA GLU A 31 -2.478 5.773 -4.040 1.00 0.00 C ATOM 523 C GLU A 31 -1.220 6.385 -3.397 1.00 0.00 C ATOM 524 O GLU A 31 -0.097 6.121 -3.837 1.00 0.00 O ATOM 525 CB GLU A 31 -3.228 6.844 -4.861 1.00 0.00 C ATOM 526 CG GLU A 31 -2.442 7.397 -6.051 1.00 0.00 C ATOM 527 CD GLU A 31 -3.024 8.687 -6.604 1.00 0.00 C ATOM 528 OE1 GLU A 31 -3.106 9.679 -5.846 1.00 0.00 O1- ATOM 529 OE2 GLU A 31 -3.389 8.708 -7.797 1.00 0.00 O ATOM 0 H GLU A 31 -4.347 5.540 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.151 4.966 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.162 6.416 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.493 7.670 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.410 7.572 -5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.418 6.648 -6.842 1.00 0.00 H new ATOM 536 N GLU A 32 -1.429 7.187 -2.348 1.00 0.00 N ATOM 537 CA GLU A 32 -0.333 7.855 -1.631 1.00 0.00 C ATOM 538 C GLU A 32 0.527 6.870 -0.820 1.00 0.00 C ATOM 539 O GLU A 32 1.703 7.141 -0.569 1.00 0.00 O ATOM 540 CB GLU A 32 -0.866 8.989 -0.728 1.00 0.00 C ATOM 541 CG GLU A 32 -2.002 8.599 0.217 1.00 0.00 C ATOM 542 CD GLU A 32 -2.547 9.783 0.992 1.00 0.00 C ATOM 543 OE1 GLU A 32 -1.833 10.288 1.884 1.00 0.00 O1- ATOM 544 OE2 GLU A 32 -3.686 10.207 0.706 1.00 0.00 O ATOM 0 H GLU A 32 -2.355 7.392 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 32 0.314 8.294 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.038 9.375 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.210 9.805 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.808 8.144 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.644 7.844 0.917 1.00 0.00 H new ATOM 551 N LYS A 33 -0.068 5.737 -0.413 1.00 0.00 N ATOM 552 CA LYS A 33 0.640 4.732 0.389 1.00 0.00 C ATOM 553 C LYS A 33 1.493 3.770 -0.458 1.00 0.00 C ATOM 554 O LYS A 33 2.673 3.570 -0.156 1.00 0.00 O ATOM 555 CB LYS A 33 -0.363 3.925 1.214 1.00 0.00 C ATOM 556 CG LYS A 33 -0.121 3.947 2.717 1.00 0.00 C ATOM 557 CD LYS A 33 -0.215 2.545 3.290 1.00 0.00 C ATOM 558 CE LYS A 33 -0.387 2.544 4.798 1.00 0.00 C ATOM 559 NZ LYS A 33 -0.109 1.202 5.384 1.00 0.00 N1+ ATOM 0 H LYS A 33 -1.036 5.496 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 33 1.323 5.279 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.365 4.307 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.343 2.890 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.863 4.367 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.853 4.594 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.055 2.024 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.685 1.988 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.283 3.280 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.404 2.847 5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.973 0.833 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.197 0.552 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.642 1.284 6.098 1.00 0.00 H new ATOM 573 N GLU A 34 0.900 3.182 -1.512 1.00 0.00 N ATOM 574 CA GLU A 34 1.616 2.212 -2.358 1.00 0.00 C ATOM 575 C GLU A 34 2.054 2.795 -3.711 1.00 0.00 C ATOM 576 O GLU A 34 2.980 2.265 -4.331 1.00 0.00 O ATOM 577 CB GLU A 34 0.752 0.965 -2.577 1.00 0.00 C ATOM 578 CG GLU A 34 1.541 -0.341 -2.568 1.00 0.00 C ATOM 579 CD GLU A 34 0.644 -1.563 -2.539 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.277 -2.055 -3.627 1.00 0.00 O ATOM 581 OE2 GLU A 34 0.308 -2.027 -1.430 1.00 0.00 O1- ATOM 0 H GLU A 34 -0.063 3.359 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 34 2.527 1.945 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.011 0.923 -1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.232 1.058 -3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.178 -0.383 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.200 -0.357 -1.700 1.00 0.00 H new ATOM 588 N GLY A 35 1.382 3.856 -4.177 1.00 0.00 N ATOM 589 CA GLY A 35 1.751 4.477 -5.448 1.00 0.00 C ATOM 590 C GLY A 35 1.009 3.910 -6.649 1.00 0.00 C ATOM 591 O GLY A 35 1.628 3.625 -7.679 1.00 0.00 O ATOM 0 H GLY A 35 0.594 4.294 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.559 5.548 -5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.823 4.354 -5.604 1.00 0.00 H new ATOM 595 N ILE A 36 -0.313 3.746 -6.517 1.00 0.00 N ATOM 596 CA ILE A 36 -1.147 3.224 -7.609 1.00 0.00 C ATOM 597 C ILE A 36 -2.368 4.141 -7.812 1.00 0.00 C ATOM 598 O ILE A 36 -3.011 4.514 -6.829 1.00 0.00 O ATOM 599 CB ILE A 36 -1.640 1.761 -7.349 1.00 0.00 C ATOM 600 CG1 ILE A 36 -0.467 0.841 -6.954 1.00 0.00 C ATOM 601 CG2 ILE A 36 -2.355 1.194 -8.588 1.00 0.00 C ATOM 602 CD1 ILE A 36 -0.897 -0.443 -6.268 1.00 0.00 C ATOM 0 H ILE A 36 -0.829 3.967 -5.665 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.525 3.206 -8.504 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.348 1.796 -6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.103 0.590 -7.849 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.204 1.388 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.688 0.177 -8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.217 1.817 -8.827 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.667 1.186 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.016 -1.036 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.440 -0.203 -5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.543 -1.013 -6.935 1.00 0.00 H new ATOM 614 N PRO A 37 -2.720 4.515 -9.089 1.00 0.00 N ATOM 615 CA PRO A 37 -3.885 5.387 -9.378 1.00 0.00 C ATOM 616 C PRO A 37 -5.213 4.828 -8.814 1.00 0.00 C ATOM 617 O PRO A 37 -5.433 3.615 -8.877 1.00 0.00 O ATOM 618 CB PRO A 37 -3.938 5.430 -10.916 1.00 0.00 C ATOM 619 CG PRO A 37 -3.096 4.287 -11.370 1.00 0.00 C ATOM 620 CD PRO A 37 -2.019 4.147 -10.343 1.00 0.00 C ATOM 0 HA PRO A 37 -3.771 6.365 -8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.962 5.332 -11.277 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.555 6.377 -11.297 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.685 3.373 -11.447 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.674 4.479 -12.357 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.625 3.131 -10.304 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.177 4.808 -10.546 1.00 0.00 H new ATOM 628 N PRO A 38 -6.121 5.695 -8.253 1.00 0.00 N ATOM 629 CA PRO A 38 -7.415 5.244 -7.681 1.00 0.00 C ATOM 630 C PRO A 38 -8.352 4.594 -8.708 1.00 0.00 C ATOM 631 O PRO A 38 -8.975 3.564 -8.422 1.00 0.00 O ATOM 632 CB PRO A 38 -8.052 6.539 -7.145 1.00 0.00 C ATOM 633 CG PRO A 38 -6.931 7.506 -7.017 1.00 0.00 C ATOM 634 CD PRO A 38 -5.969 7.165 -8.113 1.00 0.00 C ATOM 0 HA PRO A 38 -7.252 4.474 -6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.817 6.912 -7.826 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.537 6.370 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.287 8.532 -7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.455 7.425 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.213 7.685 -9.039 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.947 7.441 -7.852 1.00 0.00 H new ATOM 642 N GLN A 39 -8.416 5.184 -9.912 1.00 0.00 N ATOM 643 CA GLN A 39 -9.288 4.702 -10.999 1.00 0.00 C ATOM 644 C GLN A 39 -8.921 3.293 -11.497 1.00 0.00 C ATOM 645 O GLN A 39 -9.700 2.678 -12.233 1.00 0.00 O ATOM 646 CB GLN A 39 -9.254 5.685 -12.175 1.00 0.00 C ATOM 647 CG GLN A 39 -10.009 6.981 -11.917 1.00 0.00 C ATOM 648 CD GLN A 39 -9.954 7.931 -13.098 1.00 0.00 C ATOM 649 OE1 GLN A 39 -9.052 8.762 -13.200 1.00 0.00 O ATOM 650 NE2 GLN A 39 -10.924 7.814 -13.997 1.00 0.00 N ATOM 0 H GLN A 39 -7.867 6.007 -10.161 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.293 4.640 -10.582 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.216 5.921 -12.409 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.676 5.199 -13.055 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.050 6.752 -11.688 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.590 7.473 -11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.652 7.111 -13.873 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.941 8.427 -14.812 1.00 0.00 H new ATOM 659 N GLN A 40 -7.748 2.789 -11.095 1.00 0.00 N ATOM 660 CA GLN A 40 -7.301 1.457 -11.516 1.00 0.00 C ATOM 661 C GLN A 40 -7.423 0.421 -10.390 1.00 0.00 C ATOM 662 O GLN A 40 -7.052 -0.748 -10.606 1.00 0.00 O ATOM 663 CB GLN A 40 -5.849 1.487 -12.025 1.00 0.00 C ATOM 664 CG GLN A 40 -5.558 2.566 -13.068 1.00 0.00 C ATOM 665 CD GLN A 40 -6.086 2.219 -14.443 1.00 0.00 C ATOM 666 OE1 GLN A 40 -7.214 2.560 -14.797 1.00 0.00 O ATOM 667 NE2 GLN A 40 -5.265 1.533 -15.223 1.00 0.00 N ATOM 0 H GLN A 40 -7.096 3.280 -10.483 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.961 1.159 -12.330 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.184 1.635 -11.174 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.608 0.514 -12.453 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.001 3.507 -12.742 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.481 2.724 -13.128 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.339 1.273 -14.885 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.559 1.265 -16.162 1.00 0.00 H new ATOM 676 N GLN A 41 -7.979 0.842 -9.218 1.00 0.00 N ATOM 677 CA GLN A 41 -8.158 -0.033 -8.026 1.00 0.00 C ATOM 678 C GLN A 41 -9.642 -0.172 -7.628 1.00 0.00 C ATOM 679 O GLN A 41 -10.332 0.845 -7.499 1.00 0.00 O ATOM 680 CB GLN A 41 -7.384 0.543 -6.838 1.00 0.00 C ATOM 681 CG GLN A 41 -5.874 0.451 -6.976 1.00 0.00 C ATOM 682 CD GLN A 41 -5.146 1.009 -5.767 1.00 0.00 C ATOM 683 OE1 GLN A 41 -4.775 0.267 -4.859 1.00 0.00 O ATOM 684 NE2 GLN A 41 -4.951 2.324 -5.744 1.00 0.00 N ATOM 0 H GLN A 41 -8.314 1.795 -9.075 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.778 -1.020 -8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.663 1.589 -6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.688 0.018 -5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.588 -0.591 -7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.560 0.993 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.276 2.901 -6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.477 2.755 -4.951 1.00 0.00 H new ATOM 693 N ARG A 42 -10.150 -1.426 -7.435 1.00 0.00 N ATOM 694 CA ARG A 42 -11.553 -1.609 -7.027 1.00 0.00 C ATOM 695 C ARG A 42 -11.657 -2.075 -5.577 1.00 0.00 C ATOM 696 O ARG A 42 -10.983 -3.022 -5.177 1.00 0.00 O ATOM 697 CB ARG A 42 -12.272 -2.604 -7.937 1.00 0.00 C ATOM 698 CG ARG A 42 -13.306 -1.957 -8.846 1.00 0.00 C ATOM 699 CD ARG A 42 -14.199 -2.995 -9.505 1.00 0.00 C ATOM 700 NE ARG A 42 -15.041 -2.408 -10.553 1.00 0.00 N ATOM 701 CZ ARG A 42 -15.543 -3.084 -11.596 1.00 0.00 C ATOM 702 NH1 ARG A 42 -15.302 -4.383 -11.758 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -16.295 -2.449 -12.486 1.00 0.00 N ATOM 0 H ARG A 42 -9.620 -2.289 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.037 -0.637 -7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.535 -3.122 -8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.762 -3.359 -7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.918 -1.265 -8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.801 -1.371 -9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.582 -3.784 -9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.832 -3.461 -8.750 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.260 -1.414 -10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.726 -4.883 -11.081 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.694 -4.878 -12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.487 -1.454 -12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.681 -2.956 -13.282 1.00 0.00 H new ATOM 717 N LEU A 43 -12.512 -1.402 -4.798 1.00 0.00 N ATOM 718 CA LEU A 43 -12.717 -1.750 -3.389 1.00 0.00 C ATOM 719 C LEU A 43 -13.968 -2.612 -3.237 1.00 0.00 C ATOM 720 O LEU A 43 -15.069 -2.204 -3.625 1.00 0.00 O ATOM 721 CB LEU A 43 -12.821 -0.480 -2.526 1.00 0.00 C ATOM 722 CG LEU A 43 -12.556 -0.669 -1.020 1.00 0.00 C ATOM 723 CD1 LEU A 43 -11.061 -0.671 -0.714 1.00 0.00 C ATOM 724 CD2 LEU A 43 -13.258 0.413 -0.216 1.00 0.00 C ATOM 0 H LEU A 43 -13.073 -0.613 -5.121 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.857 -2.323 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.115 0.256 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.819 -0.060 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.959 -1.640 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.909 -0.806 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.580 -1.486 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.625 0.278 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.060 0.264 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.886 1.391 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.332 0.361 -0.395 1.00 0.00 H new ATOM 736 N ILE A 44 -13.779 -3.806 -2.671 1.00 0.00 N ATOM 737 CA ILE A 44 -14.871 -4.761 -2.472 1.00 0.00 C ATOM 738 C ILE A 44 -14.951 -5.187 -1.001 1.00 0.00 C ATOM 739 O ILE A 44 -13.925 -5.308 -0.323 1.00 0.00 O ATOM 740 CB ILE A 44 -14.705 -6.022 -3.380 1.00 0.00 C ATOM 741 CG1 ILE A 44 -14.203 -5.619 -4.791 1.00 0.00 C ATOM 742 CG2 ILE A 44 -16.029 -6.796 -3.470 1.00 0.00 C ATOM 743 CD1 ILE A 44 -13.782 -6.777 -5.682 1.00 0.00 C ATOM 0 H ILE A 44 -12.872 -4.136 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.797 -4.260 -2.753 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.957 -6.675 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.993 -5.062 -5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.357 -4.941 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.896 -7.671 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -16.333 -7.115 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.799 -6.152 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.447 -6.392 -6.645 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.968 -7.324 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.629 -7.446 -5.833 1.00 0.00 H new ATOM 755 N TYR A 45 -16.184 -5.398 -0.524 1.00 0.00 N ATOM 756 CA TYR A 45 -16.440 -5.821 0.857 1.00 0.00 C ATOM 757 C TYR A 45 -17.538 -6.883 0.884 1.00 0.00 C ATOM 758 O TYR A 45 -18.581 -6.715 0.244 1.00 0.00 O ATOM 759 CB TYR A 45 -16.843 -4.612 1.722 1.00 0.00 C ATOM 760 CG TYR A 45 -16.790 -4.868 3.218 1.00 0.00 C ATOM 761 CD1 TYR A 45 -15.602 -4.734 3.926 1.00 0.00 C ATOM 762 CD2 TYR A 45 -17.931 -5.243 3.917 1.00 0.00 C ATOM 763 CE1 TYR A 45 -15.553 -4.967 5.287 1.00 0.00 C ATOM 764 CE2 TYR A 45 -17.890 -5.477 5.278 1.00 0.00 C ATOM 765 CZ TYR A 45 -16.699 -5.337 5.958 1.00 0.00 C ATOM 766 OH TYR A 45 -16.654 -5.570 7.313 1.00 0.00 O ATOM 0 H TYR A 45 -17.029 -5.281 -1.083 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.526 -6.250 1.268 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.186 -3.775 1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.855 -4.309 1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.702 -4.443 3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -18.866 -5.353 3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.621 -4.860 5.823 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -18.786 -5.768 5.806 1.00 0.00 H new ATOM 0 HH TYR A 45 -17.546 -5.820 7.632 1.00 0.00 H new ATOM 776 N SER A 46 -17.288 -7.982 1.638 1.00 0.00 N ATOM 777 CA SER A 46 -18.228 -9.127 1.792 1.00 0.00 C ATOM 778 C SER A 46 -18.343 -9.961 0.507 1.00 0.00 C ATOM 779 O SER A 46 -18.247 -11.191 0.544 1.00 0.00 O ATOM 780 CB SER A 46 -19.631 -8.663 2.231 1.00 0.00 C ATOM 781 OG SER A 46 -19.572 -7.919 3.435 1.00 0.00 O ATOM 0 H SER A 46 -16.421 -8.102 2.162 1.00 0.00 H new ATOM 0 HA SER A 46 -17.805 -9.757 2.575 1.00 0.00 H new ATOM 0 HB2 SER A 46 -20.077 -8.053 1.445 1.00 0.00 H new ATOM 0 HB3 SER A 46 -20.277 -9.530 2.368 1.00 0.00 H new ATOM 0 HG SER A 46 -18.943 -7.175 3.329 1.00 0.00 H new ATOM 787 N GLY A 47 -18.547 -9.267 -0.611 1.00 0.00 N ATOM 788 CA GLY A 47 -18.693 -9.900 -1.910 1.00 0.00 C ATOM 789 C GLY A 47 -19.309 -8.950 -2.921 1.00 0.00 C ATOM 790 O GLY A 47 -19.382 -9.263 -4.113 1.00 0.00 O ATOM 0 H GLY A 47 -18.615 -8.250 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.718 -10.232 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.317 -10.789 -1.816 1.00 0.00 H new ATOM 794 N LYS A 48 -19.753 -7.786 -2.426 1.00 0.00 N ATOM 795 CA LYS A 48 -20.366 -6.758 -3.260 1.00 0.00 C ATOM 796 C LYS A 48 -19.368 -5.639 -3.543 1.00 0.00 C ATOM 797 O LYS A 48 -18.563 -5.289 -2.675 1.00 0.00 O ATOM 798 CB LYS A 48 -21.615 -6.184 -2.582 1.00 0.00 C ATOM 799 CG LYS A 48 -22.806 -7.133 -2.579 1.00 0.00 C ATOM 800 CD LYS A 48 -24.007 -6.516 -1.881 1.00 0.00 C ATOM 801 CE LYS A 48 -25.195 -7.465 -1.876 1.00 0.00 C ATOM 802 NZ LYS A 48 -26.378 -6.872 -1.193 1.00 0.00 N1+ ATOM 0 H LYS A 48 -19.695 -7.537 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.661 -7.217 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.370 -5.921 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -21.899 -5.261 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -23.072 -7.389 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -22.531 -8.062 -2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -23.741 -6.259 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -24.283 -5.588 -2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -25.459 -7.721 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -24.916 -8.393 -1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.166 -7.551 -1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -26.135 -6.651 -0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.661 -6.000 -1.684 1.00 0.00 H new ATOM 816 N GLN A 49 -19.438 -5.076 -4.755 1.00 0.00 N ATOM 817 CA GLN A 49 -18.536 -3.991 -5.171 1.00 0.00 C ATOM 818 C GLN A 49 -19.050 -2.635 -4.686 1.00 0.00 C ATOM 819 O GLN A 49 -20.254 -2.366 -4.736 1.00 0.00 O ATOM 820 CB GLN A 49 -18.371 -3.978 -6.696 1.00 0.00 C ATOM 821 CG GLN A 49 -17.698 -5.224 -7.258 1.00 0.00 C ATOM 822 CD GLN A 49 -17.668 -5.236 -8.774 1.00 0.00 C ATOM 823 OE1 GLN A 49 -16.724 -4.747 -9.392 1.00 0.00 O ATOM 824 NE2 GLN A 49 -18.707 -5.798 -9.381 1.00 0.00 N ATOM 0 H GLN A 49 -20.112 -5.354 -5.468 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.563 -4.173 -4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -19.353 -3.869 -7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.787 -3.103 -6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.678 -5.285 -6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.225 -6.109 -6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.469 -6.192 -8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.743 -5.836 -10.400 1.00 0.00 H new ATOM 833 N MET A 50 -18.122 -1.790 -4.219 1.00 0.00 N ATOM 834 CA MET A 50 -18.454 -0.457 -3.703 1.00 0.00 C ATOM 835 C MET A 50 -18.417 0.594 -4.812 1.00 0.00 C ATOM 836 O MET A 50 -17.646 0.469 -5.769 1.00 0.00 O ATOM 837 CB MET A 50 -17.485 -0.065 -2.583 1.00 0.00 C ATOM 838 CG MET A 50 -17.572 -0.953 -1.345 1.00 0.00 C ATOM 839 SD MET A 50 -16.492 -0.402 -0.010 1.00 0.00 S ATOM 840 CE MET A 50 -17.506 0.866 0.747 1.00 0.00 C ATOM 0 H MET A 50 -17.126 -2.010 -4.188 1.00 0.00 H new ATOM 0 HA MET A 50 -19.468 -0.497 -3.305 1.00 0.00 H new ATOM 0 HB2 MET A 50 -16.467 -0.098 -2.970 1.00 0.00 H new ATOM 0 HB3 MET A 50 -17.682 0.967 -2.292 1.00 0.00 H new ATOM 0 HG2 MET A 50 -18.602 -0.971 -0.989 1.00 0.00 H new ATOM 0 HG3 MET A 50 -17.311 -1.975 -1.618 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.877 1.705 1.044 1.00 0.00 H new ATOM 0 HE2 MET A 50 -18.254 1.208 0.032 1.00 0.00 H new ATOM 0 HE3 MET A 50 -18.004 0.457 1.626 1.00 0.00 H new ATOM 850 N ASN A 51 -19.258 1.623 -4.669 1.00 0.00 N ATOM 851 CA ASN A 51 -19.341 2.708 -5.649 1.00 0.00 C ATOM 852 C ASN A 51 -18.732 3.994 -5.095 1.00 0.00 C ATOM 853 O ASN A 51 -18.817 4.265 -3.892 1.00 0.00 O ATOM 854 CB ASN A 51 -20.796 2.953 -6.057 1.00 0.00 C ATOM 855 CG ASN A 51 -21.358 1.834 -6.915 1.00 0.00 C ATOM 856 OD1 ASN A 51 -21.917 0.864 -6.403 1.00 0.00 O ATOM 857 ND2 ASN A 51 -21.209 1.964 -8.228 1.00 0.00 N ATOM 0 H ASN A 51 -19.894 1.726 -3.878 1.00 0.00 H new ATOM 0 HA ASN A 51 -18.772 2.408 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -21.407 3.061 -5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -20.863 3.894 -6.604 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -21.565 1.243 -8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -20.739 2.785 -8.609 1.00 0.00 H new ATOM 864 N ASP A 52 -18.145 4.798 -5.996 1.00 0.00 N ATOM 865 CA ASP A 52 -17.496 6.075 -5.635 1.00 0.00 C ATOM 866 C ASP A 52 -18.485 7.115 -5.076 1.00 0.00 C ATOM 867 O ASP A 52 -18.068 8.104 -4.464 1.00 0.00 O ATOM 868 CB ASP A 52 -16.739 6.660 -6.844 1.00 0.00 C ATOM 869 CG ASP A 52 -17.585 6.765 -8.109 1.00 0.00 C ATOM 870 OD1 ASP A 52 -18.228 7.818 -8.306 1.00 0.00 O1- ATOM 871 OD2 ASP A 52 -17.600 5.796 -8.896 1.00 0.00 O ATOM 0 H ASP A 52 -18.105 4.585 -6.993 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.789 5.847 -4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.368 7.651 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.868 6.038 -7.051 1.00 0.00 H new ATOM 876 N GLU A 53 -19.783 6.880 -5.295 1.00 0.00 N ATOM 877 CA GLU A 53 -20.838 7.779 -4.813 1.00 0.00 C ATOM 878 C GLU A 53 -21.327 7.367 -3.419 1.00 0.00 C ATOM 879 O GLU A 53 -22.091 8.100 -2.781 1.00 0.00 O ATOM 880 CB GLU A 53 -22.015 7.798 -5.796 1.00 0.00 C ATOM 881 CG GLU A 53 -21.730 8.556 -7.085 1.00 0.00 C ATOM 882 CD GLU A 53 -22.913 8.558 -8.033 1.00 0.00 C ATOM 883 OE1 GLU A 53 -23.747 9.483 -7.939 1.00 0.00 O1- ATOM 884 OE2 GLU A 53 -23.005 7.634 -8.870 1.00 0.00 O ATOM 0 H GLU A 53 -20.130 6.069 -5.807 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.414 8.781 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.287 6.771 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.878 8.247 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.459 9.584 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -20.870 8.108 -7.583 1.00 0.00 H new ATOM 891 N LYS A 54 -20.877 6.193 -2.953 1.00 0.00 N ATOM 892 CA LYS A 54 -21.263 5.673 -1.640 1.00 0.00 C ATOM 893 C LYS A 54 -20.131 5.863 -0.624 1.00 0.00 C ATOM 894 O LYS A 54 -19.024 6.273 -0.990 1.00 0.00 O ATOM 895 CB LYS A 54 -21.646 4.188 -1.747 1.00 0.00 C ATOM 896 CG LYS A 54 -22.916 3.934 -2.546 1.00 0.00 C ATOM 897 CD LYS A 54 -23.401 2.503 -2.381 1.00 0.00 C ATOM 898 CE LYS A 54 -24.676 2.252 -3.169 1.00 0.00 C ATOM 899 NZ LYS A 54 -25.160 0.854 -3.013 1.00 0.00 N1+ ATOM 0 H LYS A 54 -20.242 5.586 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 54 -22.130 6.234 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -20.823 3.643 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.773 3.783 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -23.695 4.623 -2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.730 4.137 -3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -22.625 1.814 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.578 2.297 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -25.450 2.943 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -24.497 2.458 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -26.031 0.724 -3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -24.432 0.194 -3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.356 0.664 -2.009 1.00 0.00 H new ATOM 913 N THR A 55 -20.420 5.569 0.652 1.00 0.00 N ATOM 914 CA THR A 55 -19.436 5.707 1.723 1.00 0.00 C ATOM 915 C THR A 55 -19.266 4.391 2.480 1.00 0.00 C ATOM 916 O THR A 55 -20.108 3.491 2.375 1.00 0.00 O ATOM 917 CB THR A 55 -19.827 6.815 2.730 1.00 0.00 C ATOM 918 OG1 THR A 55 -21.135 6.568 3.262 1.00 0.00 O ATOM 919 CG2 THR A 55 -19.791 8.196 2.089 1.00 0.00 C ATOM 0 H THR A 55 -21.332 5.233 0.963 1.00 0.00 H new ATOM 0 HA THR A 55 -18.496 5.984 1.246 1.00 0.00 H new ATOM 0 HB THR A 55 -19.094 6.794 3.537 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.708 6.193 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 55 -20.071 8.947 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.784 8.402 1.726 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.492 8.228 1.255 1.00 0.00 H new ATOM 927 N ALA A 56 -18.181 4.301 3.263 1.00 0.00 N ATOM 928 CA ALA A 56 -17.869 3.107 4.057 1.00 0.00 C ATOM 929 C ALA A 56 -18.980 2.771 5.062 1.00 0.00 C ATOM 930 O ALA A 56 -19.211 1.597 5.368 1.00 0.00 O ATOM 931 CB ALA A 56 -16.547 3.301 4.776 1.00 0.00 C ATOM 0 H ALA A 56 -17.498 5.052 3.363 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.793 2.263 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.319 2.412 5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.756 3.465 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.615 4.166 5.436 1.00 0.00 H new ATOM 937 N ALA A 57 -19.670 3.814 5.558 1.00 0.00 N ATOM 938 CA ALA A 57 -20.775 3.649 6.515 1.00 0.00 C ATOM 939 C ALA A 57 -21.949 2.877 5.901 1.00 0.00 C ATOM 940 O ALA A 57 -22.636 2.122 6.600 1.00 0.00 O ATOM 941 CB ALA A 57 -21.247 5.006 7.014 1.00 0.00 C ATOM 0 H ALA A 57 -19.479 4.784 5.309 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.397 3.067 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.065 4.869 7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -20.422 5.519 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.593 5.604 6.171 1.00 0.00 H new ATOM 947 N ASP A 58 -22.149 3.046 4.579 1.00 0.00 N ATOM 948 CA ASP A 58 -23.231 2.372 3.844 1.00 0.00 C ATOM 949 C ASP A 58 -23.050 0.845 3.819 1.00 0.00 C ATOM 950 O ASP A 58 -23.986 0.110 3.492 1.00 0.00 O ATOM 951 CB ASP A 58 -23.303 2.908 2.415 1.00 0.00 C ATOM 952 CG ASP A 58 -23.956 4.274 2.340 1.00 0.00 C ATOM 953 OD1 ASP A 58 -25.200 4.344 2.432 1.00 0.00 O ATOM 954 OD2 ASP A 58 -23.225 5.274 2.187 1.00 0.00 O1- ATOM 0 H ASP A 58 -21.568 3.649 3.997 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.163 2.585 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.296 2.967 2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.862 2.207 1.795 1.00 0.00 H new ATOM 959 N TYR A 59 -21.840 0.390 4.165 1.00 0.00 N ATOM 960 CA TYR A 59 -21.517 -1.033 4.202 1.00 0.00 C ATOM 961 C TYR A 59 -21.175 -1.481 5.633 1.00 0.00 C ATOM 962 O TYR A 59 -20.544 -2.525 5.838 1.00 0.00 O ATOM 963 CB TYR A 59 -20.360 -1.329 3.238 1.00 0.00 C ATOM 964 CG TYR A 59 -20.754 -1.273 1.776 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.787 -0.065 1.088 1.00 0.00 C ATOM 966 CD2 TYR A 59 -21.091 -2.430 1.085 1.00 0.00 C ATOM 967 CE1 TYR A 59 -21.146 -0.013 -0.245 1.00 0.00 C ATOM 968 CE2 TYR A 59 -21.451 -2.386 -0.248 1.00 0.00 C ATOM 969 CZ TYR A 59 -21.477 -1.175 -0.909 1.00 0.00 C ATOM 970 OH TYR A 59 -21.835 -1.128 -2.237 1.00 0.00 O ATOM 0 H TYR A 59 -21.064 0.998 4.425 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.390 -1.601 3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.558 -0.613 3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -19.959 -2.318 3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.528 0.848 1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -21.071 -3.380 1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -21.167 0.934 -0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.711 -3.295 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 59 -22.037 -2.033 -2.554 1.00 0.00 H new ATOM 980 N LYS A 60 -21.624 -0.674 6.629 1.00 0.00 N ATOM 981 CA LYS A 60 -21.420 -0.927 8.085 1.00 0.00 C ATOM 982 C LYS A 60 -19.974 -1.345 8.457 1.00 0.00 C ATOM 983 O LYS A 60 -19.762 -2.138 9.383 1.00 0.00 O ATOM 984 CB LYS A 60 -22.470 -1.937 8.653 1.00 0.00 C ATOM 985 CG LYS A 60 -22.647 -3.253 7.880 1.00 0.00 C ATOM 986 CD LYS A 60 -21.564 -4.275 8.216 1.00 0.00 C ATOM 987 CE LYS A 60 -21.762 -5.581 7.461 1.00 0.00 C ATOM 988 NZ LYS A 60 -22.913 -6.369 7.990 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.145 0.183 6.444 1.00 0.00 H new ATOM 0 HA LYS A 60 -21.581 0.037 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.190 -2.179 9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.437 -1.435 8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -23.625 -3.676 8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.630 -3.048 6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.586 -3.860 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.570 -4.471 9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -21.925 -5.367 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -20.853 -6.179 7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -22.989 -7.265 7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.763 -6.568 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -23.791 -5.824 7.871 1.00 0.00 H new ATOM 1002 N ILE A 61 -18.988 -0.782 7.745 1.00 0.00 N ATOM 1003 CA ILE A 61 -17.569 -1.077 7.998 1.00 0.00 C ATOM 1004 C ILE A 61 -17.045 -0.219 9.162 1.00 0.00 C ATOM 1005 O ILE A 61 -17.073 1.013 9.094 1.00 0.00 O ATOM 1006 CB ILE A 61 -16.696 -0.839 6.728 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.336 -1.503 5.494 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.275 -1.378 6.935 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.044 -0.791 4.185 1.00 0.00 C ATOM 0 H ILE A 61 -19.147 -0.118 6.987 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.495 -2.132 8.264 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.640 0.236 6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -16.981 -2.531 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.416 -1.548 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.684 -1.201 6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -14.812 -0.868 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.318 -2.448 7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.530 -1.321 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.424 0.229 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.968 -0.769 4.015 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.575 -0.892 10.219 1.00 0.00 N ATOM 1022 CA LEU A 62 -16.056 -0.215 11.412 1.00 0.00 C ATOM 1023 C LEU A 62 -14.586 -0.578 11.676 1.00 0.00 C ATOM 1024 O LEU A 62 -14.020 -1.464 11.015 1.00 0.00 O ATOM 1025 CB LEU A 62 -16.923 -0.573 12.647 1.00 0.00 C ATOM 1026 CG LEU A 62 -18.280 0.164 12.822 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -18.108 1.682 12.870 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -19.279 -0.228 11.736 1.00 0.00 C ATOM 0 H LEU A 62 -16.544 -1.910 10.271 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.106 0.859 11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.126 -1.643 12.614 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.325 -0.389 13.540 1.00 0.00 H new ATOM 0 HG LEU A 62 -18.682 -0.154 13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -19.082 2.155 12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -17.466 1.949 13.710 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.653 2.026 11.941 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -20.215 0.308 11.892 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.873 0.029 10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.463 -1.301 11.781 1.00 0.00 H new ATOM 1040 N GLY A 63 -13.981 0.118 12.663 1.00 0.00 N ATOM 1041 CA GLY A 63 -12.585 -0.108 13.039 1.00 0.00 C ATOM 1042 C GLY A 63 -12.296 -1.547 13.429 1.00 0.00 C ATOM 1043 O GLY A 63 -12.761 -2.023 14.469 1.00 0.00 O ATOM 0 H GLY A 63 -14.447 0.842 13.210 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.941 0.172 12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.330 0.546 13.873 1.00 0.00 H new ATOM 1047 N GLY A 64 -11.525 -2.224 12.580 1.00 0.00 N ATOM 1048 CA GLY A 64 -11.183 -3.618 12.807 1.00 0.00 C ATOM 1049 C GLY A 64 -11.662 -4.523 11.682 1.00 0.00 C ATOM 1050 O GLY A 64 -11.392 -5.727 11.700 1.00 0.00 O ATOM 0 H GLY A 64 -11.127 -1.825 11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.102 -3.712 12.910 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.623 -3.949 13.748 1.00 0.00 H new ATOM 1054 N SER A 65 -12.375 -3.938 10.700 1.00 0.00 N ATOM 1055 CA SER A 65 -12.894 -4.689 9.555 1.00 0.00 C ATOM 1056 C SER A 65 -11.821 -4.889 8.481 1.00 0.00 C ATOM 1057 O SER A 65 -10.881 -4.091 8.369 1.00 0.00 O ATOM 1058 CB SER A 65 -14.103 -3.967 8.958 1.00 0.00 C ATOM 1059 OG SER A 65 -15.145 -3.846 9.911 1.00 0.00 O ATOM 0 H SER A 65 -12.602 -2.944 10.683 1.00 0.00 H new ATOM 0 HA SER A 65 -13.199 -5.673 9.912 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.805 -2.977 8.612 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.464 -4.514 8.087 1.00 0.00 H new ATOM 0 HG SER A 65 -14.967 -3.079 10.495 1.00 0.00 H new ATOM 1065 N VAL A 66 -11.976 -5.964 7.703 1.00 0.00 N ATOM 1066 CA VAL A 66 -11.034 -6.302 6.634 1.00 0.00 C ATOM 1067 C VAL A 66 -11.623 -5.900 5.276 1.00 0.00 C ATOM 1068 O VAL A 66 -12.667 -6.416 4.864 1.00 0.00 O ATOM 1069 CB VAL A 66 -10.678 -7.823 6.632 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -9.514 -8.127 5.690 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -10.344 -8.318 8.037 1.00 0.00 C ATOM 0 H VAL A 66 -12.752 -6.620 7.796 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.113 -5.748 6.814 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.561 -8.352 6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.295 -9.194 5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.782 -7.835 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.634 -7.568 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.101 -9.380 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.490 -7.763 8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.203 -8.165 8.691 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.939 -4.973 4.600 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.366 -4.479 3.289 1.00 0.00 C ATOM 1083 C LEU A 67 -10.598 -5.176 2.168 1.00 0.00 C ATOM 1084 O LEU A 67 -9.465 -5.626 2.371 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.147 -2.958 3.190 1.00 0.00 C ATOM 1086 CG LEU A 67 -11.893 -2.081 4.213 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -11.322 -0.673 4.203 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.392 -2.034 3.926 1.00 0.00 C ATOM 0 H LEU A 67 -10.079 -4.546 4.944 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.428 -4.699 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.079 -2.761 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.439 -2.637 2.190 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.754 -2.526 5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -11.855 -0.059 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.264 -0.707 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.437 -0.241 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.885 -1.406 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -13.559 -1.620 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.803 -3.042 3.973 1.00 0.00 H new ATOM 1100 N HIS A 68 -11.224 -5.261 0.989 1.00 0.00 N ATOM 1101 CA HIS A 68 -10.607 -5.893 -0.177 1.00 0.00 C ATOM 1102 C HIS A 68 -10.407 -4.878 -1.298 1.00 0.00 C ATOM 1103 O HIS A 68 -11.284 -4.052 -1.560 1.00 0.00 O ATOM 1104 CB HIS A 68 -11.461 -7.063 -0.676 1.00 0.00 C ATOM 1105 CG HIS A 68 -11.475 -8.239 0.252 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -10.711 -9.369 0.049 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -12.168 -8.458 1.396 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -10.933 -10.232 1.025 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -11.814 -9.702 1.854 1.00 0.00 N ATOM 0 H HIS A 68 -12.162 -4.897 0.819 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.633 -6.276 0.126 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.484 -6.717 -0.825 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -11.089 -7.384 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.868 -7.780 1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.473 -11.204 1.127 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -12.173 -10.146 2.699 1.00 0.00 H new ATOM 1118 N LEU A 69 -9.239 -4.945 -1.945 1.00 0.00 N ATOM 1119 CA LEU A 69 -8.894 -4.042 -3.045 1.00 0.00 C ATOM 1120 C LEU A 69 -8.292 -4.839 -4.200 1.00 0.00 C ATOM 1121 O LEU A 69 -7.251 -5.485 -4.039 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.904 -2.956 -2.538 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.619 -1.721 -3.439 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -6.741 -2.073 -4.638 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -8.906 -1.038 -3.897 1.00 0.00 C ATOM 0 H LEU A 69 -8.511 -5.623 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.793 -3.545 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.279 -2.588 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.951 -3.446 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.067 -1.014 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.569 -1.179 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.786 -2.464 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.241 -2.827 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.660 -0.181 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.509 -1.744 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.469 -0.701 -3.026 1.00 0.00 H new ATOM 1137 N VAL A 70 -8.959 -4.798 -5.362 1.00 0.00 N ATOM 1138 CA VAL A 70 -8.482 -5.520 -6.542 1.00 0.00 C ATOM 1139 C VAL A 70 -8.820 -4.837 -7.863 1.00 0.00 C ATOM 1140 O VAL A 70 -9.984 -4.678 -8.230 1.00 0.00 O ATOM 1141 CB VAL A 70 -8.981 -6.981 -6.611 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -7.917 -7.912 -6.063 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -10.303 -7.168 -5.879 1.00 0.00 C ATOM 0 H VAL A 70 -9.823 -4.276 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.400 -5.515 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.165 -7.227 -7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.273 -8.941 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.007 -7.813 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.705 -7.652 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.616 -8.209 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.179 -6.900 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.062 -6.528 -6.329 1.00 0.00 H new ATOM 1153 N LEU A 71 -7.817 -4.164 -8.387 1.00 0.00 N ATOM 1154 CA LEU A 71 -7.849 -3.575 -9.720 1.00 0.00 C ATOM 1155 C LEU A 71 -6.437 -3.409 -10.291 1.00 0.00 C ATOM 1156 O LEU A 71 -5.449 -3.554 -9.564 1.00 0.00 O ATOM 1157 CB LEU A 71 -8.786 -2.394 -9.918 1.00 0.00 C ATOM 1158 CG LEU A 71 -9.625 -2.466 -11.205 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -10.771 -3.467 -11.084 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -10.168 -1.095 -11.576 1.00 0.00 C ATOM 0 H LEU A 71 -6.938 -4.005 -7.894 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.350 -4.311 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.458 -2.330 -9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.198 -1.476 -9.931 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.962 -2.811 -11.998 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.338 -3.486 -12.015 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.367 -4.460 -10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.428 -3.171 -10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.758 -1.172 -12.489 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.797 -0.722 -10.768 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.338 -0.406 -11.737 1.00 0.00 H new ATOM 1172 N ALA A 72 -6.350 -3.103 -11.596 1.00 0.00 N ATOM 1173 CA ALA A 72 -5.067 -2.994 -12.332 1.00 0.00 C ATOM 1174 C ALA A 72 -4.287 -4.317 -12.332 1.00 0.00 C ATOM 1175 O ALA A 72 -3.681 -4.698 -11.323 1.00 0.00 O ATOM 1176 CB ALA A 72 -4.198 -1.852 -11.786 1.00 0.00 C ATOM 0 H ALA A 72 -7.168 -2.922 -12.178 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.321 -2.762 -13.366 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.266 -1.802 -12.349 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.733 -0.908 -11.886 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.977 -2.034 -10.734 1.00 0.00 H new ATOM 1275 N ARG B 80 18.684 4.186 -9.980 1.00 0.00 N ATOM 1276 CA ARG B 80 19.033 3.664 -8.659 1.00 0.00 C ATOM 1277 C ARG B 80 18.233 4.375 -7.572 1.00 0.00 C ATOM 1278 O ARG B 80 17.992 5.582 -7.665 1.00 0.00 O ATOM 1279 CB ARG B 80 20.537 3.822 -8.403 1.00 0.00 C ATOM 1280 CG ARG B 80 21.184 2.607 -7.739 1.00 0.00 C ATOM 1281 CD ARG B 80 21.526 1.500 -8.744 1.00 0.00 C ATOM 1282 NE ARG B 80 20.330 0.934 -9.395 1.00 0.00 N ATOM 1283 CZ ARG B 80 19.626 -0.109 -8.935 1.00 0.00 C ATOM 1284 NH1 ARG B 80 19.975 -0.736 -7.813 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 18.556 -0.515 -9.604 1.00 0.00 N ATOM 0 HA ARG B 80 18.784 2.603 -8.632 1.00 0.00 H new ATOM 0 HB2 ARG B 80 21.038 4.015 -9.351 1.00 0.00 H new ATOM 0 HB3 ARG B 80 20.698 4.697 -7.773 1.00 0.00 H new ATOM 0 HG2 ARG B 80 22.093 2.919 -7.224 1.00 0.00 H new ATOM 0 HG3 ARG B 80 20.509 2.209 -6.981 1.00 0.00 H new ATOM 0 HD2 ARG B 80 22.194 1.901 -9.506 1.00 0.00 H new ATOM 0 HD3 ARG B 80 22.067 0.704 -8.232 1.00 0.00 H new ATOM 0 HE ARG B 80 20.015 1.370 -10.262 1.00 0.00 H new ATOM 0 HH11 ARG B 80 20.791 -0.424 -7.287 1.00 0.00 H new ATOM 0 HH12 ARG B 80 19.426 -1.528 -7.479 1.00 0.00 H new ATOM 0 HH21 ARG B 80 18.277 -0.034 -10.459 1.00 0.00 H new ATOM 0 HH22 ARG B 80 18.012 -1.308 -9.264 1.00 0.00 H new ATOM 1299 N LYS B 81 17.825 3.617 -6.544 1.00 0.00 N ATOM 1300 CA LYS B 81 17.032 4.165 -5.436 1.00 0.00 C ATOM 1301 C LYS B 81 17.536 3.639 -4.082 1.00 0.00 C ATOM 1302 O LYS B 81 16.750 3.393 -3.160 1.00 0.00 O ATOM 1303 CB LYS B 81 15.543 3.825 -5.631 1.00 0.00 C ATOM 1304 CG LYS B 81 14.894 4.538 -6.815 1.00 0.00 C ATOM 1305 CD LYS B 81 13.389 4.304 -6.855 1.00 0.00 C ATOM 1306 CE LYS B 81 12.992 3.293 -7.923 1.00 0.00 C ATOM 1307 NZ LYS B 81 12.960 3.903 -9.283 1.00 0.00 N1+ ATOM 0 H LYS B 81 18.032 2.622 -6.458 1.00 0.00 H new ATOM 0 HA LYS B 81 17.147 5.249 -5.435 1.00 0.00 H new ATOM 0 HB2 LYS B 81 15.441 2.748 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS B 81 15.000 4.083 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS B 81 15.095 5.607 -6.751 1.00 0.00 H new ATOM 0 HG3 LYS B 81 15.342 4.185 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS B 81 13.052 3.952 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS B 81 12.881 5.249 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS B 81 13.696 2.461 -7.915 1.00 0.00 H new ATOM 0 HE3 LYS B 81 12.011 2.882 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 12.686 3.182 -9.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 12.269 4.680 -9.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 13.903 4.273 -9.520 1.00 0.00 H new ATOM 1321 N THR B 82 18.865 3.498 -3.966 1.00 0.00 N ATOM 1322 CA THR B 82 19.520 3.001 -2.743 1.00 0.00 C ATOM 1323 C THR B 82 19.490 4.024 -1.603 1.00 0.00 C ATOM 1324 O THR B 82 19.268 3.669 -0.445 1.00 0.00 O ATOM 1325 CB THR B 82 20.990 2.613 -3.007 1.00 0.00 C ATOM 1326 OG1 THR B 82 21.656 3.659 -3.725 1.00 0.00 O ATOM 1327 CG2 THR B 82 21.082 1.314 -3.791 1.00 0.00 C ATOM 0 H THR B 82 19.517 3.725 -4.717 1.00 0.00 H new ATOM 0 HA THR B 82 18.950 2.122 -2.443 1.00 0.00 H new ATOM 0 HB THR B 82 21.477 2.468 -2.043 1.00 0.00 H new ATOM 0 HG1 THR B 82 22.588 3.403 -3.886 1.00 0.00 H new ATOM 0 HG21 THR B 82 22.129 1.066 -3.962 1.00 0.00 H new ATOM 0 HG22 THR B 82 20.607 0.513 -3.225 1.00 0.00 H new ATOM 0 HG23 THR B 82 20.576 1.431 -4.749 1.00 0.00 H new ATOM 1335 N ARG B 83 19.724 5.289 -1.955 1.00 0.00 N ATOM 1336 CA ARG B 83 19.767 6.405 -0.998 1.00 0.00 C ATOM 1337 C ARG B 83 18.417 6.706 -0.328 1.00 0.00 C ATOM 1338 O ARG B 83 18.382 6.991 0.866 1.00 0.00 O ATOM 1339 CB ARG B 83 20.287 7.670 -1.687 1.00 0.00 C ATOM 1340 CG ARG B 83 21.789 7.661 -1.934 1.00 0.00 C ATOM 1341 CD ARG B 83 22.265 8.981 -2.519 1.00 0.00 C ATOM 1342 NE ARG B 83 23.718 8.999 -2.726 1.00 0.00 N ATOM 1343 CZ ARG B 83 24.454 10.110 -2.874 1.00 0.00 C ATOM 1344 NH1 ARG B 83 23.893 11.317 -2.842 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 25.764 10.008 -3.056 1.00 0.00 N ATOM 0 H ARG B 83 19.891 5.574 -2.920 1.00 0.00 H new ATOM 0 HA ARG B 83 20.445 6.091 -0.205 1.00 0.00 H new ATOM 0 HB2 ARG B 83 19.772 7.791 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.034 8.536 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.312 7.467 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.042 6.848 -2.614 1.00 0.00 H new ATOM 0 HD2 ARG B 83 21.761 9.159 -3.469 1.00 0.00 H new ATOM 0 HD3 ARG B 83 21.984 9.796 -1.852 1.00 0.00 H new ATOM 0 HE ARG B 83 24.203 8.102 -2.760 1.00 0.00 H new ATOM 0 HH11 ARG B 83 22.887 11.408 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG B 83 24.470 12.151 -2.956 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.205 9.089 -3.083 1.00 0.00 H new ATOM 0 HH22 ARG B 83 26.330 10.849 -3.169 1.00 0.00 H new ATOM 1359 N GLU B 84 17.318 6.633 -1.101 1.00 0.00 N ATOM 1360 CA GLU B 84 15.976 6.977 -0.619 1.00 0.00 C ATOM 1361 C GLU B 84 15.418 5.900 0.296 1.00 0.00 C ATOM 1362 O GLU B 84 14.805 6.184 1.328 1.00 0.00 O ATOM 1363 CB GLU B 84 15.041 7.194 -1.817 1.00 0.00 C ATOM 1364 CG GLU B 84 15.155 8.573 -2.458 1.00 0.00 C ATOM 1365 CD GLU B 84 16.368 8.710 -3.363 1.00 0.00 C ATOM 1366 OE1 GLU B 84 17.440 9.111 -2.860 1.00 0.00 O1- ATOM 1367 OE2 GLU B 84 16.246 8.418 -4.570 1.00 0.00 O ATOM 0 H GLU B 84 17.340 6.334 -2.076 1.00 0.00 H new ATOM 0 HA GLU B 84 16.046 7.897 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU B 84 15.254 6.436 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU B 84 14.012 7.041 -1.493 1.00 0.00 H new ATOM 0 HG2 GLU B 84 14.253 8.774 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU B 84 15.207 9.329 -1.674 1.00 0.00 H new ATOM 1374 N THR B 85 15.656 4.658 -0.117 1.00 0.00 N ATOM 1375 CA THR B 85 15.194 3.465 0.578 1.00 0.00 C ATOM 1376 C THR B 85 15.724 3.362 2.025 1.00 0.00 C ATOM 1377 O THR B 85 14.955 3.443 3.008 1.00 0.00 O ATOM 1378 CB THR B 85 15.649 2.232 -0.226 1.00 0.00 C ATOM 1379 OG1 THR B 85 16.970 2.452 -0.723 1.00 0.00 O ATOM 1380 CG2 THR B 85 14.717 1.951 -1.392 1.00 0.00 C ATOM 0 H THR B 85 16.187 4.451 -0.963 1.00 0.00 H new ATOM 0 HA THR B 85 14.108 3.519 0.649 1.00 0.00 H new ATOM 0 HB THR B 85 15.631 1.369 0.440 1.00 0.00 H new ATOM 0 HG1 THR B 85 16.927 2.681 -1.675 1.00 0.00 H new ATOM 0 HG21 THR B 85 15.069 1.075 -1.936 1.00 0.00 H new ATOM 0 HG22 THR B 85 13.711 1.765 -1.017 1.00 0.00 H new ATOM 0 HG23 THR B 85 14.701 2.811 -2.061 1.00 0.00 H new ATOM 1388 N GLU B 86 17.044 3.226 2.152 1.00 0.00 N ATOM 1389 CA GLU B 86 17.692 3.146 3.460 1.00 0.00 C ATOM 1390 C GLU B 86 17.456 4.432 4.242 1.00 0.00 C ATOM 1391 O GLU B 86 17.337 4.382 5.453 1.00 0.00 O ATOM 1392 CB GLU B 86 19.154 2.676 3.401 1.00 0.00 C ATOM 1393 CG GLU B 86 20.056 3.455 2.450 1.00 0.00 C ATOM 1394 CD GLU B 86 21.460 2.890 2.386 1.00 0.00 C ATOM 1395 OE1 GLU B 86 21.706 2.005 1.540 1.00 0.00 O ATOM 1396 OE2 GLU B 86 22.316 3.334 3.180 1.00 0.00 O1- ATOM 0 H GLU B 86 17.687 3.169 1.362 1.00 0.00 H new ATOM 0 HA GLU B 86 17.216 2.346 4.026 1.00 0.00 H new ATOM 0 HB2 GLU B 86 19.577 2.734 4.404 1.00 0.00 H new ATOM 0 HB3 GLU B 86 19.168 1.626 3.109 1.00 0.00 H new ATOM 0 HG2 GLU B 86 19.619 3.446 1.452 1.00 0.00 H new ATOM 0 HG3 GLU B 86 20.101 4.496 2.769 1.00 0.00 H new ATOM 1403 N ARG B 87 17.404 5.584 3.530 1.00 0.00 N ATOM 1404 CA ARG B 87 17.118 6.896 4.154 1.00 0.00 C ATOM 1405 C ARG B 87 15.879 6.779 5.060 1.00 0.00 C ATOM 1406 O ARG B 87 15.847 7.384 6.136 1.00 0.00 O ATOM 1407 CB ARG B 87 16.874 7.971 3.084 1.00 0.00 C ATOM 1408 CG ARG B 87 17.288 9.383 3.505 1.00 0.00 C ATOM 1409 CD ARG B 87 18.748 9.675 3.173 1.00 0.00 C ATOM 1410 NE ARG B 87 18.962 9.891 1.736 1.00 0.00 N ATOM 1411 CZ ARG B 87 20.113 10.307 1.189 1.00 0.00 C ATOM 1412 NH1 ARG B 87 21.181 10.562 1.943 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 20.193 10.470 -0.124 1.00 0.00 N ATOM 0 H ARG B 87 17.557 5.629 2.523 1.00 0.00 H new ATOM 0 HA ARG B 87 17.983 7.190 4.748 1.00 0.00 H new ATOM 0 HB2 ARG B 87 17.420 7.699 2.181 1.00 0.00 H new ATOM 0 HB3 ARG B 87 15.815 7.977 2.826 1.00 0.00 H new ATOM 0 HG2 ARG B 87 16.650 10.112 3.005 1.00 0.00 H new ATOM 0 HG3 ARG B 87 17.129 9.503 4.577 1.00 0.00 H new ATOM 0 HD2 ARG B 87 19.073 10.558 3.723 1.00 0.00 H new ATOM 0 HD3 ARG B 87 19.368 8.844 3.509 1.00 0.00 H new ATOM 0 HE ARG B 87 18.178 9.711 1.109 1.00 0.00 H new ATOM 0 HH11 ARG B 87 21.132 10.442 2.955 1.00 0.00 H new ATOM 0 HH12 ARG B 87 22.048 10.878 1.509 1.00 0.00 H new ATOM 0 HH21 ARG B 87 19.382 10.279 -0.712 1.00 0.00 H new ATOM 0 HH22 ARG B 87 21.066 10.786 -0.546 1.00 0.00 H new ATOM 1427 N LEU B 88 14.852 6.012 4.598 1.00 0.00 N ATOM 1428 CA LEU B 88 13.646 5.730 5.414 1.00 0.00 C ATOM 1429 C LEU B 88 14.109 5.215 6.751 1.00 0.00 C ATOM 1430 O LEU B 88 13.773 5.706 7.830 1.00 0.00 O ATOM 1431 CB LEU B 88 12.780 4.554 4.809 1.00 0.00 C ATOM 1432 CG LEU B 88 12.483 3.360 5.816 1.00 0.00 C ATOM 1433 CD1 LEU B 88 11.336 3.647 6.782 1.00 0.00 C ATOM 1434 CD2 LEU B 88 12.261 2.014 5.133 1.00 0.00 C ATOM 0 H LEU B 88 14.839 5.583 3.673 1.00 0.00 H new ATOM 0 HA LEU B 88 13.059 6.648 5.460 1.00 0.00 H new ATOM 0 HB2 LEU B 88 11.831 4.962 4.461 1.00 0.00 H new ATOM 0 HB3 LEU B 88 13.295 4.155 3.935 1.00 0.00 H new ATOM 0 HG LEU B 88 13.403 3.287 6.397 1.00 0.00 H new ATOM 0 HD11 LEU B 88 11.190 2.789 7.439 1.00 0.00 H new ATOM 0 HD12 LEU B 88 11.576 4.526 7.381 1.00 0.00 H new ATOM 0 HD13 LEU B 88 10.422 3.831 6.217 1.00 0.00 H new ATOM 0 HD21 LEU B 88 12.065 1.252 5.887 1.00 0.00 H new ATOM 0 HD22 LEU B 88 11.408 2.085 4.458 1.00 0.00 H new ATOM 0 HD23 LEU B 88 13.151 1.743 4.566 1.00 0.00 H new ATOM 1446 N ARG B 89 14.893 4.179 6.571 1.00 0.00 N ATOM 1447 CA ARG B 89 15.431 3.357 7.616 1.00 0.00 C ATOM 1448 C ARG B 89 16.549 4.015 8.454 1.00 0.00 C ATOM 1449 O ARG B 89 16.564 3.862 9.679 1.00 0.00 O ATOM 1450 CB ARG B 89 15.853 2.078 6.908 1.00 0.00 C ATOM 1451 CG ARG B 89 15.735 0.822 7.778 1.00 0.00 C ATOM 1452 CD ARG B 89 16.946 0.632 8.685 1.00 0.00 C ATOM 1453 NE ARG B 89 16.743 -0.456 9.649 1.00 0.00 N ATOM 1454 CZ ARG B 89 17.239 -0.476 10.894 1.00 0.00 C ATOM 1455 NH1 ARG B 89 17.978 0.531 11.358 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 16.989 -1.513 11.682 1.00 0.00 N ATOM 0 H ARG B 89 15.185 3.875 5.642 1.00 0.00 H new ATOM 0 HA ARG B 89 14.687 3.169 8.390 1.00 0.00 H new ATOM 0 HB2 ARG B 89 15.241 1.949 6.015 1.00 0.00 H new ATOM 0 HB3 ARG B 89 16.885 2.182 6.574 1.00 0.00 H new ATOM 0 HG2 ARG B 89 14.834 0.888 8.388 1.00 0.00 H new ATOM 0 HG3 ARG B 89 15.623 -0.052 7.137 1.00 0.00 H new ATOM 0 HD2 ARG B 89 17.825 0.419 8.077 1.00 0.00 H new ATOM 0 HD3 ARG B 89 17.147 1.559 9.221 1.00 0.00 H new ATOM 0 HE ARG B 89 16.184 -1.255 9.350 1.00 0.00 H new ATOM 0 HH11 ARG B 89 18.175 1.335 10.763 1.00 0.00 H new ATOM 0 HH12 ARG B 89 18.347 0.497 12.308 1.00 0.00 H new ATOM 0 HH21 ARG B 89 16.422 -2.289 11.339 1.00 0.00 H new ATOM 0 HH22 ARG B 89 17.363 -1.535 12.631 1.00 0.00 H new ATOM 1470 N ARG B 90 17.468 4.736 7.803 1.00 0.00 N ATOM 1471 CA ARG B 90 18.576 5.418 8.491 1.00 0.00 C ATOM 1472 C ARG B 90 18.073 6.652 9.260 1.00 0.00 C ATOM 1473 O ARG B 90 18.453 6.871 10.414 1.00 0.00 O ATOM 1474 CB ARG B 90 19.661 5.821 7.475 1.00 0.00 C ATOM 1475 CG ARG B 90 21.078 5.894 8.054 1.00 0.00 C ATOM 1476 CD ARG B 90 21.764 4.529 8.091 1.00 0.00 C ATOM 1477 NE ARG B 90 21.194 3.646 9.117 1.00 0.00 N ATOM 1478 CZ ARG B 90 21.465 2.338 9.236 1.00 0.00 C ATOM 1479 NH1 ARG B 90 22.303 1.729 8.398 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 20.891 1.635 10.203 1.00 0.00 N ATOM 0 H ARG B 90 17.468 4.865 6.791 1.00 0.00 H new ATOM 0 HA ARG B 90 19.008 4.726 9.214 1.00 0.00 H new ATOM 0 HB2 ARG B 90 19.655 5.106 6.653 1.00 0.00 H new ATOM 0 HB3 ARG B 90 19.404 6.793 7.054 1.00 0.00 H new ATOM 0 HG2 ARG B 90 21.676 6.582 7.457 1.00 0.00 H new ATOM 0 HG3 ARG B 90 21.034 6.303 9.063 1.00 0.00 H new ATOM 0 HD2 ARG B 90 21.674 4.053 7.115 1.00 0.00 H new ATOM 0 HD3 ARG B 90 22.828 4.665 8.282 1.00 0.00 H new ATOM 0 HE ARG B 90 20.545 4.057 9.788 1.00 0.00 H new ATOM 0 HH11 ARG B 90 22.751 2.259 7.650 1.00 0.00 H new ATOM 0 HH12 ARG B 90 22.497 0.733 8.504 1.00 0.00 H new ATOM 0 HH21 ARG B 90 20.248 2.090 10.851 1.00 0.00 H new ATOM 0 HH22 ARG B 90 21.093 0.640 10.299 1.00 0.00 H new ATOM 1549 N GLU B 94 10.530 7.807 6.239 1.00 0.00 N ATOM 1550 CA GLU B 94 10.223 6.563 5.490 1.00 0.00 C ATOM 1551 C GLU B 94 10.079 6.847 3.971 1.00 0.00 C ATOM 1552 O GLU B 94 8.955 7.041 3.492 1.00 0.00 O ATOM 1553 CB GLU B 94 8.922 5.941 6.082 1.00 0.00 C ATOM 1554 CG GLU B 94 7.766 6.924 6.287 1.00 0.00 C ATOM 1555 CD GLU B 94 6.583 6.296 6.995 1.00 0.00 C ATOM 1556 OE1 GLU B 94 6.688 6.037 8.211 1.00 0.00 O ATOM 1557 OE2 GLU B 94 5.550 6.068 6.332 1.00 0.00 O1- ATOM 0 HA GLU B 94 11.044 5.854 5.597 1.00 0.00 H new ATOM 0 HB2 GLU B 94 8.586 5.142 5.420 1.00 0.00 H new ATOM 0 HB3 GLU B 94 9.162 5.481 7.041 1.00 0.00 H new ATOM 0 HG2 GLU B 94 8.119 7.778 6.865 1.00 0.00 H new ATOM 0 HG3 GLU B 94 7.443 7.306 5.319 1.00 0.00 H new ATOM 1564 N VAL B 95 11.206 6.912 3.201 1.00 0.00 N ATOM 1565 CA VAL B 95 11.038 7.334 1.786 1.00 0.00 C ATOM 1566 C VAL B 95 10.544 6.265 0.741 1.00 0.00 C ATOM 1567 O VAL B 95 9.328 6.185 0.531 1.00 0.00 O ATOM 1568 CB VAL B 95 12.386 7.967 1.307 1.00 0.00 C ATOM 1569 CG1 VAL B 95 12.294 8.494 -0.125 1.00 0.00 C ATOM 1570 CG2 VAL B 95 12.817 9.100 2.236 1.00 0.00 C ATOM 0 H VAL B 95 12.156 6.698 3.503 1.00 0.00 H new ATOM 0 HA VAL B 95 10.205 8.037 1.808 1.00 0.00 H new ATOM 0 HB VAL B 95 13.131 7.172 1.333 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.252 8.925 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.045 7.674 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL B 95 11.520 9.259 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.757 9.524 1.882 1.00 0.00 H new ATOM 0 HG22 VAL B 95 12.050 9.875 2.245 1.00 0.00 H new ATOM 0 HG23 VAL B 95 12.952 8.711 3.245 1.00 0.00 H new ATOM 1580 N PHE B 96 11.439 5.387 0.157 1.00 0.00 N ATOM 1581 CA PHE B 96 10.997 4.355 -0.807 1.00 0.00 C ATOM 1582 C PHE B 96 10.635 3.133 -0.078 1.00 0.00 C ATOM 1583 O PHE B 96 9.503 2.641 -0.087 1.00 0.00 O ATOM 1584 CB PHE B 96 11.985 4.018 -1.921 1.00 0.00 C ATOM 1585 CG PHE B 96 11.421 4.332 -3.281 1.00 0.00 C ATOM 1586 CD1 PHE B 96 11.526 5.604 -3.826 1.00 0.00 C ATOM 1587 CD2 PHE B 96 10.749 3.354 -3.999 1.00 0.00 C ATOM 1588 CE1 PHE B 96 10.973 5.891 -5.061 1.00 0.00 C ATOM 1589 CE2 PHE B 96 10.200 3.633 -5.235 1.00 0.00 C ATOM 1590 CZ PHE B 96 10.310 4.902 -5.766 1.00 0.00 C ATOM 0 H PHE B 96 12.442 5.388 0.344 1.00 0.00 H new ATOM 0 HA PHE B 96 10.140 4.791 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE B 96 12.907 4.579 -1.771 1.00 0.00 H new ATOM 0 HB3 PHE B 96 12.244 2.960 -1.870 1.00 0.00 H new ATOM 0 HD1 PHE B 96 12.045 6.378 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE B 96 10.654 2.361 -3.586 1.00 0.00 H new ATOM 0 HE1 PHE B 96 11.059 6.885 -5.474 1.00 0.00 H new ATOM 0 HE2 PHE B 96 9.685 2.859 -5.785 1.00 0.00 H new ATOM 0 HZ PHE B 96 9.879 5.123 -6.731 1.00 0.00 H new ATOM 1600 N TRP B 97 11.717 2.653 0.562 1.00 0.00 N ATOM 1601 CA TRP B 97 11.721 1.516 1.376 1.00 0.00 C ATOM 1602 C TRP B 97 10.691 1.801 2.449 1.00 0.00 C ATOM 1603 O TRP B 97 10.008 0.916 2.877 1.00 0.00 O ATOM 1604 CB TRP B 97 13.188 1.262 1.851 1.00 0.00 C ATOM 1605 CG TRP B 97 13.398 0.200 2.908 1.00 0.00 C ATOM 1606 CD1 TRP B 97 12.497 -0.700 3.369 1.00 0.00 C ATOM 1607 CD2 TRP B 97 14.604 -0.064 3.628 1.00 0.00 C ATOM 1608 NE1 TRP B 97 13.037 -1.461 4.360 1.00 0.00 N ATOM 1609 CE2 TRP B 97 14.330 -1.102 4.529 1.00 0.00 C ATOM 1610 CE3 TRP B 97 15.882 0.479 3.609 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 15.274 -1.601 5.396 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 16.829 -0.025 4.475 1.00 0.00 C ATOM 1613 CH2 TRP B 97 16.513 -1.058 5.359 1.00 0.00 C ATOM 0 H TRP B 97 12.633 3.098 0.495 1.00 0.00 H new ATOM 0 HA TRP B 97 11.436 0.580 0.896 1.00 0.00 H new ATOM 0 HB2 TRP B 97 13.784 0.993 0.979 1.00 0.00 H new ATOM 0 HB3 TRP B 97 13.587 2.202 2.232 1.00 0.00 H new ATOM 0 HD1 TRP B 97 11.487 -0.800 3.000 1.00 0.00 H new ATOM 0 HE1 TRP B 97 12.547 -2.183 4.888 1.00 0.00 H new ATOM 0 HE3 TRP B 97 16.129 1.281 2.929 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 15.035 -2.399 6.083 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 17.828 0.385 4.469 1.00 0.00 H new ATOM 0 HH2 TRP B 97 17.274 -1.432 6.028 1.00 0.00 H new ATOM 1624 N GLY B 98 10.612 3.070 2.878 1.00 0.00 N ATOM 1625 CA GLY B 98 9.644 3.487 3.880 1.00 0.00 C ATOM 1626 C GLY B 98 8.196 3.506 3.415 1.00 0.00 C ATOM 1627 O GLY B 98 7.541 2.463 3.413 1.00 0.00 O ATOM 0 H GLY B 98 11.214 3.821 2.539 1.00 0.00 H new ATOM 0 HA2 GLY B 98 9.724 2.820 4.739 1.00 0.00 H new ATOM 0 HA3 GLY B 98 9.911 4.486 4.226 1.00 0.00 H new ATOM 1631 N GLN B 99 7.712 4.701 3.003 1.00 0.00 N ATOM 1632 CA GLN B 99 6.308 4.925 2.570 1.00 0.00 C ATOM 1633 C GLN B 99 5.295 3.948 3.229 1.00 0.00 C ATOM 1634 O GLN B 99 4.535 3.243 2.554 1.00 0.00 O ATOM 1635 CB GLN B 99 6.233 4.886 1.041 1.00 0.00 C ATOM 1636 CG GLN B 99 6.290 6.259 0.385 1.00 0.00 C ATOM 1637 CD GLN B 99 4.927 6.911 0.264 1.00 0.00 C ATOM 1638 OE1 GLN B 99 4.242 6.752 -0.744 1.00 0.00 O ATOM 1639 NE2 GLN B 99 4.530 7.650 1.293 1.00 0.00 N ATOM 0 H GLN B 99 8.286 5.543 2.961 1.00 0.00 H new ATOM 0 HA GLN B 99 6.008 5.914 2.918 1.00 0.00 H new ATOM 0 HB2 GLN B 99 7.055 4.279 0.662 1.00 0.00 H new ATOM 0 HB3 GLN B 99 5.308 4.391 0.745 1.00 0.00 H new ATOM 0 HG2 GLN B 99 6.947 6.907 0.966 1.00 0.00 H new ATOM 0 HG3 GLN B 99 6.731 6.164 -0.607 1.00 0.00 H new ATOM 0 HE21 GLN B 99 5.133 7.753 2.109 1.00 0.00 H new ATOM 0 HE22 GLN B 99 3.622 8.114 1.267 1.00 0.00 H new ATOM 1648 N ASP B 100 5.316 3.936 4.580 1.00 0.00 N ATOM 1649 CA ASP B 100 4.449 3.089 5.446 1.00 0.00 C ATOM 1650 C ASP B 100 4.569 1.574 5.139 1.00 0.00 C ATOM 1651 O ASP B 100 5.416 0.892 5.722 1.00 0.00 O ATOM 1652 CB ASP B 100 2.976 3.556 5.399 1.00 0.00 C ATOM 1653 CG ASP B 100 2.798 4.984 5.889 1.00 0.00 C ATOM 1654 OD1 ASP B 100 2.820 5.199 7.120 1.00 0.00 O1- ATOM 1655 OD2 ASP B 100 2.642 5.888 5.040 1.00 0.00 O ATOM 0 H ASP B 100 5.950 4.528 5.117 1.00 0.00 H new ATOM 0 HA ASP B 100 4.817 3.223 6.463 1.00 0.00 H new ATOM 0 HB2 ASP B 100 2.607 3.478 4.376 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.368 2.888 6.009 1.00 0.00 H new ATOM 1660 N HIS B 101 3.718 1.066 4.230 1.00 0.00 N ATOM 1661 CA HIS B 101 3.699 -0.354 3.824 1.00 0.00 C ATOM 1662 C HIS B 101 4.906 -0.719 2.963 1.00 0.00 C ATOM 1663 O HIS B 101 5.447 -1.824 3.052 1.00 0.00 O ATOM 1664 CB HIS B 101 2.404 -0.706 3.099 1.00 0.00 C ATOM 1665 CG HIS B 101 1.729 -1.898 3.693 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.682 -3.126 3.071 1.00 0.00 N ATOM 1667 CD2 HIS B 101 1.101 -2.055 4.883 1.00 0.00 C ATOM 1668 CE1 HIS B 101 1.057 -3.987 3.853 1.00 0.00 C ATOM 1669 NE2 HIS B 101 0.698 -3.358 4.958 1.00 0.00 N ATOM 0 H HIS B 101 3.018 1.633 3.752 1.00 0.00 H new ATOM 0 HA HIS B 101 3.754 -0.943 4.740 1.00 0.00 H new ATOM 0 HB2 HIS B 101 1.727 0.147 3.134 1.00 0.00 H new ATOM 0 HB3 HIS B 101 2.619 -0.899 2.048 1.00 0.00 H new ATOM 0 HD2 HIS B 101 0.948 -1.293 5.632 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.871 -5.027 3.628 1.00 0.00 H new ATOM 0 HE2 HIS B 101 0.199 -3.778 5.742 1.00 0.00 H new ATOM 1678 N LYS B 102 5.294 0.244 2.131 1.00 0.00 N ATOM 1679 CA LYS B 102 6.410 0.149 1.185 1.00 0.00 C ATOM 1680 C LYS B 102 7.711 -0.427 1.792 1.00 0.00 C ATOM 1681 O LYS B 102 8.497 -1.055 1.081 1.00 0.00 O ATOM 1682 CB LYS B 102 6.675 1.508 0.533 1.00 0.00 C ATOM 1683 CG LYS B 102 5.763 1.785 -0.665 1.00 0.00 C ATOM 1684 CD LYS B 102 6.376 2.771 -1.652 1.00 0.00 C ATOM 1685 CE LYS B 102 5.562 2.846 -2.932 1.00 0.00 C ATOM 1686 NZ LYS B 102 5.530 4.225 -3.496 1.00 0.00 N1+ ATOM 0 H LYS B 102 4.823 1.148 2.093 1.00 0.00 H new ATOM 0 HA LYS B 102 6.097 -0.570 0.428 1.00 0.00 H new ATOM 0 HB2 LYS B 102 6.538 2.294 1.276 1.00 0.00 H new ATOM 0 HB3 LYS B 102 7.715 1.553 0.209 1.00 0.00 H new ATOM 0 HG2 LYS B 102 5.549 0.848 -1.179 1.00 0.00 H new ATOM 0 HG3 LYS B 102 4.811 2.178 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS B 102 6.432 3.759 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS B 102 7.397 2.469 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS B 102 5.983 2.163 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS B 102 4.544 2.512 -2.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 4.964 4.230 -4.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 5.104 4.874 -2.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 6.499 4.535 -3.710 1.00 0.00 H new ATOM 1700 N VAL B 103 7.935 -0.184 3.096 1.00 0.00 N ATOM 1701 CA VAL B 103 9.181 -0.571 3.813 1.00 0.00 C ATOM 1702 C VAL B 103 9.624 -2.008 3.499 1.00 0.00 C ATOM 1703 O VAL B 103 10.663 -2.207 2.875 1.00 0.00 O ATOM 1704 CB VAL B 103 9.047 -0.326 5.369 1.00 0.00 C ATOM 1705 CG1 VAL B 103 7.808 -0.996 5.971 1.00 0.00 C ATOM 1706 CG2 VAL B 103 10.304 -0.764 6.127 1.00 0.00 C ATOM 0 H VAL B 103 7.257 0.289 3.693 1.00 0.00 H new ATOM 0 HA VAL B 103 9.972 0.079 3.440 1.00 0.00 H new ATOM 0 HB VAL B 103 8.929 0.751 5.487 1.00 0.00 H new ATOM 0 HG11 VAL B 103 7.769 -0.793 7.041 1.00 0.00 H new ATOM 0 HG12 VAL B 103 6.912 -0.600 5.494 1.00 0.00 H new ATOM 0 HG13 VAL B 103 7.861 -2.072 5.807 1.00 0.00 H new ATOM 0 HG21 VAL B 103 10.170 -0.578 7.193 1.00 0.00 H new ATOM 0 HG22 VAL B 103 10.476 -1.828 5.963 1.00 0.00 H new ATOM 0 HG23 VAL B 103 11.163 -0.198 5.766 1.00 0.00 H new ATOM 1716 N ASP B 104 8.841 -2.981 3.856 1.00 0.00 N ATOM 1717 CA ASP B 104 9.162 -4.355 3.525 1.00 0.00 C ATOM 1718 C ASP B 104 8.979 -4.575 2.021 1.00 0.00 C ATOM 1719 O ASP B 104 9.644 -5.415 1.410 1.00 0.00 O ATOM 1720 CB ASP B 104 8.461 -5.383 4.405 1.00 0.00 C ATOM 1721 CG ASP B 104 6.936 -5.312 4.378 1.00 0.00 C ATOM 1722 OD1 ASP B 104 6.370 -4.422 5.047 1.00 0.00 O1- ATOM 1723 OD2 ASP B 104 6.309 -6.148 3.686 1.00 0.00 O ATOM 0 H ASP B 104 7.973 -2.859 4.377 1.00 0.00 H new ATOM 0 HA ASP B 104 10.213 -4.525 3.757 1.00 0.00 H new ATOM 0 HB2 ASP B 104 8.770 -6.380 4.092 1.00 0.00 H new ATOM 0 HB3 ASP B 104 8.799 -5.252 5.433 1.00 0.00 H new ATOM 1728 N PHE B 105 8.043 -3.785 1.459 1.00 0.00 N ATOM 1729 CA PHE B 105 7.614 -3.900 0.067 1.00 0.00 C ATOM 1730 C PHE B 105 8.773 -3.777 -0.891 1.00 0.00 C ATOM 1731 O PHE B 105 8.788 -4.510 -1.886 1.00 0.00 O ATOM 1732 CB PHE B 105 6.520 -2.855 -0.310 1.00 0.00 C ATOM 1733 CG PHE B 105 6.815 -2.130 -1.638 1.00 0.00 C ATOM 1734 CD1 PHE B 105 6.385 -2.656 -2.851 1.00 0.00 C ATOM 1735 CD2 PHE B 105 7.559 -0.947 -1.668 1.00 0.00 C ATOM 1736 CE1 PHE B 105 6.679 -2.022 -4.048 1.00 0.00 C ATOM 1737 CE2 PHE B 105 7.851 -0.314 -2.863 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.410 -0.852 -4.053 1.00 0.00 C ATOM 0 H PHE B 105 7.564 -3.044 1.971 1.00 0.00 H new ATOM 0 HA PHE B 105 7.182 -4.897 -0.024 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.555 -3.357 -0.382 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.437 -2.119 0.489 1.00 0.00 H new ATOM 0 HD1 PHE B 105 5.813 -3.572 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE B 105 7.912 -0.519 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE B 105 6.335 -2.445 -4.980 1.00 0.00 H new ATOM 0 HE2 PHE B 105 8.424 0.601 -2.863 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.636 -0.359 -4.987 1.00 0.00 H new ATOM 1748 N ILE B 106 9.742 -2.849 -0.641 1.00 0.00 N ATOM 1749 CA ILE B 106 10.815 -2.728 -1.619 1.00 0.00 C ATOM 1750 C ILE B 106 11.405 -4.087 -2.010 1.00 0.00 C ATOM 1751 O ILE B 106 11.582 -4.352 -3.197 1.00 0.00 O ATOM 1752 CB ILE B 106 11.968 -1.720 -1.311 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.553 -1.699 0.105 1.00 0.00 C ATOM 1754 CG2 ILE B 106 11.515 -0.316 -1.698 1.00 0.00 C ATOM 1755 CD1 ILE B 106 14.019 -1.347 0.070 1.00 0.00 C ATOM 0 H ILE B 106 9.789 -2.229 0.167 1.00 0.00 H new ATOM 0 HA ILE B 106 10.285 -2.282 -2.461 1.00 0.00 H new ATOM 0 HB ILE B 106 12.799 -2.088 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE B 106 12.014 -0.975 0.716 1.00 0.00 H new ATOM 0 HG13 ILE B 106 12.419 -2.674 0.574 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.314 0.395 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.278 -0.290 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE B 106 10.629 -0.048 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE B 106 14.415 -1.337 1.085 1.00 0.00 H new ATOM 0 HD12 ILE B 106 14.557 -2.087 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE B 106 14.146 -0.362 -0.378 1.00 0.00 H new ATOM 1767 N LEU B 107 11.658 -4.964 -1.057 1.00 0.00 N ATOM 1768 CA LEU B 107 12.202 -6.274 -1.397 1.00 0.00 C ATOM 1769 C LEU B 107 11.168 -7.237 -2.027 1.00 0.00 C ATOM 1770 O LEU B 107 11.484 -7.931 -2.998 1.00 0.00 O ATOM 1771 CB LEU B 107 12.915 -6.891 -0.187 1.00 0.00 C ATOM 1772 CG LEU B 107 12.294 -8.199 0.380 1.00 0.00 C ATOM 1773 CD1 LEU B 107 12.897 -9.445 -0.263 1.00 0.00 C ATOM 1774 CD2 LEU B 107 12.420 -8.266 1.890 1.00 0.00 C ATOM 0 H LEU B 107 11.502 -4.804 -0.062 1.00 0.00 H new ATOM 0 HA LEU B 107 12.939 -6.112 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU B 107 13.949 -7.095 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU B 107 12.940 -6.149 0.611 1.00 0.00 H new ATOM 0 HG LEU B 107 11.234 -8.176 0.127 1.00 0.00 H new ATOM 0 HD11 LEU B 107 12.434 -10.335 0.163 1.00 0.00 H new ATOM 0 HD12 LEU B 107 12.718 -9.422 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU B 107 13.970 -9.469 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU B 107 11.975 -9.193 2.251 1.00 0.00 H new ATOM 0 HD22 LEU B 107 13.473 -8.236 2.169 1.00 0.00 H new ATOM 0 HD23 LEU B 107 11.902 -7.417 2.336 1.00 0.00 H new ATOM 1786 N GLN B 108 9.948 -7.268 -1.473 1.00 0.00 N ATOM 1787 CA GLN B 108 8.889 -8.187 -1.940 1.00 0.00 C ATOM 1788 C GLN B 108 8.347 -7.850 -3.337 1.00 0.00 C ATOM 1789 O GLN B 108 7.851 -6.746 -3.580 1.00 0.00 O ATOM 1790 CB GLN B 108 7.740 -8.227 -0.927 1.00 0.00 C ATOM 1791 CG GLN B 108 8.064 -9.031 0.325 1.00 0.00 C ATOM 1792 CD GLN B 108 6.889 -9.135 1.276 1.00 0.00 C ATOM 1793 OE1 GLN B 108 6.715 -8.297 2.161 1.00 0.00 O ATOM 1794 NE2 GLN B 108 6.073 -10.169 1.099 1.00 0.00 N ATOM 0 H GLN B 108 9.665 -6.667 -0.699 1.00 0.00 H new ATOM 0 HA GLN B 108 9.354 -9.169 -2.021 1.00 0.00 H new ATOM 0 HB2 GLN B 108 7.484 -7.207 -0.639 1.00 0.00 H new ATOM 0 HB3 GLN B 108 6.858 -8.654 -1.406 1.00 0.00 H new ATOM 0 HG2 GLN B 108 8.381 -10.033 0.036 1.00 0.00 H new ATOM 0 HG3 GLN B 108 8.904 -8.567 0.842 1.00 0.00 H new ATOM 0 HE21 GLN B 108 6.255 -10.840 0.353 1.00 0.00 H new ATOM 0 HE22 GLN B 108 5.265 -10.291 1.709 1.00 0.00 H new ATOM 1803 N ARG B 109 8.457 -8.850 -4.247 1.00 0.00 N ATOM 1804 CA ARG B 109 7.991 -8.773 -5.659 1.00 0.00 C ATOM 1805 C ARG B 109 8.374 -7.453 -6.354 1.00 0.00 C ATOM 1806 O ARG B 109 7.535 -6.780 -6.969 1.00 0.00 O ATOM 1807 CB ARG B 109 6.472 -9.022 -5.744 1.00 0.00 C ATOM 1808 CG ARG B 109 6.085 -10.483 -5.564 1.00 0.00 C ATOM 1809 CD ARG B 109 4.628 -10.724 -5.926 1.00 0.00 C ATOM 1810 NE ARG B 109 4.253 -12.135 -5.786 1.00 0.00 N ATOM 1811 CZ ARG B 109 3.173 -12.698 -6.348 1.00 0.00 C ATOM 1812 NH1 ARG B 109 2.337 -11.985 -7.100 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 2.931 -13.987 -6.153 1.00 0.00 N ATOM 0 H ARG B 109 8.879 -9.750 -4.018 1.00 0.00 H new ATOM 0 HA ARG B 109 8.511 -9.563 -6.201 1.00 0.00 H new ATOM 0 HB2 ARG B 109 5.971 -8.425 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG B 109 6.108 -8.675 -6.711 1.00 0.00 H new ATOM 0 HG2 ARG B 109 6.724 -11.109 -6.187 1.00 0.00 H new ATOM 0 HG3 ARG B 109 6.258 -10.781 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG B 109 3.990 -10.114 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG B 109 4.451 -10.402 -6.952 1.00 0.00 H new ATOM 0 HE ARG B 109 4.857 -12.731 -5.220 1.00 0.00 H new ATOM 0 HH11 ARG B 109 2.513 -10.993 -7.257 1.00 0.00 H new ATOM 0 HH12 ARG B 109 1.521 -12.431 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.564 -14.544 -5.579 1.00 0.00 H new ATOM 0 HH22 ARG B 109 2.112 -14.422 -6.577 1.00 0.00 H new ATOM 1827 N GLU B 110 9.662 -7.100 -6.253 1.00 0.00 N ATOM 1828 CA GLU B 110 10.191 -5.868 -6.853 1.00 0.00 C ATOM 1829 C GLU B 110 11.634 -6.067 -7.358 1.00 0.00 C ATOM 1830 O GLU B 110 12.281 -7.045 -6.967 1.00 0.00 O ATOM 1831 CB GLU B 110 10.147 -4.725 -5.824 1.00 0.00 C ATOM 1832 CG GLU B 110 8.752 -4.167 -5.568 1.00 0.00 C ATOM 1833 CD GLU B 110 8.212 -3.337 -6.724 1.00 0.00 C ATOM 1834 OE1 GLU B 110 7.714 -3.934 -7.702 1.00 0.00 O ATOM 1835 OE2 GLU B 110 8.286 -2.092 -6.647 1.00 0.00 O1- ATOM 0 H GLU B 110 10.361 -7.654 -5.758 1.00 0.00 H new ATOM 0 HA GLU B 110 9.566 -5.611 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU B 110 10.561 -5.084 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU B 110 10.792 -3.916 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU B 110 8.068 -4.993 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU B 110 8.774 -3.552 -4.668 1.00 0.00 H new ATOM 1842 N PRO B 111 12.180 -5.151 -8.243 1.00 0.00 N ATOM 1843 CA PRO B 111 13.570 -5.259 -8.766 1.00 0.00 C ATOM 1844 C PRO B 111 14.638 -5.391 -7.664 1.00 0.00 C ATOM 1845 O PRO B 111 14.312 -5.403 -6.474 1.00 0.00 O ATOM 1846 CB PRO B 111 13.755 -3.950 -9.547 1.00 0.00 C ATOM 1847 CG PRO B 111 12.384 -3.574 -9.972 1.00 0.00 C ATOM 1848 CD PRO B 111 11.490 -3.967 -8.833 1.00 0.00 C ATOM 0 HA PRO B 111 13.698 -6.160 -9.365 1.00 0.00 H new ATOM 0 HB2 PRO B 111 14.204 -3.176 -8.924 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.412 -4.089 -10.405 1.00 0.00 H new ATOM 0 HG2 PRO B 111 12.315 -2.505 -10.174 1.00 0.00 H new ATOM 0 HG3 PRO B 111 12.102 -4.091 -10.889 1.00 0.00 H new ATOM 0 HD2 PRO B 111 11.386 -3.160 -8.108 1.00 0.00 H new ATOM 0 HD3 PRO B 111 10.487 -4.217 -9.178 1.00 0.00 H new ATOM 1856 N TYR B 112 15.917 -5.476 -8.074 1.00 0.00 N ATOM 1857 CA TYR B 112 17.039 -5.638 -7.138 1.00 0.00 C ATOM 1858 C TYR B 112 17.241 -4.425 -6.210 1.00 0.00 C ATOM 1859 O TYR B 112 17.527 -4.607 -5.029 1.00 0.00 O ATOM 1860 CB TYR B 112 18.337 -6.015 -7.893 1.00 0.00 C ATOM 1861 CG TYR B 112 18.965 -4.939 -8.776 1.00 0.00 C ATOM 1862 CD1 TYR B 112 18.288 -4.392 -9.865 1.00 0.00 C ATOM 1863 CD2 TYR B 112 20.259 -4.494 -8.524 1.00 0.00 C ATOM 1864 CE1 TYR B 112 18.883 -3.433 -10.667 1.00 0.00 C ATOM 1865 CE2 TYR B 112 20.858 -3.541 -9.324 1.00 0.00 C ATOM 1866 CZ TYR B 112 20.167 -3.015 -10.392 1.00 0.00 C ATOM 1867 OH TYR B 112 20.763 -2.065 -11.190 1.00 0.00 O ATOM 0 H TYR B 112 16.198 -5.435 -9.054 1.00 0.00 H new ATOM 0 HA TYR B 112 16.778 -6.465 -6.478 1.00 0.00 H new ATOM 0 HB2 TYR B 112 19.079 -6.324 -7.157 1.00 0.00 H new ATOM 0 HB3 TYR B 112 18.126 -6.884 -8.517 1.00 0.00 H new ATOM 0 HD1 TYR B 112 17.284 -4.721 -10.087 1.00 0.00 H new ATOM 0 HD2 TYR B 112 20.806 -4.902 -7.687 1.00 0.00 H new ATOM 0 HE1 TYR B 112 18.344 -3.015 -11.504 1.00 0.00 H new ATOM 0 HE2 TYR B 112 21.864 -3.210 -9.113 1.00 0.00 H new ATOM 0 HH TYR B 112 21.667 -1.881 -10.860 1.00 0.00 H new ATOM 1877 N CYS B 113 17.096 -3.202 -6.752 1.00 0.00 N ATOM 1878 CA CYS B 113 17.268 -1.946 -5.981 1.00 0.00 C ATOM 1879 C CYS B 113 16.392 -1.889 -4.710 1.00 0.00 C ATOM 1880 O CYS B 113 16.885 -1.586 -3.607 1.00 0.00 O ATOM 1881 CB CYS B 113 16.944 -0.742 -6.870 1.00 0.00 C ATOM 1882 SG CYS B 113 15.288 -0.781 -7.594 1.00 0.00 S ATOM 0 H CYS B 113 16.857 -3.051 -7.732 1.00 0.00 H new ATOM 0 HA CYS B 113 18.309 -1.919 -5.658 1.00 0.00 H new ATOM 0 HB2 CYS B 113 17.050 0.169 -6.281 1.00 0.00 H new ATOM 0 HB3 CYS B 113 17.679 -0.689 -7.673 1.00 0.00 H new ATOM 0 HG CYS B 113 15.109 0.279 -8.325 1.00 0.00 H new ATOM 1888 N ARG B 114 15.104 -2.233 -4.862 1.00 0.00 N ATOM 1889 CA ARG B 114 14.149 -2.200 -3.769 1.00 0.00 C ATOM 1890 C ARG B 114 14.454 -3.390 -2.858 1.00 0.00 C ATOM 1891 O ARG B 114 14.457 -3.303 -1.633 1.00 0.00 O ATOM 1892 CB ARG B 114 12.700 -2.215 -4.327 1.00 0.00 C ATOM 1893 CG ARG B 114 12.335 -0.978 -5.151 1.00 0.00 C ATOM 1894 CD ARG B 114 10.837 -0.886 -5.440 1.00 0.00 C ATOM 1895 NE ARG B 114 10.497 0.339 -6.177 1.00 0.00 N ATOM 1896 CZ ARG B 114 10.166 0.382 -7.477 1.00 0.00 C ATOM 1897 NH1 ARG B 114 10.121 -0.726 -8.215 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 9.878 1.547 -8.041 1.00 0.00 N ATOM 0 H ARG B 114 14.706 -2.540 -5.749 1.00 0.00 H new ATOM 0 HA ARG B 114 14.235 -1.284 -3.185 1.00 0.00 H new ATOM 0 HB2 ARG B 114 12.570 -3.102 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG B 114 12.002 -2.302 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG B 114 12.654 -0.083 -4.617 1.00 0.00 H new ATOM 0 HG3 ARG B 114 12.883 -0.999 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG B 114 10.524 -1.756 -6.017 1.00 0.00 H new ATOM 0 HD3 ARG B 114 10.284 -0.911 -4.501 1.00 0.00 H new ATOM 0 HE ARG B 114 10.514 1.220 -5.664 1.00 0.00 H new ATOM 0 HH11 ARG B 114 10.340 -1.629 -7.794 1.00 0.00 H new ATOM 0 HH12 ARG B 114 9.867 -0.672 -9.201 1.00 0.00 H new ATOM 0 HH21 ARG B 114 9.909 2.403 -7.487 1.00 0.00 H new ATOM 0 HH22 ARG B 114 9.626 1.587 -9.028 1.00 0.00 H new ATOM 1912 N ASP B 115 14.753 -4.500 -3.520 1.00 0.00 N ATOM 1913 CA ASP B 115 15.120 -5.757 -2.888 1.00 0.00 C ATOM 1914 C ASP B 115 16.352 -5.628 -1.987 1.00 0.00 C ATOM 1915 O ASP B 115 16.403 -6.218 -0.923 1.00 0.00 O ATOM 1916 CB ASP B 115 15.373 -6.822 -3.962 1.00 0.00 C ATOM 1917 CG ASP B 115 15.075 -8.231 -3.478 1.00 0.00 C ATOM 1918 OD1 ASP B 115 15.991 -8.874 -2.925 1.00 0.00 O1- ATOM 1919 OD2 ASP B 115 13.927 -8.690 -3.655 1.00 0.00 O ATOM 0 H ASP B 115 14.746 -4.551 -4.539 1.00 0.00 H new ATOM 0 HA ASP B 115 14.286 -6.053 -2.252 1.00 0.00 H new ATOM 0 HB2 ASP B 115 14.757 -6.605 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP B 115 16.413 -6.766 -4.284 1.00 0.00 H new ATOM 1924 N ILE B 116 17.320 -4.815 -2.408 1.00 0.00 N ATOM 1925 CA ILE B 116 18.613 -4.748 -1.702 1.00 0.00 C ATOM 1926 C ILE B 116 18.555 -3.979 -0.399 1.00 0.00 C ATOM 1927 O ILE B 116 19.146 -4.395 0.592 1.00 0.00 O ATOM 1928 CB ILE B 116 19.799 -4.247 -2.579 1.00 0.00 C ATOM 1929 CG1 ILE B 116 19.443 -2.994 -3.395 1.00 0.00 C ATOM 1930 CG2 ILE B 116 20.259 -5.377 -3.497 1.00 0.00 C ATOM 1931 CD1 ILE B 116 20.637 -2.144 -3.789 1.00 0.00 C ATOM 0 H ILE B 116 17.244 -4.201 -3.219 1.00 0.00 H new ATOM 0 HA ILE B 116 18.818 -5.791 -1.461 1.00 0.00 H new ATOM 0 HB ILE B 116 20.611 -3.958 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE B 116 18.917 -3.301 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE B 116 18.752 -2.382 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE B 116 21.089 -5.031 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE B 116 20.583 -6.226 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE B 116 19.433 -5.683 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE B 116 20.296 -1.281 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE B 116 21.153 -1.803 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE B 116 21.320 -2.736 -4.397 1.00 0.00 H new ATOM 1943 N ASN B 117 17.842 -2.859 -0.396 1.00 0.00 N ATOM 1944 CA ASN B 117 17.762 -2.039 0.809 1.00 0.00 C ATOM 1945 C ASN B 117 16.929 -2.685 1.934 1.00 0.00 C ATOM 1946 O ASN B 117 17.394 -2.745 3.057 1.00 0.00 O ATOM 1947 CB ASN B 117 17.273 -0.647 0.464 1.00 0.00 C ATOM 1948 CG ASN B 117 18.260 0.093 -0.424 1.00 0.00 C ATOM 1949 OD1 ASN B 117 19.199 0.724 0.061 1.00 0.00 O ATOM 1950 ND2 ASN B 117 18.041 0.022 -1.735 1.00 0.00 N ATOM 0 H ASN B 117 17.320 -2.502 -1.196 1.00 0.00 H new ATOM 0 HA ASN B 117 18.771 -1.961 1.213 1.00 0.00 H new ATOM 0 HB2 ASN B 117 16.309 -0.715 -0.041 1.00 0.00 H new ATOM 0 HB3 ASN B 117 17.113 -0.080 1.381 1.00 0.00 H new ATOM 0 HD21 ASN B 117 18.665 0.503 -2.383 1.00 0.00 H new ATOM 0 HD22 ASN B 117 17.249 -0.513 -2.092 1.00 0.00 H new ATOM 1957 N GLN B 118 15.704 -3.155 1.665 1.00 0.00 N ATOM 1958 CA GLN B 118 14.900 -3.808 2.721 1.00 0.00 C ATOM 1959 C GLN B 118 15.426 -5.212 3.022 1.00 0.00 C ATOM 1960 O GLN B 118 15.742 -5.535 4.163 1.00 0.00 O ATOM 1961 CB GLN B 118 13.407 -3.839 2.356 1.00 0.00 C ATOM 1962 CG GLN B 118 12.612 -5.006 2.946 1.00 0.00 C ATOM 1963 CD GLN B 118 12.181 -4.790 4.388 1.00 0.00 C ATOM 1964 OE1 GLN B 118 11.749 -3.704 4.776 1.00 0.00 O ATOM 1965 NE2 GLN B 118 12.322 -5.825 5.201 1.00 0.00 N ATOM 0 H GLN B 118 15.252 -3.101 0.752 1.00 0.00 H new ATOM 0 HA GLN B 118 15.001 -3.211 3.627 1.00 0.00 H new ATOM 0 HB2 GLN B 118 12.950 -2.906 2.686 1.00 0.00 H new ATOM 0 HB3 GLN B 118 13.316 -3.872 1.270 1.00 0.00 H new ATOM 0 HG2 GLN B 118 11.726 -5.176 2.334 1.00 0.00 H new ATOM 0 HG3 GLN B 118 13.217 -5.911 2.889 1.00 0.00 H new ATOM 0 HE21 GLN B 118 12.683 -6.709 4.843 1.00 0.00 H new ATOM 0 HE22 GLN B 118 12.069 -5.738 6.185 1.00 0.00 H new ATOM 1974 N LEU B 119 15.498 -6.041 1.975 1.00 0.00 N ATOM 1975 CA LEU B 119 15.974 -7.417 2.085 1.00 0.00 C ATOM 1976 C LEU B 119 17.344 -7.464 2.761 1.00 0.00 C ATOM 1977 O LEU B 119 17.475 -8.014 3.857 1.00 0.00 O ATOM 1978 CB LEU B 119 15.967 -8.051 0.680 1.00 0.00 C ATOM 1979 CG LEU B 119 16.965 -9.192 0.411 1.00 0.00 C ATOM 1980 CD1 LEU B 119 16.272 -10.370 -0.254 1.00 0.00 C ATOM 1981 CD2 LEU B 119 18.119 -8.702 -0.451 1.00 0.00 C ATOM 0 H LEU B 119 15.227 -5.773 1.029 1.00 0.00 H new ATOM 0 HA LEU B 119 15.312 -8.003 2.722 1.00 0.00 H new ATOM 0 HB2 LEU B 119 14.963 -8.429 0.487 1.00 0.00 H new ATOM 0 HB3 LEU B 119 16.155 -7.261 -0.047 1.00 0.00 H new ATOM 0 HG LEU B 119 17.364 -9.525 1.369 1.00 0.00 H new ATOM 0 HD11 LEU B 119 16.997 -11.164 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU B 119 15.481 -10.742 0.397 1.00 0.00 H new ATOM 0 HD13 LEU B 119 15.841 -10.050 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU B 119 18.814 -9.523 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU B 119 17.733 -8.339 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU B 119 18.638 -7.893 0.062 1.00 0.00 H new ATOM 1993 N SER B 120 18.343 -6.838 2.135 1.00 0.00 N ATOM 1994 CA SER B 120 19.684 -6.812 2.694 1.00 0.00 C ATOM 1995 C SER B 120 19.775 -5.888 3.910 1.00 0.00 C ATOM 1996 O SER B 120 20.353 -6.289 4.923 1.00 0.00 O ATOM 1997 CB SER B 120 20.722 -6.416 1.643 1.00 0.00 C ATOM 1998 OG SER B 120 20.743 -7.342 0.571 1.00 0.00 O ATOM 0 H SER B 120 18.244 -6.347 1.247 1.00 0.00 H new ATOM 0 HA SER B 120 19.906 -7.826 3.027 1.00 0.00 H new ATOM 0 HB2 SER B 120 20.497 -5.420 1.262 1.00 0.00 H new ATOM 0 HB3 SER B 120 21.709 -6.366 2.103 1.00 0.00 H new ATOM 0 HG SER B 120 21.414 -7.065 -0.088 1.00 0.00 H new ATOM 2004 N GLU B 121 19.213 -4.653 3.834 1.00 0.00 N ATOM 2005 CA GLU B 121 19.328 -3.742 4.983 1.00 0.00 C ATOM 2006 C GLU B 121 18.367 -4.078 6.146 1.00 0.00 C ATOM 2007 O GLU B 121 18.864 -4.315 7.252 1.00 0.00 O ATOM 2008 CB GLU B 121 19.311 -2.265 4.579 1.00 0.00 C ATOM 2009 CG GLU B 121 20.600 -1.781 3.914 1.00 0.00 C ATOM 2010 CD GLU B 121 20.719 -2.183 2.454 1.00 0.00 C ATOM 2011 OE1 GLU B 121 20.991 -3.371 2.184 1.00 0.00 O ATOM 2012 OE2 GLU B 121 20.552 -1.303 1.582 1.00 0.00 O1- ATOM 0 H GLU B 121 18.703 -4.287 3.030 1.00 0.00 H new ATOM 0 HA GLU B 121 20.322 -3.921 5.392 1.00 0.00 H new ATOM 0 HB2 GLU B 121 18.478 -2.096 3.896 1.00 0.00 H new ATOM 0 HB3 GLU B 121 19.124 -1.660 5.466 1.00 0.00 H new ATOM 0 HG2 GLU B 121 20.652 -0.695 3.988 1.00 0.00 H new ATOM 0 HG3 GLU B 121 21.454 -2.179 4.463 1.00 0.00 H new ATOM 2019 N ALA B 122 17.000 -4.094 5.949 1.00 0.00 N ATOM 2020 CA ALA B 122 16.089 -4.448 7.078 1.00 0.00 C ATOM 2021 C ALA B 122 16.449 -5.772 7.786 1.00 0.00 C ATOM 2022 O ALA B 122 16.408 -5.835 9.016 1.00 0.00 O ATOM 2023 CB ALA B 122 14.639 -4.542 6.631 1.00 0.00 C ATOM 0 H ALA B 122 16.536 -3.877 5.067 1.00 0.00 H new ATOM 0 HA ALA B 122 16.221 -3.631 7.787 1.00 0.00 H new ATOM 0 HB1 ALA B 122 14.012 -4.802 7.484 1.00 0.00 H new ATOM 0 HB2 ALA B 122 14.320 -3.582 6.225 1.00 0.00 H new ATOM 0 HB3 ALA B 122 14.544 -5.310 5.863 1.00 0.00 H new ATOM 2029 N LEU B 123 16.814 -6.818 7.015 1.00 0.00 N ATOM 2030 CA LEU B 123 17.144 -8.136 7.596 1.00 0.00 C ATOM 2031 C LEU B 123 18.458 -8.122 8.392 1.00 0.00 C ATOM 2032 O LEU B 123 18.536 -8.724 9.466 1.00 0.00 O ATOM 2033 CB LEU B 123 17.205 -9.207 6.497 1.00 0.00 C ATOM 2034 CG LEU B 123 16.924 -10.649 6.950 1.00 0.00 C ATOM 2035 CD1 LEU B 123 15.428 -10.940 6.949 1.00 0.00 C ATOM 2036 CD2 LEU B 123 17.660 -11.638 6.058 1.00 0.00 C ATOM 0 H LEU B 123 16.887 -6.777 5.998 1.00 0.00 H new ATOM 0 HA LEU B 123 16.346 -8.378 8.298 1.00 0.00 H new ATOM 0 HB2 LEU B 123 16.487 -8.944 5.720 1.00 0.00 H new ATOM 0 HB3 LEU B 123 18.194 -9.176 6.041 1.00 0.00 H new ATOM 0 HG LEU B 123 17.289 -10.761 7.971 1.00 0.00 H new ATOM 0 HD11 LEU B 123 15.257 -11.966 7.273 1.00 0.00 H new ATOM 0 HD12 LEU B 123 14.924 -10.255 7.631 1.00 0.00 H new ATOM 0 HD13 LEU B 123 15.032 -10.807 5.942 1.00 0.00 H new ATOM 0 HD21 LEU B 123 17.451 -12.654 6.392 1.00 0.00 H new ATOM 0 HD22 LEU B 123 17.325 -11.518 5.028 1.00 0.00 H new ATOM 0 HD23 LEU B 123 18.732 -11.451 6.115 1.00 0.00 H new ATOM 2048 N LEU B 124 19.479 -7.437 7.859 1.00 0.00 N ATOM 2049 CA LEU B 124 20.797 -7.355 8.509 1.00 0.00 C ATOM 2050 C LEU B 124 20.772 -6.467 9.765 1.00 0.00 C ATOM 2051 O LEU B 124 21.376 -6.811 10.783 1.00 0.00 O ATOM 2052 CB LEU B 124 21.845 -6.830 7.514 1.00 0.00 C ATOM 2053 CG LEU B 124 23.302 -7.225 7.807 1.00 0.00 C ATOM 2054 CD1 LEU B 124 23.625 -8.593 7.217 1.00 0.00 C ATOM 2055 CD2 LEU B 124 24.255 -6.172 7.263 1.00 0.00 C ATOM 0 H LEU B 124 19.418 -6.930 6.976 1.00 0.00 H new ATOM 0 HA LEU B 124 21.066 -8.362 8.827 1.00 0.00 H new ATOM 0 HB2 LEU B 124 21.584 -7.188 6.518 1.00 0.00 H new ATOM 0 HB3 LEU B 124 21.781 -5.742 7.488 1.00 0.00 H new ATOM 0 HG LEU B 124 23.428 -7.285 8.888 1.00 0.00 H new ATOM 0 HD11 LEU B 124 24.661 -8.849 7.438 1.00 0.00 H new ATOM 0 HD12 LEU B 124 22.965 -9.343 7.653 1.00 0.00 H new ATOM 0 HD13 LEU B 124 23.480 -8.567 6.137 1.00 0.00 H new ATOM 0 HD21 LEU B 124 25.283 -6.465 7.478 1.00 0.00 H new ATOM 0 HD22 LEU B 124 24.121 -6.082 6.185 1.00 0.00 H new ATOM 0 HD23 LEU B 124 24.045 -5.212 7.736 1.00 0.00 H new ATOM 2067 N SER B 125 20.067 -5.328 9.678 1.00 0.00 N ATOM 2068 CA SER B 125 19.964 -4.372 10.789 1.00 0.00 C ATOM 2069 C SER B 125 19.072 -4.879 11.934 1.00 0.00 C ATOM 2070 O SER B 125 19.434 -4.744 13.107 1.00 0.00 O ATOM 2071 CB SER B 125 19.438 -3.029 10.277 1.00 0.00 C ATOM 2072 OG SER B 125 20.302 -2.484 9.294 1.00 0.00 O ATOM 0 H SER B 125 19.556 -5.046 8.841 1.00 0.00 H new ATOM 0 HA SER B 125 20.968 -4.251 11.196 1.00 0.00 H new ATOM 0 HB2 SER B 125 18.441 -3.162 9.856 1.00 0.00 H new ATOM 0 HB3 SER B 125 19.342 -2.331 11.109 1.00 0.00 H new ATOM 0 HG SER B 125 20.103 -2.888 8.423 1.00 0.00 H new ATOM 2078 N LEU B 126 17.911 -5.460 11.587 1.00 0.00 N ATOM 2079 CA LEU B 126 16.954 -5.971 12.582 1.00 0.00 C ATOM 2080 C LEU B 126 17.433 -7.259 13.266 1.00 0.00 C ATOM 2081 O LEU B 126 17.407 -7.352 14.497 1.00 0.00 O ATOM 2082 CB LEU B 126 15.575 -6.198 11.938 1.00 0.00 C ATOM 2083 CG LEU B 126 14.798 -4.926 11.564 1.00 0.00 C ATOM 2084 CD1 LEU B 126 13.792 -5.226 10.464 1.00 0.00 C ATOM 2085 CD2 LEU B 126 14.086 -4.343 12.781 1.00 0.00 C ATOM 0 H LEU B 126 17.612 -5.588 10.620 1.00 0.00 H new ATOM 0 HA LEU B 126 16.875 -5.208 13.356 1.00 0.00 H new ATOM 0 HB2 LEU B 126 15.709 -6.798 11.038 1.00 0.00 H new ATOM 0 HB3 LEU B 126 14.966 -6.785 12.625 1.00 0.00 H new ATOM 0 HG LEU B 126 15.513 -4.188 11.199 1.00 0.00 H new ATOM 0 HD11 LEU B 126 13.249 -4.316 10.209 1.00 0.00 H new ATOM 0 HD12 LEU B 126 14.316 -5.595 9.582 1.00 0.00 H new ATOM 0 HD13 LEU B 126 13.089 -5.983 10.811 1.00 0.00 H new ATOM 0 HD21 LEU B 126 13.544 -3.444 12.489 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.385 -5.077 13.178 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.820 -4.092 13.546 1.00 0.00 H new ATOM 2097 N ASN B 127 17.868 -8.248 12.465 1.00 0.00 N ATOM 2098 CA ASN B 127 18.339 -9.541 12.994 1.00 0.00 C ATOM 2099 C ASN B 127 19.711 -9.424 13.678 1.00 0.00 C ATOM 2100 O ASN B 127 19.828 -9.682 14.880 1.00 0.00 O ATOM 2101 CB ASN B 127 18.380 -10.596 11.878 1.00 0.00 C ATOM 2102 CG ASN B 127 16.995 -11.014 11.421 1.00 0.00 C ATOM 2103 OD1 ASN B 127 16.409 -11.957 11.955 1.00 0.00 O ATOM 2104 ND2 ASN B 127 16.463 -10.314 10.426 1.00 0.00 N ATOM 0 H ASN B 127 17.903 -8.177 11.448 1.00 0.00 H new ATOM 0 HA ASN B 127 17.626 -9.858 13.755 1.00 0.00 H new ATOM 0 HB2 ASN B 127 18.935 -10.199 11.028 1.00 0.00 H new ATOM 0 HB3 ASN B 127 18.922 -11.473 12.231 1.00 0.00 H new ATOM 0 HD21 ASN B 127 15.535 -10.550 10.076 1.00 0.00 H new ATOM 0 HD22 ASN B 127 16.983 -9.540 10.012 1.00 0.00 H new ATOM 2111 N PHE B 128 20.742 -9.036 12.906 1.00 0.00 N ATOM 2112 CA PHE B 128 22.108 -8.880 13.428 1.00 0.00 C ATOM 2113 C PHE B 128 22.243 -7.631 14.308 1.00 0.00 C ATOM 2114 O PHE B 128 22.025 -6.513 13.793 1.00 0.00 O ATOM 2115 CB PHE B 128 23.119 -8.836 12.275 1.00 0.00 C ATOM 2116 CG PHE B 128 23.366 -10.176 11.638 1.00 0.00 C ATOM 2117 CD1 PHE B 128 22.556 -10.632 10.608 1.00 0.00 C ATOM 2118 CD2 PHE B 128 24.410 -10.980 12.069 1.00 0.00 C ATOM 2119 CE1 PHE B 128 22.784 -11.864 10.022 1.00 0.00 C ATOM 2120 CE2 PHE B 128 24.642 -12.211 11.486 1.00 0.00 C ATOM 2121 CZ PHE B 128 23.828 -12.654 10.461 1.00 0.00 C ATOM 2122 OXT PHE B 128 22.566 -7.787 15.505 1.00 0.00 O1- ATOM 0 H PHE B 128 20.652 -8.824 11.912 1.00 0.00 H new ATOM 0 HA PHE B 128 22.322 -9.746 14.054 1.00 0.00 H new ATOM 0 HB2 PHE B 128 22.760 -8.142 11.515 1.00 0.00 H new ATOM 0 HB3 PHE B 128 24.064 -8.440 12.647 1.00 0.00 H new ATOM 0 HD1 PHE B 128 21.738 -10.018 10.260 1.00 0.00 H new ATOM 0 HD2 PHE B 128 25.050 -10.640 12.870 1.00 0.00 H new ATOM 0 HE1 PHE B 128 22.146 -12.208 9.221 1.00 0.00 H new ATOM 0 HE2 PHE B 128 25.459 -12.827 11.831 1.00 0.00 H new ATOM 0 HZ PHE B 128 24.008 -13.616 10.004 1.00 0.00 H new