USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 HIS : no HD1:sc= -2.2 K(o=-3.2,f=0.88) USER MOD Set 1.2: B 13 SER OG : rot 161:sc= -0.974 USER MOD Set 2.1: A 62 ASN : amide:sc= -0.795 K(o=-1.5,f=-0.056) USER MOD Set 2.2: A 86 HIS : no HD1:sc= -0.734 K(o=-1.5,f=-0.056) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.606 K(o=0.61,f=-6.3!) USER MOD Single : A 16 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.9!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.411 K(o=0.41,f=-5.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 148:sc= 1.3 USER MOD Single : A 32 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.033) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.0024) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= -0.0843 (180deg=-0.49) USER MOD Single : A 73 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 77 THR OG1 : rot -78:sc= 1.03 USER MOD Single : A 80 ASN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 83 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc=-0.00736 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 PHE N :NH3+ 161:sc= 0.109 (180deg=0.0251) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -0.0186 K(o=-0.019,f=-0.56) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.209 9.423 -18.084 1.00 0.00 N ATOM 2 CA PRO A 1 -10.734 8.978 -16.750 1.00 0.00 C ATOM 3 C PRO A 1 -11.859 8.944 -15.773 1.00 0.00 C ATOM 4 O PRO A 1 -12.691 9.850 -15.772 1.00 0.00 O ATOM 5 CB PRO A 1 -9.664 10.020 -16.427 1.00 0.00 C ATOM 6 CG PRO A 1 -8.928 10.153 -17.769 1.00 0.00 C ATOM 7 CD PRO A 1 -10.048 10.034 -18.815 1.00 0.00 C ATOM 0 H2 PRO A 1 -11.964 10.102 -17.985 1.00 0.00 H new ATOM 0 H3 PRO A 1 -11.585 8.634 -18.609 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.338 7.963 -16.716 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.100 10.966 -16.106 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -9.000 9.688 -15.629 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -8.408 11.108 -17.847 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -8.179 9.371 -17.894 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.310 11.010 -19.224 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -9.739 9.410 -19.653 1.00 0.00 H new ATOM 17 N LYS A 2 -11.921 7.899 -14.929 1.00 0.00 N ATOM 18 CA LYS A 2 -12.956 7.677 -13.967 1.00 0.00 C ATOM 19 C LYS A 2 -12.651 8.342 -12.669 1.00 0.00 C ATOM 20 O LYS A 2 -11.556 8.882 -12.520 1.00 0.00 O ATOM 21 CB LYS A 2 -13.153 6.159 -13.817 1.00 0.00 C ATOM 22 CG LYS A 2 -11.868 5.376 -13.541 1.00 0.00 C ATOM 23 CD LYS A 2 -12.071 3.877 -13.308 1.00 0.00 C ATOM 24 CE LYS A 2 -12.607 3.069 -14.490 1.00 0.00 C ATOM 25 NZ LYS A 2 -11.713 3.131 -15.668 1.00 0.00 N ATOM 0 H LYS A 2 -11.209 7.168 -14.917 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.888 8.126 -14.312 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.857 5.975 -13.005 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.610 5.773 -14.728 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.189 5.510 -14.383 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.379 5.803 -12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.116 3.447 -13.005 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.757 3.752 -12.470 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.734 2.029 -14.188 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.593 3.444 -14.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.119 2.568 -16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.611 4.119 -15.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.779 2.749 -15.416 1.00 0.00 H new ATOM 39 N PRO A 3 -13.504 8.392 -11.689 1.00 0.00 N ATOM 40 CA PRO A 3 -13.174 8.959 -10.414 1.00 0.00 C ATOM 41 C PRO A 3 -12.144 8.216 -9.636 1.00 0.00 C ATOM 42 O PRO A 3 -11.283 8.840 -9.018 1.00 0.00 O ATOM 43 CB PRO A 3 -14.495 9.004 -9.650 1.00 0.00 C ATOM 44 CG PRO A 3 -15.544 9.177 -10.759 1.00 0.00 C ATOM 45 CD PRO A 3 -14.944 8.334 -11.895 1.00 0.00 C ATOM 0 HA PRO A 3 -12.717 9.937 -10.565 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -14.660 8.090 -9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.521 9.831 -8.941 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.525 8.813 -10.454 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -15.667 10.221 -11.046 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.307 7.307 -11.858 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.219 8.734 -12.871 1.00 0.00 H new ATOM 53 N GLY A 4 -12.190 6.872 -9.612 1.00 0.00 N ATOM 54 CA GLY A 4 -11.190 6.045 -9.009 1.00 0.00 C ATOM 55 C GLY A 4 -10.268 5.466 -10.027 1.00 0.00 C ATOM 56 O GLY A 4 -10.208 4.252 -10.214 1.00 0.00 O ATOM 0 H GLY A 4 -12.954 6.340 -10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.617 6.631 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.670 5.240 -8.453 1.00 0.00 H new ATOM 60 N ASP A 5 -9.534 6.331 -10.750 1.00 0.00 N ATOM 61 CA ASP A 5 -8.607 5.935 -11.764 1.00 0.00 C ATOM 62 C ASP A 5 -7.282 5.548 -11.205 1.00 0.00 C ATOM 63 O ASP A 5 -6.962 5.788 -10.042 1.00 0.00 O ATOM 64 CB ASP A 5 -8.510 7.047 -12.823 1.00 0.00 C ATOM 65 CG ASP A 5 -8.132 6.548 -14.210 1.00 0.00 C ATOM 66 OD1 ASP A 5 -7.840 5.334 -14.372 1.00 0.00 O ATOM 67 OD2 ASP A 5 -8.122 7.373 -15.162 1.00 0.00 O ATOM 0 H ASP A 5 -9.588 7.342 -10.624 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.979 5.032 -12.248 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.468 7.563 -12.882 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.772 7.781 -12.498 1.00 0.00 H new ATOM 72 N ILE A 6 -6.431 4.929 -12.043 1.00 0.00 N ATOM 73 CA ILE A 6 -5.110 4.483 -11.727 1.00 0.00 C ATOM 74 C ILE A 6 -4.187 5.653 -11.745 1.00 0.00 C ATOM 75 O ILE A 6 -4.255 6.501 -12.633 1.00 0.00 O ATOM 76 CB ILE A 6 -4.655 3.379 -12.634 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.394 2.059 -12.348 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.146 3.105 -12.512 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.795 1.925 -12.943 1.00 0.00 C ATOM 0 H ILE A 6 -6.686 4.727 -13.010 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.108 4.052 -10.726 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.884 3.726 -13.642 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.783 1.237 -12.722 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.468 1.935 -11.268 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.867 2.297 -13.189 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.590 4.006 -12.773 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.910 2.818 -11.487 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.213 0.955 -12.674 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.434 2.717 -12.552 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.739 2.008 -14.028 1.00 0.00 H new ATOM 91 N PHE A 7 -3.294 5.779 -10.747 1.00 0.00 N ATOM 92 CA PHE A 7 -2.316 6.821 -10.693 1.00 0.00 C ATOM 93 C PHE A 7 -0.991 6.272 -10.288 1.00 0.00 C ATOM 94 O PHE A 7 -0.898 5.216 -9.664 1.00 0.00 O ATOM 95 CB PHE A 7 -2.747 8.026 -9.840 1.00 0.00 C ATOM 96 CG PHE A 7 -2.835 7.795 -8.371 1.00 0.00 C ATOM 97 CD1 PHE A 7 -3.870 7.071 -7.827 1.00 0.00 C ATOM 98 CD2 PHE A 7 -1.906 8.366 -7.534 1.00 0.00 C ATOM 99 CE1 PHE A 7 -3.983 6.926 -6.464 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.010 8.225 -6.170 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.054 7.506 -5.633 1.00 0.00 C ATOM 0 H PHE A 7 -3.251 5.138 -9.955 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.220 7.222 -11.702 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.044 8.840 -10.017 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.721 8.364 -10.192 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.601 6.612 -8.476 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.086 8.931 -7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.801 6.357 -6.047 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.274 8.677 -5.522 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.143 7.398 -4.562 1.00 0.00 H new ATOM 111 N GLU A 8 0.105 6.962 -10.651 1.00 0.00 N ATOM 112 CA GLU A 8 1.438 6.561 -10.328 1.00 0.00 C ATOM 113 C GLU A 8 2.102 7.554 -9.435 1.00 0.00 C ATOM 114 O GLU A 8 2.023 8.764 -9.637 1.00 0.00 O ATOM 115 CB GLU A 8 2.277 6.320 -11.595 1.00 0.00 C ATOM 116 CG GLU A 8 2.461 7.545 -12.493 1.00 0.00 C ATOM 117 CD GLU A 8 3.029 7.220 -13.866 1.00 0.00 C ATOM 118 OE1 GLU A 8 3.487 6.072 -14.111 1.00 0.00 O ATOM 119 OE2 GLU A 8 2.982 8.125 -14.741 1.00 0.00 O ATOM 0 H GLU A 8 0.061 7.828 -11.188 1.00 0.00 H new ATOM 0 HA GLU A 8 1.369 5.616 -9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.260 5.956 -11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.807 5.528 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.498 8.041 -12.617 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.123 8.253 -11.995 1.00 0.00 H new ATOM 126 N VAL A 9 2.770 7.072 -8.373 1.00 0.00 N ATOM 127 CA VAL A 9 3.621 7.851 -7.528 1.00 0.00 C ATOM 128 C VAL A 9 5.046 7.576 -7.864 1.00 0.00 C ATOM 129 O VAL A 9 5.489 6.430 -7.881 1.00 0.00 O ATOM 130 CB VAL A 9 3.305 7.611 -6.081 1.00 0.00 C ATOM 131 CG1 VAL A 9 4.328 8.272 -5.142 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.903 8.173 -5.791 1.00 0.00 C ATOM 0 H VAL A 9 2.715 6.094 -8.090 1.00 0.00 H new ATOM 0 HA VAL A 9 3.441 8.911 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 9 3.345 6.538 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.055 8.069 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.320 7.867 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.335 9.349 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.655 8.008 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.888 9.242 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.171 7.668 -6.421 1.00 0.00 H new ATOM 142 N GLU A 10 5.814 8.638 -8.171 1.00 0.00 N ATOM 143 CA GLU A 10 7.188 8.584 -8.564 1.00 0.00 C ATOM 144 C GLU A 10 7.966 9.460 -7.643 1.00 0.00 C ATOM 145 O GLU A 10 8.425 10.540 -8.009 1.00 0.00 O ATOM 146 CB GLU A 10 7.349 9.092 -10.007 1.00 0.00 C ATOM 147 CG GLU A 10 6.527 8.322 -11.042 1.00 0.00 C ATOM 148 CD GLU A 10 6.611 8.957 -12.423 1.00 0.00 C ATOM 149 OE1 GLU A 10 6.250 10.157 -12.554 1.00 0.00 O ATOM 150 OE2 GLU A 10 7.005 8.257 -13.394 1.00 0.00 O ATOM 0 H GLU A 10 5.452 9.591 -8.143 1.00 0.00 H new ATOM 0 HA GLU A 10 7.547 7.556 -8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.064 10.143 -10.043 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.402 9.038 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.882 7.293 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.485 8.284 -10.723 1.00 0.00 H new ATOM 157 N LEU A 11 8.128 9.045 -6.374 1.00 0.00 N ATOM 158 CA LEU A 11 8.598 9.886 -5.318 1.00 0.00 C ATOM 159 C LEU A 11 9.942 9.437 -4.856 1.00 0.00 C ATOM 160 O LEU A 11 10.656 8.717 -5.553 1.00 0.00 O ATOM 161 CB LEU A 11 7.584 9.882 -4.162 1.00 0.00 C ATOM 162 CG LEU A 11 7.397 11.224 -3.433 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.568 12.203 -4.282 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.708 11.016 -2.075 1.00 0.00 C ATOM 0 H LEU A 11 7.925 8.092 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 11 8.697 10.907 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.617 9.564 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.895 9.134 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 11 8.388 11.649 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.451 13.143 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.079 12.388 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.586 11.773 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.586 11.978 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.730 10.561 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.319 10.361 -1.454 1.00 0.00 H new ATOM 176 N ALA A 12 10.358 9.844 -3.644 1.00 0.00 N ATOM 177 CA ALA A 12 11.569 9.389 -3.036 1.00 0.00 C ATOM 178 C ALA A 12 11.407 9.488 -1.558 1.00 0.00 C ATOM 179 O ALA A 12 10.642 10.312 -1.059 1.00 0.00 O ATOM 180 CB ALA A 12 12.777 10.224 -3.494 1.00 0.00 C ATOM 0 H ALA A 12 9.838 10.508 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 12 11.759 8.358 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.681 9.851 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.884 10.146 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.624 11.267 -3.219 1.00 0.00 H new ATOM 186 N LYS A 13 12.102 8.633 -0.785 1.00 0.00 N ATOM 187 CA LYS A 13 12.139 8.732 0.640 1.00 0.00 C ATOM 188 C LYS A 13 12.979 9.869 1.110 1.00 0.00 C ATOM 189 O LYS A 13 14.206 9.794 1.139 1.00 0.00 O ATOM 190 CB LYS A 13 12.552 7.415 1.319 1.00 0.00 C ATOM 191 CG LYS A 13 12.536 7.484 2.847 1.00 0.00 C ATOM 192 CD LYS A 13 12.518 6.132 3.564 1.00 0.00 C ATOM 193 CE LYS A 13 13.719 5.208 3.347 1.00 0.00 C ATOM 194 NZ LYS A 13 14.984 5.820 3.809 1.00 0.00 N ATOM 0 H LYS A 13 12.649 7.857 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 13 11.113 8.938 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.880 6.621 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.554 7.143 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.413 8.040 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.661 8.054 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.424 6.318 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.620 5.597 3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.555 4.271 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.801 4.964 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.770 5.160 3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.155 6.701 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.917 6.030 4.825 1.00 0.00 H new ATOM 208 N ASN A 14 12.338 10.980 1.515 1.00 0.00 N ATOM 209 CA ASN A 14 12.978 12.097 2.138 1.00 0.00 C ATOM 210 C ASN A 14 12.981 11.928 3.618 1.00 0.00 C ATOM 211 O ASN A 14 14.015 11.645 4.222 1.00 0.00 O ATOM 212 CB ASN A 14 12.416 13.445 1.655 1.00 0.00 C ATOM 213 CG ASN A 14 10.908 13.464 1.441 1.00 0.00 C ATOM 214 OD1 ASN A 14 10.132 13.036 2.294 1.00 0.00 O ATOM 215 ND2 ASN A 14 10.460 13.994 0.272 1.00 0.00 N ATOM 0 H ASN A 14 11.332 11.105 1.404 1.00 0.00 H new ATOM 0 HA ASN A 14 14.022 12.120 1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.676 14.214 2.383 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.906 13.713 0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.458 14.044 0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.125 14.342 -0.418 1.00 0.00 H new ATOM 222 N ASP A 15 11.810 12.058 4.268 1.00 0.00 N ATOM 223 CA ASP A 15 11.606 11.829 5.664 1.00 0.00 C ATOM 224 C ASP A 15 11.316 10.394 5.941 1.00 0.00 C ATOM 225 O ASP A 15 12.130 9.672 6.515 1.00 0.00 O ATOM 226 CB ASP A 15 10.437 12.704 6.150 1.00 0.00 C ATOM 227 CG ASP A 15 10.937 14.132 6.308 1.00 0.00 C ATOM 228 OD1 ASP A 15 11.879 14.326 7.123 1.00 0.00 O ATOM 229 OD2 ASP A 15 10.396 15.060 5.649 1.00 0.00 O ATOM 0 H ASP A 15 10.955 12.340 3.789 1.00 0.00 H new ATOM 0 HA ASP A 15 12.519 12.093 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.614 12.667 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.053 12.330 7.099 1.00 0.00 H new ATOM 234 N ASN A 16 10.130 9.934 5.504 1.00 0.00 N ATOM 235 CA ASN A 16 9.663 8.584 5.553 1.00 0.00 C ATOM 236 C ASN A 16 9.048 8.416 4.205 1.00 0.00 C ATOM 237 O ASN A 16 8.847 9.403 3.500 1.00 0.00 O ATOM 238 CB ASN A 16 8.604 8.375 6.649 1.00 0.00 C ATOM 239 CG ASN A 16 9.262 8.076 7.988 1.00 0.00 C ATOM 240 OD1 ASN A 16 10.412 7.652 8.095 1.00 0.00 O ATOM 241 ND2 ASN A 16 8.478 8.249 9.087 1.00 0.00 N ATOM 0 H ASN A 16 9.443 10.559 5.082 1.00 0.00 H new ATOM 0 HA ASN A 16 10.455 7.872 5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.983 9.267 6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.945 7.553 6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.842 8.026 10.013 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.526 8.601 8.984 1.00 0.00 H new ATOM 248 N SER A 17 8.751 7.184 3.754 1.00 0.00 N ATOM 249 CA SER A 17 8.272 6.975 2.423 1.00 0.00 C ATOM 250 C SER A 17 6.805 7.206 2.309 1.00 0.00 C ATOM 251 O SER A 17 6.361 7.957 1.442 1.00 0.00 O ATOM 252 CB SER A 17 8.652 5.604 1.841 1.00 0.00 C ATOM 253 OG SER A 17 8.294 4.522 2.688 1.00 0.00 O ATOM 0 H SER A 17 8.842 6.334 4.310 1.00 0.00 H new ATOM 0 HA SER A 17 8.783 7.725 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.164 5.478 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.727 5.577 1.661 1.00 0.00 H new ATOM 0 HG SER A 17 8.557 3.677 2.268 1.00 0.00 H new ATOM 259 N LEU A 18 5.984 6.583 3.175 1.00 0.00 N ATOM 260 CA LEU A 18 4.584 6.855 3.259 1.00 0.00 C ATOM 261 C LEU A 18 4.216 7.718 4.416 1.00 0.00 C ATOM 262 O LEU A 18 4.139 8.940 4.296 1.00 0.00 O ATOM 263 CB LEU A 18 3.772 5.549 3.209 1.00 0.00 C ATOM 264 CG LEU A 18 3.556 5.066 1.765 1.00 0.00 C ATOM 265 CD1 LEU A 18 3.218 3.568 1.686 1.00 0.00 C ATOM 266 CD2 LEU A 18 2.459 5.877 1.055 1.00 0.00 C ATOM 0 H LEU A 18 6.303 5.872 3.833 1.00 0.00 H new ATOM 0 HA LEU A 18 4.321 7.444 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.291 4.777 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.806 5.703 3.689 1.00 0.00 H new ATOM 0 HG LEU A 18 4.506 5.225 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.076 3.282 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.035 2.988 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.303 3.372 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.334 5.507 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.519 5.771 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.745 6.929 1.027 1.00 0.00 H new ATOM 278 N GLY A 19 3.914 7.116 5.580 1.00 0.00 N ATOM 279 CA GLY A 19 3.162 7.740 6.625 1.00 0.00 C ATOM 280 C GLY A 19 1.717 7.415 6.459 1.00 0.00 C ATOM 281 O GLY A 19 0.857 8.291 6.382 1.00 0.00 O ATOM 0 H GLY A 19 4.203 6.163 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.514 7.395 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.308 8.820 6.598 1.00 0.00 H new ATOM 285 N ILE A 20 1.393 6.114 6.366 1.00 0.00 N ATOM 286 CA ILE A 20 0.069 5.667 6.063 1.00 0.00 C ATOM 287 C ILE A 20 -0.236 4.396 6.777 1.00 0.00 C ATOM 288 O ILE A 20 0.641 3.665 7.234 1.00 0.00 O ATOM 289 CB ILE A 20 -0.136 5.609 4.579 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.535 6.107 4.177 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.207 4.230 3.989 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.700 6.347 2.677 1.00 0.00 C ATOM 0 H ILE A 20 2.063 5.357 6.504 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.659 6.388 6.435 1.00 0.00 H new ATOM 0 HB ILE A 20 0.577 6.301 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.277 5.377 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.746 7.035 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.041 4.244 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.252 3.997 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.429 3.471 4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.712 6.696 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.983 7.100 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.522 5.416 2.138 1.00 0.00 H new ATOM 304 N SER A 21 -1.530 4.073 6.951 1.00 0.00 N ATOM 305 CA SER A 21 -1.980 2.937 7.693 1.00 0.00 C ATOM 306 C SER A 21 -2.836 2.079 6.827 1.00 0.00 C ATOM 307 O SER A 21 -3.495 2.575 5.913 1.00 0.00 O ATOM 308 CB SER A 21 -2.738 3.421 8.941 1.00 0.00 C ATOM 309 OG SER A 21 -3.075 2.358 9.821 1.00 0.00 O ATOM 0 H SER A 21 -2.293 4.625 6.559 1.00 0.00 H new ATOM 0 HA SER A 21 -1.131 2.336 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.126 4.149 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.648 3.935 8.632 1.00 0.00 H new ATOM 0 HG SER A 21 -3.553 2.716 10.598 1.00 0.00 H new ATOM 315 N VAL A 22 -2.819 0.751 7.031 1.00 0.00 N ATOM 316 CA VAL A 22 -3.362 -0.236 6.149 1.00 0.00 C ATOM 317 C VAL A 22 -4.352 -1.098 6.853 1.00 0.00 C ATOM 318 O VAL A 22 -4.229 -1.348 8.051 1.00 0.00 O ATOM 319 CB VAL A 22 -2.228 -1.000 5.532 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.501 -2.481 5.217 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.829 -0.287 4.230 1.00 0.00 C ATOM 0 H VAL A 22 -2.399 0.340 7.865 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.922 0.238 5.343 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.438 -1.012 6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.611 -2.929 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.754 -3.008 6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.332 -2.557 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.004 -0.823 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.682 -0.265 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.518 0.733 4.455 1.00 0.00 H new ATOM 331 N THR A 23 -5.390 -1.578 6.145 1.00 0.00 N ATOM 332 CA THR A 23 -6.442 -2.373 6.699 1.00 0.00 C ATOM 333 C THR A 23 -6.808 -3.503 5.799 1.00 0.00 C ATOM 334 O THR A 23 -7.102 -3.336 4.617 1.00 0.00 O ATOM 335 CB THR A 23 -7.673 -1.582 7.032 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.687 -2.339 7.678 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.314 -0.881 5.824 1.00 0.00 C ATOM 0 H THR A 23 -5.501 -1.405 5.146 1.00 0.00 H new ATOM 0 HA THR A 23 -6.041 -2.767 7.633 1.00 0.00 H new ATOM 0 HB THR A 23 -7.287 -0.831 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.456 -1.762 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.197 -0.331 6.149 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.597 -0.188 5.383 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.602 -1.626 5.082 1.00 0.00 H new ATOM 345 N GLY A 24 -6.804 -4.740 6.329 1.00 0.00 N ATOM 346 CA GLY A 24 -7.417 -5.893 5.748 1.00 0.00 C ATOM 347 C GLY A 24 -6.923 -6.369 4.425 1.00 0.00 C ATOM 348 O GLY A 24 -7.659 -6.362 3.440 1.00 0.00 O ATOM 0 H GLY A 24 -6.345 -4.946 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.314 -6.715 6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.483 -5.688 5.650 1.00 0.00 H new ATOM 352 N GLY A 25 -5.662 -6.834 4.365 1.00 0.00 N ATOM 353 CA GLY A 25 -5.055 -7.339 3.173 1.00 0.00 C ATOM 354 C GLY A 25 -4.192 -8.515 3.477 1.00 0.00 C ATOM 355 O GLY A 25 -2.966 -8.419 3.515 1.00 0.00 O ATOM 0 H GLY A 25 -5.043 -6.859 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.827 -7.624 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.459 -6.557 2.703 1.00 0.00 H new ATOM 359 N VAL A 26 -4.837 -9.669 3.721 1.00 0.00 N ATOM 360 CA VAL A 26 -4.209 -10.869 4.178 1.00 0.00 C ATOM 361 C VAL A 26 -4.171 -11.897 3.100 1.00 0.00 C ATOM 362 O VAL A 26 -3.417 -11.783 2.134 1.00 0.00 O ATOM 363 CB VAL A 26 -4.830 -11.349 5.456 1.00 0.00 C ATOM 364 CG1 VAL A 26 -4.321 -10.446 6.592 1.00 0.00 C ATOM 365 CG2 VAL A 26 -6.367 -11.287 5.437 1.00 0.00 C ATOM 0 H VAL A 26 -5.844 -9.770 3.594 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.168 -10.655 4.418 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.550 -12.393 5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.756 -10.770 7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.235 -10.512 6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.611 -9.414 6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.757 -11.647 6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.688 -10.257 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.746 -11.913 4.629 1.00 0.00 H new ATOM 375 N ASN A 27 -4.978 -12.967 3.206 1.00 0.00 N ATOM 376 CA ASN A 27 -5.132 -14.020 2.251 1.00 0.00 C ATOM 377 C ASN A 27 -5.887 -13.566 1.050 1.00 0.00 C ATOM 378 O ASN A 27 -5.299 -13.299 0.003 1.00 0.00 O ATOM 379 CB ASN A 27 -5.701 -15.283 2.919 1.00 0.00 C ATOM 380 CG ASN A 27 -6.804 -14.976 3.923 1.00 0.00 C ATOM 381 OD1 ASN A 27 -7.909 -14.585 3.551 1.00 0.00 O ATOM 382 ND2 ASN A 27 -6.505 -15.091 5.244 1.00 0.00 N ATOM 0 H ASN A 27 -5.569 -13.106 4.025 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.149 -14.301 1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.091 -15.950 2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.895 -15.816 3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.203 -14.851 5.948 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.582 -15.417 5.532 1.00 0.00 H new ATOM 389 N THR A 28 -7.222 -13.424 1.132 1.00 0.00 N ATOM 390 CA THR A 28 -8.014 -12.839 0.096 1.00 0.00 C ATOM 391 C THR A 28 -9.127 -12.060 0.707 1.00 0.00 C ATOM 392 O THR A 28 -9.912 -12.575 1.501 1.00 0.00 O ATOM 393 CB THR A 28 -8.449 -13.810 -0.963 1.00 0.00 C ATOM 394 OG1 THR A 28 -9.115 -13.174 -2.043 1.00 0.00 O ATOM 395 CG2 THR A 28 -9.359 -14.930 -0.431 1.00 0.00 C ATOM 0 H THR A 28 -7.765 -13.724 1.941 1.00 0.00 H new ATOM 0 HA THR A 28 -7.386 -12.145 -0.463 1.00 0.00 H new ATOM 0 HB THR A 28 -7.517 -14.253 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.377 -13.846 -2.707 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.635 -15.594 -1.250 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.829 -15.497 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.259 -14.493 0.001 1.00 0.00 H new ATOM 403 N SER A 29 -9.202 -10.748 0.419 1.00 0.00 N ATOM 404 CA SER A 29 -10.090 -9.841 1.078 1.00 0.00 C ATOM 405 C SER A 29 -10.726 -8.871 0.143 1.00 0.00 C ATOM 406 O SER A 29 -11.913 -8.979 -0.160 1.00 0.00 O ATOM 407 CB SER A 29 -9.405 -9.075 2.223 1.00 0.00 C ATOM 408 OG SER A 29 -8.159 -8.522 1.825 1.00 0.00 O ATOM 0 H SER A 29 -8.626 -10.304 -0.296 1.00 0.00 H new ATOM 0 HA SER A 29 -10.873 -10.471 1.499 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.062 -8.277 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.250 -9.747 3.067 1.00 0.00 H new ATOM 0 HG SER A 29 -8.005 -7.682 2.306 1.00 0.00 H new ATOM 414 N VAL A 30 -9.970 -7.868 -0.340 1.00 0.00 N ATOM 415 CA VAL A 30 -10.431 -6.764 -1.124 1.00 0.00 C ATOM 416 C VAL A 30 -10.924 -7.208 -2.459 1.00 0.00 C ATOM 417 O VAL A 30 -12.084 -7.021 -2.822 1.00 0.00 O ATOM 418 CB VAL A 30 -9.358 -5.735 -1.321 1.00 0.00 C ATOM 419 CG1 VAL A 30 -9.912 -4.470 -1.998 1.00 0.00 C ATOM 420 CG2 VAL A 30 -8.710 -5.389 0.031 1.00 0.00 C ATOM 0 H VAL A 30 -8.965 -7.827 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.254 -6.317 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.599 -6.154 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.109 -3.744 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.325 -4.730 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.696 -4.038 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.932 -4.641 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.468 -4.993 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.271 -6.288 0.465 1.00 0.00 H new ATOM 430 N ARG A 31 -10.021 -7.824 -3.244 1.00 0.00 N ATOM 431 CA ARG A 31 -10.298 -8.358 -4.541 1.00 0.00 C ATOM 432 C ARG A 31 -9.882 -9.788 -4.508 1.00 0.00 C ATOM 433 O ARG A 31 -10.411 -10.585 -3.735 1.00 0.00 O ATOM 434 CB ARG A 31 -9.564 -7.505 -5.590 1.00 0.00 C ATOM 435 CG ARG A 31 -10.026 -7.701 -7.035 1.00 0.00 C ATOM 436 CD ARG A 31 -9.267 -6.847 -8.054 1.00 0.00 C ATOM 437 NE ARG A 31 -9.492 -5.422 -7.680 1.00 0.00 N ATOM 438 CZ ARG A 31 -10.328 -4.546 -8.310 1.00 0.00 C ATOM 439 NH1 ARG A 31 -11.069 -4.863 -9.411 1.00 0.00 N ATOM 440 NH2 ARG A 31 -10.448 -3.299 -7.769 1.00 0.00 N ATOM 0 H ARG A 31 -9.050 -7.956 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.352 -8.322 -4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.684 -6.454 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.499 -7.728 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.914 -8.752 -7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.089 -7.467 -7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.204 -7.086 -8.042 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.626 -7.042 -9.065 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.972 -5.068 -6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.016 -5.801 -9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.676 -4.162 -9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.924 -3.055 -6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.061 -2.611 -8.205 1.00 0.00 H new ATOM 454 N HIS A 32 -8.873 -10.176 -5.309 1.00 0.00 N ATOM 455 CA HIS A 32 -8.191 -11.431 -5.224 1.00 0.00 C ATOM 456 C HIS A 32 -6.962 -11.262 -4.400 1.00 0.00 C ATOM 457 O HIS A 32 -5.839 -11.400 -4.884 1.00 0.00 O ATOM 458 CB HIS A 32 -7.843 -11.958 -6.626 1.00 0.00 C ATOM 459 CG HIS A 32 -7.212 -10.984 -7.577 1.00 0.00 C ATOM 460 ND1 HIS A 32 -7.247 -11.290 -8.922 1.00 0.00 N ATOM 461 CD2 HIS A 32 -6.572 -9.801 -7.378 1.00 0.00 C ATOM 462 CE1 HIS A 32 -6.646 -10.279 -9.524 1.00 0.00 C ATOM 463 NE2 HIS A 32 -6.215 -9.348 -8.632 1.00 0.00 N ATOM 0 H HIS A 32 -8.514 -9.582 -6.056 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.843 -12.165 -4.750 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.169 -12.807 -6.512 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.757 -12.336 -7.084 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.382 -9.315 -6.432 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.513 -10.202 -10.593 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.722 -8.481 -8.848 1.00 0.00 H new ATOM 471 N GLY A 33 -7.133 -10.901 -3.116 1.00 0.00 N ATOM 472 CA GLY A 33 -6.084 -10.368 -2.304 1.00 0.00 C ATOM 473 C GLY A 33 -6.273 -8.892 -2.255 1.00 0.00 C ATOM 474 O GLY A 33 -7.406 -8.416 -2.185 1.00 0.00 O ATOM 0 H GLY A 33 -8.026 -10.982 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.119 -10.794 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.109 -10.617 -2.722 1.00 0.00 H new ATOM 478 N GLY A 34 -5.169 -8.127 -2.332 1.00 0.00 N ATOM 479 CA GLY A 34 -5.200 -6.699 -2.388 1.00 0.00 C ATOM 480 C GLY A 34 -4.923 -6.060 -1.070 1.00 0.00 C ATOM 481 O GLY A 34 -5.150 -6.636 -0.007 1.00 0.00 O ATOM 0 H GLY A 34 -4.226 -8.515 -2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.465 -6.353 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.178 -6.376 -2.744 1.00 0.00 H new ATOM 485 N ILE A 35 -4.445 -4.805 -1.113 1.00 0.00 N ATOM 486 CA ILE A 35 -4.072 -4.040 0.036 1.00 0.00 C ATOM 487 C ILE A 35 -4.840 -2.767 -0.069 1.00 0.00 C ATOM 488 O ILE A 35 -5.090 -2.270 -1.166 1.00 0.00 O ATOM 489 CB ILE A 35 -2.595 -3.789 0.110 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.752 -5.076 0.144 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.209 -2.873 1.284 1.00 0.00 C ATOM 492 CD1 ILE A 35 -2.041 -6.033 1.299 1.00 0.00 C ATOM 0 H ILE A 35 -4.312 -4.300 -1.989 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.304 -4.581 0.953 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.360 -3.273 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.904 -5.612 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.699 -4.797 0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.129 -2.725 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.707 -1.910 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.517 -3.334 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.390 -6.904 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.858 -5.526 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.082 -6.354 1.254 1.00 0.00 H new ATOM 504 N TYR A 36 -5.310 -2.246 1.079 1.00 0.00 N ATOM 505 CA TYR A 36 -6.257 -1.183 1.209 1.00 0.00 C ATOM 506 C TYR A 36 -5.812 -0.217 2.254 1.00 0.00 C ATOM 507 O TYR A 36 -5.430 -0.598 3.359 1.00 0.00 O ATOM 508 CB TYR A 36 -7.595 -1.807 1.643 1.00 0.00 C ATOM 509 CG TYR A 36 -8.800 -1.031 1.238 1.00 0.00 C ATOM 510 CD1 TYR A 36 -9.277 0.009 1.999 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.509 -1.428 0.129 1.00 0.00 C ATOM 512 CE1 TYR A 36 -10.453 0.637 1.661 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.687 -0.808 -0.215 1.00 0.00 C ATOM 514 CZ TYR A 36 -11.160 0.230 0.554 1.00 0.00 C ATOM 515 OH TYR A 36 -12.379 0.862 0.232 1.00 0.00 O ATOM 0 H TYR A 36 -5.002 -2.597 1.986 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.354 -0.651 0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.667 -2.810 1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.596 -1.915 2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.725 0.335 2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.136 -2.238 -0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.822 1.452 2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.238 -1.134 -1.085 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.752 0.458 -0.579 1.00 0.00 H new ATOM 525 N VAL A 37 -5.852 1.095 1.961 1.00 0.00 N ATOM 526 CA VAL A 37 -5.453 2.123 2.872 1.00 0.00 C ATOM 527 C VAL A 37 -6.505 2.447 3.876 1.00 0.00 C ATOM 528 O VAL A 37 -7.656 2.727 3.546 1.00 0.00 O ATOM 529 CB VAL A 37 -5.042 3.358 2.128 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.712 4.523 3.076 1.00 0.00 C ATOM 531 CG2 VAL A 37 -3.800 3.043 1.276 1.00 0.00 C ATOM 0 H VAL A 37 -6.172 1.452 1.061 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.597 1.735 3.425 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.880 3.662 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.420 5.396 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.590 4.765 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.892 4.235 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.496 3.937 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.986 2.718 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.037 2.250 0.567 1.00 0.00 H new ATOM 541 N LYS A 38 -6.134 2.446 5.169 1.00 0.00 N ATOM 542 CA LYS A 38 -6.983 2.713 6.289 1.00 0.00 C ATOM 543 C LYS A 38 -7.103 4.174 6.557 1.00 0.00 C ATOM 544 O LYS A 38 -8.208 4.712 6.609 1.00 0.00 O ATOM 545 CB LYS A 38 -6.472 1.991 7.548 1.00 0.00 C ATOM 546 CG LYS A 38 -7.469 1.903 8.706 1.00 0.00 C ATOM 547 CD LYS A 38 -6.967 1.030 9.858 1.00 0.00 C ATOM 548 CE LYS A 38 -7.980 0.816 10.984 1.00 0.00 C ATOM 549 NZ LYS A 38 -7.465 -0.179 11.952 1.00 0.00 N ATOM 0 H LYS A 38 -5.174 2.245 5.450 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.973 2.333 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.174 0.980 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.576 2.502 7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.674 2.906 9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.413 1.501 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.676 0.058 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.069 1.485 10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.176 1.761 11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.929 0.474 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.161 -0.316 12.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.300 -1.083 11.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.571 0.163 12.359 1.00 0.00 H new ATOM 563 N ALA A 39 -5.971 4.877 6.741 1.00 0.00 N ATOM 564 CA ALA A 39 -5.959 6.288 6.972 1.00 0.00 C ATOM 565 C ALA A 39 -4.575 6.820 6.826 1.00 0.00 C ATOM 566 O ALA A 39 -3.604 6.064 6.782 1.00 0.00 O ATOM 567 CB ALA A 39 -6.518 6.657 8.356 1.00 0.00 C ATOM 0 H ALA A 39 -5.043 4.455 6.729 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.609 6.743 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.488 7.739 8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.548 6.311 8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.915 6.183 9.130 1.00 0.00 H new ATOM 573 N VAL A 40 -4.440 8.153 6.713 1.00 0.00 N ATOM 574 CA VAL A 40 -3.205 8.854 6.534 1.00 0.00 C ATOM 575 C VAL A 40 -2.698 9.400 7.825 1.00 0.00 C ATOM 576 O VAL A 40 -3.430 10.038 8.579 1.00 0.00 O ATOM 577 CB VAL A 40 -3.330 9.968 5.537 1.00 0.00 C ATOM 578 CG1 VAL A 40 -1.940 10.494 5.141 1.00 0.00 C ATOM 579 CG2 VAL A 40 -4.054 9.468 4.277 1.00 0.00 C ATOM 0 H VAL A 40 -5.243 8.781 6.749 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.492 8.125 6.150 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.903 10.774 5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.049 11.302 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.426 10.868 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.358 9.686 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.140 10.284 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.487 8.651 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.049 9.114 4.546 1.00 0.00 H new ATOM 589 N ILE A 41 -1.413 9.162 8.140 1.00 0.00 N ATOM 590 CA ILE A 41 -0.754 9.647 9.313 1.00 0.00 C ATOM 591 C ILE A 41 -0.289 11.044 9.085 1.00 0.00 C ATOM 592 O ILE A 41 0.440 11.250 8.114 1.00 0.00 O ATOM 593 CB ILE A 41 0.405 8.771 9.682 1.00 0.00 C ATOM 594 CG1 ILE A 41 0.002 7.294 9.831 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.112 9.263 10.956 1.00 0.00 C ATOM 596 CD1 ILE A 41 -0.969 6.991 10.971 1.00 0.00 C ATOM 0 H ILE A 41 -0.802 8.602 7.546 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.464 9.631 10.140 1.00 0.00 H new ATOM 0 HB ILE A 41 1.108 8.839 8.852 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.448 6.962 8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.905 6.702 9.979 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.946 8.600 11.188 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.486 10.275 10.797 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.406 9.263 11.787 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.188 5.923 10.988 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.519 7.285 11.920 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.893 7.549 10.820 1.00 0.00 H new ATOM 608 N PRO A 42 -0.594 12.054 9.845 1.00 0.00 N ATOM 609 CA PRO A 42 -0.251 13.411 9.531 1.00 0.00 C ATOM 610 C PRO A 42 1.148 13.787 9.880 1.00 0.00 C ATOM 611 O PRO A 42 1.404 14.943 10.209 1.00 0.00 O ATOM 612 CB PRO A 42 -1.270 14.221 10.327 1.00 0.00 C ATOM 613 CG PRO A 42 -1.477 13.385 11.601 1.00 0.00 C ATOM 614 CD PRO A 42 -1.439 11.960 11.026 1.00 0.00 C ATOM 0 HA PRO A 42 -0.286 13.590 8.456 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.897 15.219 10.558 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.201 14.348 9.775 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.691 13.554 12.337 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.425 13.607 12.090 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.031 11.253 11.749 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.439 11.611 10.769 1.00 0.00 H new ATOM 622 N GLN A 43 2.109 12.849 9.806 1.00 0.00 N ATOM 623 CA GLN A 43 3.486 13.062 10.129 1.00 0.00 C ATOM 624 C GLN A 43 4.324 12.283 9.174 1.00 0.00 C ATOM 625 O GLN A 43 5.199 11.503 9.546 1.00 0.00 O ATOM 626 CB GLN A 43 3.796 12.675 11.584 1.00 0.00 C ATOM 627 CG GLN A 43 3.075 13.553 12.608 1.00 0.00 C ATOM 628 CD GLN A 43 3.527 13.312 14.040 1.00 0.00 C ATOM 629 OE1 GLN A 43 2.820 12.734 14.865 1.00 0.00 O ATOM 630 NE2 GLN A 43 4.742 13.817 14.384 1.00 0.00 N ATOM 0 H GLN A 43 1.916 11.894 9.506 1.00 0.00 H new ATOM 0 HA GLN A 43 3.715 14.124 10.037 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.514 11.634 11.744 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.871 12.743 11.750 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.238 14.601 12.355 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.002 13.372 12.539 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.313 14.293 13.685 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.082 13.720 15.341 1.00 0.00 H new ATOM 639 N GLY A 44 4.096 12.461 7.860 1.00 0.00 N ATOM 640 CA GLY A 44 4.797 11.717 6.860 1.00 0.00 C ATOM 641 C GLY A 44 4.608 12.311 5.506 1.00 0.00 C ATOM 642 O GLY A 44 3.819 13.233 5.311 1.00 0.00 O ATOM 0 H GLY A 44 3.419 13.127 7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.859 11.691 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.445 10.685 6.859 1.00 0.00 H new ATOM 646 N ALA A 45 5.337 11.771 4.514 1.00 0.00 N ATOM 647 CA ALA A 45 5.384 12.246 3.165 1.00 0.00 C ATOM 648 C ALA A 45 4.080 12.206 2.444 1.00 0.00 C ATOM 649 O ALA A 45 3.790 13.099 1.649 1.00 0.00 O ATOM 650 CB ALA A 45 6.462 11.471 2.388 1.00 0.00 C ATOM 0 H ALA A 45 5.929 10.954 4.662 1.00 0.00 H new ATOM 0 HA ALA A 45 5.638 13.305 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.499 11.831 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.432 11.623 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.220 10.408 2.391 1.00 0.00 H new ATOM 656 N ALA A 46 3.207 11.225 2.735 1.00 0.00 N ATOM 657 CA ALA A 46 1.890 11.123 2.186 1.00 0.00 C ATOM 658 C ALA A 46 1.026 12.305 2.454 1.00 0.00 C ATOM 659 O ALA A 46 0.432 12.879 1.541 1.00 0.00 O ATOM 660 CB ALA A 46 1.220 9.846 2.720 1.00 0.00 C ATOM 0 H ALA A 46 3.429 10.469 3.382 1.00 0.00 H new ATOM 0 HA ALA A 46 2.004 11.081 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.215 9.762 2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.808 8.976 2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.161 9.893 3.807 1.00 0.00 H new ATOM 666 N GLU A 47 0.962 12.755 3.721 1.00 0.00 N ATOM 667 CA GLU A 47 0.206 13.892 4.145 1.00 0.00 C ATOM 668 C GLU A 47 0.871 15.182 3.812 1.00 0.00 C ATOM 669 O GLU A 47 0.229 16.199 3.556 1.00 0.00 O ATOM 670 CB GLU A 47 -0.090 13.799 5.652 1.00 0.00 C ATOM 671 CG GLU A 47 -1.324 14.577 6.117 1.00 0.00 C ATOM 672 CD GLU A 47 -1.061 15.986 6.629 1.00 0.00 C ATOM 673 OE1 GLU A 47 0.085 16.318 7.032 1.00 0.00 O ATOM 674 OE2 GLU A 47 -2.027 16.794 6.630 1.00 0.00 O ATOM 0 H GLU A 47 1.462 12.303 4.486 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.734 13.879 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.219 12.750 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.779 14.163 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.027 14.637 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.813 14.008 6.908 1.00 0.00 H new ATOM 681 N SER A 48 2.215 15.187 3.749 1.00 0.00 N ATOM 682 CA SER A 48 2.997 16.306 3.322 1.00 0.00 C ATOM 683 C SER A 48 2.778 16.670 1.893 1.00 0.00 C ATOM 684 O SER A 48 2.412 17.799 1.570 1.00 0.00 O ATOM 685 CB SER A 48 4.501 16.054 3.528 1.00 0.00 C ATOM 686 OG SER A 48 5.255 17.253 3.429 1.00 0.00 O ATOM 0 H SER A 48 2.780 14.378 4.006 1.00 0.00 H new ATOM 0 HA SER A 48 2.662 17.136 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.663 15.602 4.507 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.855 15.340 2.785 1.00 0.00 H new ATOM 0 HG SER A 48 6.205 17.055 3.567 1.00 0.00 H new ATOM 692 N ASP A 49 2.986 15.710 0.974 1.00 0.00 N ATOM 693 CA ASP A 49 2.973 15.914 -0.441 1.00 0.00 C ATOM 694 C ASP A 49 1.587 15.971 -0.984 1.00 0.00 C ATOM 695 O ASP A 49 1.247 16.882 -1.738 1.00 0.00 O ATOM 696 CB ASP A 49 3.824 14.803 -1.079 1.00 0.00 C ATOM 697 CG ASP A 49 4.494 15.240 -2.373 1.00 0.00 C ATOM 698 OD1 ASP A 49 3.793 15.477 -3.394 1.00 0.00 O ATOM 699 OD2 ASP A 49 5.745 15.382 -2.366 1.00 0.00 O ATOM 0 H ASP A 49 3.173 14.741 1.232 1.00 0.00 H new ATOM 0 HA ASP A 49 3.405 16.884 -0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.588 14.485 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.192 13.937 -1.277 1.00 0.00 H new ATOM 704 N GLY A 50 0.713 15.021 -0.606 1.00 0.00 N ATOM 705 CA GLY A 50 -0.646 14.959 -1.051 1.00 0.00 C ATOM 706 C GLY A 50 -0.776 14.113 -2.270 1.00 0.00 C ATOM 707 O GLY A 50 -0.818 14.617 -3.391 1.00 0.00 O ATOM 0 H GLY A 50 0.962 14.267 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.273 14.555 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.008 15.965 -1.263 1.00 0.00 H new ATOM 711 N ARG A 51 -0.816 12.780 -2.091 1.00 0.00 N ATOM 712 CA ARG A 51 -0.765 11.831 -3.160 1.00 0.00 C ATOM 713 C ARG A 51 -1.691 10.682 -2.954 1.00 0.00 C ATOM 714 O ARG A 51 -2.474 10.350 -3.843 1.00 0.00 O ATOM 715 CB ARG A 51 0.656 11.283 -3.371 1.00 0.00 C ATOM 716 CG ARG A 51 1.717 12.248 -3.905 1.00 0.00 C ATOM 717 CD ARG A 51 1.635 12.597 -5.393 1.00 0.00 C ATOM 718 NE ARG A 51 0.514 13.563 -5.563 1.00 0.00 N ATOM 719 CZ ARG A 51 -0.313 13.653 -6.646 1.00 0.00 C ATOM 720 NH1 ARG A 51 -0.112 12.953 -7.801 1.00 0.00 N ATOM 721 NH2 ARG A 51 -1.401 14.475 -6.577 1.00 0.00 N ATOM 0 H ARG A 51 -0.886 12.348 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.081 12.381 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.009 10.890 -2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.592 10.440 -4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.655 13.174 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.699 11.818 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.573 13.033 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.463 11.700 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 51 0.349 14.218 -4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.688 12.325 -7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.762 13.058 -8.580 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.584 15.008 -5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.031 14.556 -7.375 1.00 0.00 H new ATOM 735 N ILE A 52 -1.639 10.012 -1.789 1.00 0.00 N ATOM 736 CA ILE A 52 -2.292 8.765 -1.536 1.00 0.00 C ATOM 737 C ILE A 52 -3.097 8.964 -0.298 1.00 0.00 C ATOM 738 O ILE A 52 -2.629 9.597 0.648 1.00 0.00 O ATOM 739 CB ILE A 52 -1.314 7.651 -1.309 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.334 7.505 -2.486 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.064 6.330 -1.072 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.859 6.600 -2.179 1.00 0.00 C ATOM 0 H ILE A 52 -1.116 10.357 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.899 8.484 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.729 7.897 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.870 7.106 -3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.032 8.492 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.345 5.528 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.705 6.428 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.675 6.097 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.507 6.543 -3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.419 7.009 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.503 5.601 -1.926 1.00 0.00 H new ATOM 754 N HIS A 53 -4.353 8.486 -0.252 1.00 0.00 N ATOM 755 CA HIS A 53 -5.209 8.727 0.869 1.00 0.00 C ATOM 756 C HIS A 53 -6.110 7.593 1.219 1.00 0.00 C ATOM 757 O HIS A 53 -5.915 6.459 0.787 1.00 0.00 O ATOM 758 CB HIS A 53 -5.960 10.060 0.717 1.00 0.00 C ATOM 759 CG HIS A 53 -7.008 10.144 -0.354 1.00 0.00 C ATOM 760 ND1 HIS A 53 -7.611 11.368 -0.552 1.00 0.00 N ATOM 761 CD2 HIS A 53 -7.525 9.216 -1.203 1.00 0.00 C ATOM 762 CE1 HIS A 53 -8.475 11.171 -1.530 1.00 0.00 C ATOM 763 NE2 HIS A 53 -8.468 9.881 -1.960 1.00 0.00 N ATOM 0 H HIS A 53 -4.778 7.930 -0.994 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.549 8.810 1.732 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.434 10.290 1.671 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.224 10.842 0.530 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.253 8.173 -1.271 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.111 11.942 -1.940 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.047 9.482 -2.699 1.00 0.00 H new ATOM 771 N LYS A 54 -7.123 7.839 2.069 1.00 0.00 N ATOM 772 CA LYS A 54 -8.023 6.848 2.573 1.00 0.00 C ATOM 773 C LYS A 54 -8.771 6.103 1.521 1.00 0.00 C ATOM 774 O LYS A 54 -9.450 6.677 0.670 1.00 0.00 O ATOM 775 CB LYS A 54 -8.975 7.441 3.626 1.00 0.00 C ATOM 776 CG LYS A 54 -10.011 6.465 4.187 1.00 0.00 C ATOM 777 CD LYS A 54 -10.996 7.072 5.187 1.00 0.00 C ATOM 778 CE LYS A 54 -10.358 7.572 6.485 1.00 0.00 C ATOM 779 NZ LYS A 54 -11.404 7.853 7.494 1.00 0.00 N ATOM 0 H LYS A 54 -7.324 8.775 2.422 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.390 6.103 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.380 7.830 4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.499 8.288 3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.575 6.040 3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.487 5.641 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.514 7.903 4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.751 6.325 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.664 6.825 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.779 8.475 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.959 8.192 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.051 8.582 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.939 6.983 7.691 1.00 0.00 H new ATOM 793 N GLY A 55 -8.672 4.762 1.555 1.00 0.00 N ATOM 794 CA GLY A 55 -9.294 3.867 0.630 1.00 0.00 C ATOM 795 C GLY A 55 -8.671 3.734 -0.716 1.00 0.00 C ATOM 796 O GLY A 55 -9.282 3.168 -1.621 1.00 0.00 O ATOM 0 H GLY A 55 -8.128 4.276 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.325 2.878 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.327 4.187 0.493 1.00 0.00 H new ATOM 800 N ASP A 56 -7.415 4.181 -0.899 1.00 0.00 N ATOM 801 CA ASP A 56 -6.636 3.873 -2.058 1.00 0.00 C ATOM 802 C ASP A 56 -6.124 2.475 -2.005 1.00 0.00 C ATOM 803 O ASP A 56 -6.032 1.855 -0.946 1.00 0.00 O ATOM 804 CB ASP A 56 -5.481 4.876 -2.219 1.00 0.00 C ATOM 805 CG ASP A 56 -5.966 6.240 -2.690 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.113 6.350 -3.199 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.171 7.211 -2.574 1.00 0.00 O ATOM 0 H ASP A 56 -6.929 4.771 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.283 3.957 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.962 4.986 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.757 4.483 -2.933 1.00 0.00 H new ATOM 812 N ARG A 57 -5.833 1.876 -3.173 1.00 0.00 N ATOM 813 CA ARG A 57 -5.455 0.502 -3.289 1.00 0.00 C ATOM 814 C ARG A 57 -4.255 0.387 -4.164 1.00 0.00 C ATOM 815 O ARG A 57 -4.222 0.955 -5.256 1.00 0.00 O ATOM 816 CB ARG A 57 -6.580 -0.358 -3.888 1.00 0.00 C ATOM 817 CG ARG A 57 -7.769 -0.576 -2.950 1.00 0.00 C ATOM 818 CD ARG A 57 -8.883 0.470 -3.038 1.00 0.00 C ATOM 819 NE ARG A 57 -9.819 0.082 -4.131 1.00 0.00 N ATOM 820 CZ ARG A 57 -9.989 0.785 -5.288 1.00 0.00 C ATOM 821 NH1 ARG A 57 -9.224 1.862 -5.628 1.00 0.00 N ATOM 822 NH2 ARG A 57 -10.943 0.360 -6.168 1.00 0.00 N ATOM 0 H ARG A 57 -5.862 2.365 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.241 0.138 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.936 0.115 -4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.170 -1.328 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.198 -1.556 -3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.400 -0.602 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.416 0.535 -2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.461 1.456 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.370 -0.767 -4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.482 2.178 -5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.394 2.352 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.506 -0.463 -5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.093 0.866 -7.041 1.00 0.00 H new ATOM 836 N VAL A 58 -3.201 -0.345 -3.763 1.00 0.00 N ATOM 837 CA VAL A 58 -1.997 -0.441 -4.529 1.00 0.00 C ATOM 838 C VAL A 58 -2.052 -1.467 -5.608 1.00 0.00 C ATOM 839 O VAL A 58 -2.770 -2.462 -5.527 1.00 0.00 O ATOM 840 CB VAL A 58 -0.771 -0.657 -3.695 1.00 0.00 C ATOM 841 CG1 VAL A 58 -0.624 0.498 -2.688 1.00 0.00 C ATOM 842 CG2 VAL A 58 -0.816 -2.005 -2.955 1.00 0.00 C ATOM 0 H VAL A 58 -3.184 -0.879 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.920 0.539 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 58 0.093 -0.678 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.268 0.341 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.535 1.441 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.501 0.531 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.090 -2.125 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.686 -2.031 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.884 -2.816 -3.680 1.00 0.00 H new ATOM 852 N LEU A 59 -1.260 -1.269 -6.677 1.00 0.00 N ATOM 853 CA LEU A 59 -1.177 -2.117 -7.825 1.00 0.00 C ATOM 854 C LEU A 59 0.229 -2.602 -7.920 1.00 0.00 C ATOM 855 O LEU A 59 0.536 -3.697 -7.453 1.00 0.00 O ATOM 856 CB LEU A 59 -1.569 -1.386 -9.121 1.00 0.00 C ATOM 857 CG LEU A 59 -3.038 -1.516 -9.558 1.00 0.00 C ATOM 858 CD1 LEU A 59 -4.061 -1.223 -8.446 1.00 0.00 C ATOM 859 CD2 LEU A 59 -3.298 -0.586 -10.755 1.00 0.00 C ATOM 0 H LEU A 59 -0.637 -0.464 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.879 -2.943 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.340 -0.327 -8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.938 -1.758 -9.928 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.182 -2.562 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.070 -1.338 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.912 -1.920 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.926 -0.203 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.339 -0.676 -11.067 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.094 0.445 -10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.646 -0.867 -11.582 1.00 0.00 H new ATOM 871 N ALA A 60 1.126 -1.813 -8.537 1.00 0.00 N ATOM 872 CA ALA A 60 2.485 -2.186 -8.785 1.00 0.00 C ATOM 873 C ALA A 60 3.451 -1.624 -7.799 1.00 0.00 C ATOM 874 O ALA A 60 3.301 -0.488 -7.352 1.00 0.00 O ATOM 875 CB ALA A 60 2.913 -1.782 -10.207 1.00 0.00 C ATOM 0 H ALA A 60 0.897 -0.879 -8.877 1.00 0.00 H new ATOM 0 HA ALA A 60 2.513 -3.270 -8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.950 -2.076 -10.372 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.274 -2.281 -10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.819 -0.702 -10.322 1.00 0.00 H new ATOM 881 N VAL A 61 4.490 -2.401 -7.446 1.00 0.00 N ATOM 882 CA VAL A 61 5.544 -2.018 -6.559 1.00 0.00 C ATOM 883 C VAL A 61 6.835 -2.101 -7.299 1.00 0.00 C ATOM 884 O VAL A 61 7.480 -3.147 -7.335 1.00 0.00 O ATOM 885 CB VAL A 61 5.612 -2.878 -5.332 1.00 0.00 C ATOM 886 CG1 VAL A 61 6.656 -2.324 -4.347 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.230 -2.927 -4.661 1.00 0.00 C ATOM 0 H VAL A 61 4.600 -3.351 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 61 5.346 -1.001 -6.220 1.00 0.00 H new ATOM 0 HB VAL A 61 5.909 -3.886 -5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.694 -2.959 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.635 -2.309 -4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.379 -1.311 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.280 -3.552 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.926 -1.919 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.502 -3.345 -5.357 1.00 0.00 H new ATOM 897 N ASN A 62 7.265 -0.997 -7.936 1.00 0.00 N ATOM 898 CA ASN A 62 8.447 -0.897 -8.737 1.00 0.00 C ATOM 899 C ASN A 62 8.455 -1.879 -9.857 1.00 0.00 C ATOM 900 O ASN A 62 9.259 -2.807 -9.929 1.00 0.00 O ATOM 901 CB ASN A 62 9.700 -0.817 -7.849 1.00 0.00 C ATOM 902 CG ASN A 62 10.992 -0.515 -8.594 1.00 0.00 C ATOM 903 OD1 ASN A 62 11.688 -1.405 -9.080 1.00 0.00 O ATOM 904 ND2 ASN A 62 11.365 0.790 -8.677 1.00 0.00 N ATOM 0 H ASN A 62 6.753 -0.116 -7.888 1.00 0.00 H new ATOM 0 HA ASN A 62 8.455 0.050 -9.276 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.544 -0.047 -7.094 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.815 -1.763 -7.320 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.234 1.043 -9.148 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.776 1.516 -8.269 1.00 0.00 H new ATOM 911 N GLY A 63 7.495 -1.714 -10.785 1.00 0.00 N ATOM 912 CA GLY A 63 7.289 -2.578 -11.905 1.00 0.00 C ATOM 913 C GLY A 63 6.227 -3.598 -11.681 1.00 0.00 C ATOM 914 O GLY A 63 5.221 -3.631 -12.389 1.00 0.00 O ATOM 0 H GLY A 63 6.831 -0.941 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.026 -1.976 -12.775 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.225 -3.085 -12.140 1.00 0.00 H new ATOM 918 N VAL A 64 6.407 -4.491 -10.692 1.00 0.00 N ATOM 919 CA VAL A 64 5.639 -5.691 -10.577 1.00 0.00 C ATOM 920 C VAL A 64 4.332 -5.493 -9.889 1.00 0.00 C ATOM 921 O VAL A 64 4.230 -4.843 -8.851 1.00 0.00 O ATOM 922 CB VAL A 64 6.391 -6.801 -9.903 1.00 0.00 C ATOM 923 CG1 VAL A 64 7.569 -7.216 -10.800 1.00 0.00 C ATOM 924 CG2 VAL A 64 6.909 -6.407 -8.509 1.00 0.00 C ATOM 0 H VAL A 64 7.103 -4.376 -9.955 1.00 0.00 H new ATOM 0 HA VAL A 64 5.438 -5.980 -11.609 1.00 0.00 H new ATOM 0 HB VAL A 64 5.702 -7.633 -9.758 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.124 -8.023 -10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.190 -7.558 -11.763 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.229 -6.362 -10.952 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.445 -7.248 -8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.582 -5.555 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.067 -6.139 -7.870 1.00 0.00 H new ATOM 934 N SER A 65 3.251 -6.055 -10.458 1.00 0.00 N ATOM 935 CA SER A 65 1.932 -6.003 -9.907 1.00 0.00 C ATOM 936 C SER A 65 1.796 -6.983 -8.794 1.00 0.00 C ATOM 937 O SER A 65 2.071 -8.168 -8.975 1.00 0.00 O ATOM 938 CB SER A 65 0.855 -6.271 -10.973 1.00 0.00 C ATOM 939 OG SER A 65 -0.461 -6.028 -10.497 1.00 0.00 O ATOM 0 H SER A 65 3.298 -6.567 -11.339 1.00 0.00 H new ATOM 0 HA SER A 65 1.780 -4.994 -9.523 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.045 -5.640 -11.842 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.931 -7.306 -11.308 1.00 0.00 H new ATOM 0 HG SER A 65 -1.106 -6.211 -11.211 1.00 0.00 H new ATOM 945 N LEU A 66 1.384 -6.543 -7.591 1.00 0.00 N ATOM 946 CA LEU A 66 1.524 -7.281 -6.375 1.00 0.00 C ATOM 947 C LEU A 66 0.414 -8.242 -6.118 1.00 0.00 C ATOM 948 O LEU A 66 -0.169 -8.341 -5.041 1.00 0.00 O ATOM 949 CB LEU A 66 1.687 -6.278 -5.222 1.00 0.00 C ATOM 950 CG LEU A 66 2.352 -6.818 -3.944 1.00 0.00 C ATOM 951 CD1 LEU A 66 3.843 -7.137 -4.147 1.00 0.00 C ATOM 952 CD2 LEU A 66 2.180 -5.809 -2.797 1.00 0.00 C ATOM 0 H LEU A 66 0.935 -5.636 -7.461 1.00 0.00 H new ATOM 0 HA LEU A 66 2.409 -7.911 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.273 -5.433 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.701 -5.894 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 66 1.854 -7.754 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.264 -7.515 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.951 -7.892 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.372 -6.231 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.653 -6.198 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.646 -4.863 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.118 -5.649 -2.609 1.00 0.00 H new ATOM 964 N GLU A 67 0.067 -9.030 -7.151 1.00 0.00 N ATOM 965 CA GLU A 67 -0.757 -10.197 -7.082 1.00 0.00 C ATOM 966 C GLU A 67 -0.086 -11.331 -6.389 1.00 0.00 C ATOM 967 O GLU A 67 1.082 -11.627 -6.638 1.00 0.00 O ATOM 968 CB GLU A 67 -1.224 -10.630 -8.483 1.00 0.00 C ATOM 969 CG GLU A 67 -1.973 -9.511 -9.209 1.00 0.00 C ATOM 970 CD GLU A 67 -2.502 -9.976 -10.559 1.00 0.00 C ATOM 971 OE1 GLU A 67 -1.685 -10.261 -11.474 1.00 0.00 O ATOM 972 OE2 GLU A 67 -3.749 -10.045 -10.725 1.00 0.00 O ATOM 0 H GLU A 67 0.385 -8.837 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.629 -9.923 -6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.360 -10.932 -9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.872 -11.502 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.803 -9.167 -8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.307 -8.660 -9.352 1.00 0.00 H new ATOM 979 N GLY A 68 -0.796 -12.021 -5.479 1.00 0.00 N ATOM 980 CA GLY A 68 -0.333 -13.208 -4.828 1.00 0.00 C ATOM 981 C GLY A 68 0.197 -12.984 -3.453 1.00 0.00 C ATOM 982 O GLY A 68 0.401 -13.931 -2.697 1.00 0.00 O ATOM 0 H GLY A 68 -1.731 -11.741 -5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.153 -13.924 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.449 -13.662 -5.437 1.00 0.00 H new ATOM 986 N ALA A 69 0.471 -11.723 -3.071 1.00 0.00 N ATOM 987 CA ALA A 69 1.053 -11.389 -1.808 1.00 0.00 C ATOM 988 C ALA A 69 0.106 -11.466 -0.661 1.00 0.00 C ATOM 989 O ALA A 69 -1.045 -11.039 -0.737 1.00 0.00 O ATOM 990 CB ALA A 69 1.667 -9.981 -1.870 1.00 0.00 C ATOM 0 H ALA A 69 0.282 -10.911 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 69 1.820 -12.141 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.108 -9.734 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.439 -9.954 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.890 -9.255 -2.110 1.00 0.00 H new ATOM 996 N THR A 70 0.583 -12.011 0.473 1.00 0.00 N ATOM 997 CA THR A 70 -0.031 -11.940 1.762 1.00 0.00 C ATOM 998 C THR A 70 0.531 -10.783 2.514 1.00 0.00 C ATOM 999 O THR A 70 1.461 -10.114 2.069 1.00 0.00 O ATOM 1000 CB THR A 70 0.181 -13.189 2.568 1.00 0.00 C ATOM 1001 OG1 THR A 70 1.531 -13.621 2.496 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.709 -14.307 1.999 1.00 0.00 C ATOM 0 H THR A 70 1.457 -12.537 0.489 1.00 0.00 H new ATOM 0 HA THR A 70 -1.103 -11.821 1.604 1.00 0.00 H new ATOM 0 HB THR A 70 -0.070 -12.973 3.606 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.643 -14.435 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.562 -15.219 2.578 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.755 -14.005 2.057 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.442 -14.491 0.958 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.014 -10.478 3.706 1.00 0.00 N ATOM 1011 CA HIS A 71 0.286 -9.280 4.427 1.00 0.00 C ATOM 1012 C HIS A 71 1.707 -9.098 4.838 1.00 0.00 C ATOM 1013 O HIS A 71 2.233 -7.988 4.774 1.00 0.00 O ATOM 1014 CB HIS A 71 -0.632 -9.088 5.646 1.00 0.00 C ATOM 1015 CG HIS A 71 -0.843 -7.661 6.056 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.620 -6.595 5.209 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.402 -7.120 7.172 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -1.045 -5.473 5.850 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.526 -5.751 7.047 1.00 0.00 N ATOM 0 H HIS A 71 -0.683 -11.083 4.182 1.00 0.00 H new ATOM 0 HA HIS A 71 0.093 -8.504 3.686 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.601 -9.536 5.427 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.211 -9.635 6.490 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.708 -7.686 8.040 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.995 -4.479 5.431 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.907 -5.097 7.731 1.00 0.00 H new ATOM 1027 N LYS A 72 2.411 -10.165 5.256 1.00 0.00 N ATOM 1028 CA LYS A 72 3.781 -10.086 5.660 1.00 0.00 C ATOM 1029 C LYS A 72 4.727 -9.874 4.529 1.00 0.00 C ATOM 1030 O LYS A 72 5.787 -9.266 4.670 1.00 0.00 O ATOM 1031 CB LYS A 72 4.193 -11.309 6.497 1.00 0.00 C ATOM 1032 CG LYS A 72 5.568 -11.162 7.151 1.00 0.00 C ATOM 1033 CD LYS A 72 5.774 -12.081 8.358 1.00 0.00 C ATOM 1034 CE LYS A 72 7.002 -11.737 9.203 1.00 0.00 C ATOM 1035 NZ LYS A 72 6.867 -10.373 9.762 1.00 0.00 N ATOM 0 H LYS A 72 2.019 -11.105 5.315 1.00 0.00 H new ATOM 0 HA LYS A 72 3.850 -9.196 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.446 -11.477 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.195 -12.193 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.338 -11.372 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.703 -10.127 7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.887 -12.037 8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.864 -13.109 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.112 -12.461 10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.903 -11.801 8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.502 -10.268 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.120 -9.673 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.884 -10.218 10.065 1.00 0.00 H new ATOM 1049 N GLN A 73 4.363 -10.325 3.315 1.00 0.00 N ATOM 1050 CA GLN A 73 5.118 -10.080 2.125 1.00 0.00 C ATOM 1051 C GLN A 73 4.879 -8.702 1.613 1.00 0.00 C ATOM 1052 O GLN A 73 5.798 -7.984 1.221 1.00 0.00 O ATOM 1053 CB GLN A 73 4.771 -11.143 1.070 1.00 0.00 C ATOM 1054 CG GLN A 73 5.045 -12.574 1.539 1.00 0.00 C ATOM 1055 CD GLN A 73 6.494 -12.765 1.964 1.00 0.00 C ATOM 1056 OE1 GLN A 73 7.435 -12.367 1.280 1.00 0.00 O ATOM 1057 NE2 GLN A 73 6.709 -13.402 3.147 1.00 0.00 N ATOM 0 H GLN A 73 3.519 -10.876 3.156 1.00 0.00 H new ATOM 0 HA GLN A 73 6.181 -10.153 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.718 -11.051 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.347 -10.948 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.387 -12.814 2.374 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.808 -13.271 0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.918 -13.726 3.703 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.662 -13.555 3.478 1.00 0.00 H new ATOM 1066 N ALA A 74 3.616 -8.241 1.649 1.00 0.00 N ATOM 1067 CA ALA A 74 3.211 -6.924 1.268 1.00 0.00 C ATOM 1068 C ALA A 74 3.773 -5.822 2.099 1.00 0.00 C ATOM 1069 O ALA A 74 4.157 -4.778 1.576 1.00 0.00 O ATOM 1070 CB ALA A 74 1.675 -6.849 1.277 1.00 0.00 C ATOM 0 H ALA A 74 2.836 -8.819 1.961 1.00 0.00 H new ATOM 0 HA ALA A 74 3.618 -6.764 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.358 -5.847 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.271 -7.575 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.306 -7.071 2.278 1.00 0.00 H new ATOM 1076 N VAL A 75 3.871 -5.980 3.432 1.00 0.00 N ATOM 1077 CA VAL A 75 4.472 -5.002 4.284 1.00 0.00 C ATOM 1078 C VAL A 75 5.932 -4.835 4.037 1.00 0.00 C ATOM 1079 O VAL A 75 6.417 -3.711 3.920 1.00 0.00 O ATOM 1080 CB VAL A 75 4.153 -5.188 5.738 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.767 -6.463 6.339 1.00 0.00 C ATOM 1082 CG2 VAL A 75 4.605 -3.977 6.570 1.00 0.00 C ATOM 0 H VAL A 75 3.526 -6.803 3.927 1.00 0.00 H new ATOM 0 HA VAL A 75 4.002 -4.059 4.003 1.00 0.00 H new ATOM 0 HB VAL A 75 3.068 -5.287 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.497 -6.535 7.393 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.388 -7.335 5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.852 -6.424 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.359 -4.144 7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.682 -3.846 6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.095 -3.081 6.216 1.00 0.00 H new ATOM 1092 N GLU A 76 6.684 -5.940 3.883 1.00 0.00 N ATOM 1093 CA GLU A 76 8.104 -5.972 3.713 1.00 0.00 C ATOM 1094 C GLU A 76 8.570 -5.366 2.434 1.00 0.00 C ATOM 1095 O GLU A 76 9.487 -4.546 2.408 1.00 0.00 O ATOM 1096 CB GLU A 76 8.571 -7.434 3.801 1.00 0.00 C ATOM 1097 CG GLU A 76 10.060 -7.654 4.081 1.00 0.00 C ATOM 1098 CD GLU A 76 10.393 -7.753 5.563 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.769 -8.581 6.279 1.00 0.00 O ATOM 1100 OE2 GLU A 76 11.329 -7.045 6.020 1.00 0.00 O ATOM 0 H GLU A 76 6.271 -6.873 3.877 1.00 0.00 H new ATOM 0 HA GLU A 76 8.541 -5.365 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.998 -7.930 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.322 -7.930 2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.384 -8.568 3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.629 -6.833 3.643 1.00 0.00 H new ATOM 1107 N THR A 77 7.922 -5.718 1.310 1.00 0.00 N ATOM 1108 CA THR A 77 8.234 -5.269 -0.012 1.00 0.00 C ATOM 1109 C THR A 77 8.045 -3.806 -0.227 1.00 0.00 C ATOM 1110 O THR A 77 8.779 -3.187 -0.996 1.00 0.00 O ATOM 1111 CB THR A 77 7.478 -5.991 -1.087 1.00 0.00 C ATOM 1112 OG1 THR A 77 6.088 -6.072 -0.811 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.991 -7.435 -1.224 1.00 0.00 C ATOM 0 H THR A 77 7.128 -6.358 1.326 1.00 0.00 H new ATOM 0 HA THR A 77 9.296 -5.502 -0.091 1.00 0.00 H new ATOM 0 HB THR A 77 7.636 -5.419 -2.002 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.926 -6.777 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.433 -7.947 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.050 -7.422 -1.482 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.854 -7.961 -0.279 1.00 0.00 H new ATOM 1121 N LEU A 78 7.054 -3.195 0.446 1.00 0.00 N ATOM 1122 CA LEU A 78 6.776 -1.794 0.385 1.00 0.00 C ATOM 1123 C LEU A 78 7.454 -0.991 1.441 1.00 0.00 C ATOM 1124 O LEU A 78 7.585 0.226 1.315 1.00 0.00 O ATOM 1125 CB LEU A 78 5.251 -1.590 0.434 1.00 0.00 C ATOM 1126 CG LEU A 78 4.582 -1.812 -0.932 1.00 0.00 C ATOM 1127 CD1 LEU A 78 3.086 -2.149 -0.817 1.00 0.00 C ATOM 1128 CD2 LEU A 78 4.765 -0.565 -1.815 1.00 0.00 C ATOM 0 H LEU A 78 6.417 -3.701 1.061 1.00 0.00 H new ATOM 0 HA LEU A 78 7.185 -1.424 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.819 -2.277 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.034 -0.580 0.781 1.00 0.00 H new ATOM 0 HG LEU A 78 5.072 -2.672 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.668 -2.295 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.962 -3.062 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.565 -1.329 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.288 -0.730 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.308 0.296 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.828 -0.377 -1.963 1.00 0.00 H new ATOM 1140 N ARG A 79 7.956 -1.618 2.519 1.00 0.00 N ATOM 1141 CA ARG A 79 8.829 -0.981 3.457 1.00 0.00 C ATOM 1142 C ARG A 79 10.211 -0.854 2.917 1.00 0.00 C ATOM 1143 O ARG A 79 10.773 0.240 2.871 1.00 0.00 O ATOM 1144 CB ARG A 79 8.902 -1.736 4.795 1.00 0.00 C ATOM 1145 CG ARG A 79 7.800 -1.343 5.780 1.00 0.00 C ATOM 1146 CD ARG A 79 7.968 -2.041 7.132 1.00 0.00 C ATOM 1147 NE ARG A 79 7.028 -1.393 8.089 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.279 -1.257 9.424 1.00 0.00 C ATOM 1149 NH1 ARG A 79 8.364 -1.817 10.034 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.450 -0.461 10.159 1.00 0.00 N ATOM 0 H ARG A 79 7.751 -2.591 2.745 1.00 0.00 H new ATOM 0 HA ARG A 79 8.404 0.008 3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.841 -2.807 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.872 -1.550 5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.811 -0.263 5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.828 -1.598 5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.752 -3.106 7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.996 -1.953 7.484 1.00 0.00 H new ATOM 0 HE ARG A 79 6.146 -1.030 7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.029 -2.365 9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.509 -1.688 11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.667 0.014 9.709 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.613 -0.340 11.159 1.00 0.00 H new ATOM 1164 N ASN A 80 10.831 -1.967 2.488 1.00 0.00 N ATOM 1165 CA ASN A 80 12.195 -1.982 2.058 1.00 0.00 C ATOM 1166 C ASN A 80 12.325 -1.752 0.591 1.00 0.00 C ATOM 1167 O ASN A 80 12.791 -2.592 -0.178 1.00 0.00 O ATOM 1168 CB ASN A 80 12.903 -3.280 2.482 1.00 0.00 C ATOM 1169 CG ASN A 80 13.118 -3.259 3.988 1.00 0.00 C ATOM 1170 OD1 ASN A 80 12.467 -3.960 4.762 1.00 0.00 O ATOM 1171 ND2 ASN A 80 14.073 -2.405 4.442 1.00 0.00 N ATOM 0 H ASN A 80 10.374 -2.878 2.439 1.00 0.00 H new ATOM 0 HA ASN A 80 12.692 -1.151 2.557 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.303 -4.145 2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.859 -3.373 1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.262 -2.336 5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 80 14.601 -1.833 3.783 1.00 0.00 H new ATOM 1178 N THR A 81 11.938 -0.537 0.165 1.00 0.00 N ATOM 1179 CA THR A 81 12.107 0.006 -1.147 1.00 0.00 C ATOM 1180 C THR A 81 13.443 0.657 -1.259 1.00 0.00 C ATOM 1181 O THR A 81 14.292 0.272 -2.061 1.00 0.00 O ATOM 1182 CB THR A 81 11.028 0.992 -1.481 1.00 0.00 C ATOM 1183 OG1 THR A 81 10.813 1.929 -0.435 1.00 0.00 O ATOM 1184 CG2 THR A 81 9.712 0.215 -1.652 1.00 0.00 C ATOM 0 H THR A 81 11.469 0.118 0.790 1.00 0.00 H new ATOM 0 HA THR A 81 12.040 -0.816 -1.860 1.00 0.00 H new ATOM 0 HB THR A 81 11.333 1.526 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.104 2.553 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.908 0.910 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.820 -0.512 -2.457 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.473 -0.305 -0.724 1.00 0.00 H new ATOM 1192 N GLY A 82 13.707 1.655 -0.396 1.00 0.00 N ATOM 1193 CA GLY A 82 14.953 2.349 -0.287 1.00 0.00 C ATOM 1194 C GLY A 82 14.791 3.797 -0.603 1.00 0.00 C ATOM 1195 O GLY A 82 13.942 4.477 -0.027 1.00 0.00 O ATOM 0 H GLY A 82 13.009 1.997 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.348 2.236 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.681 1.905 -0.966 1.00 0.00 H new ATOM 1199 N GLN A 83 15.617 4.347 -1.511 1.00 0.00 N ATOM 1200 CA GLN A 83 15.660 5.760 -1.732 1.00 0.00 C ATOM 1201 C GLN A 83 14.564 6.226 -2.627 1.00 0.00 C ATOM 1202 O GLN A 83 13.925 7.242 -2.359 1.00 0.00 O ATOM 1203 CB GLN A 83 17.029 6.198 -2.276 1.00 0.00 C ATOM 1204 CG GLN A 83 17.211 7.703 -2.479 1.00 0.00 C ATOM 1205 CD GLN A 83 16.894 8.489 -1.215 1.00 0.00 C ATOM 1206 OE1 GLN A 83 17.409 8.217 -0.132 1.00 0.00 O ATOM 1207 NE2 GLN A 83 15.981 9.491 -1.327 1.00 0.00 N ATOM 0 H GLN A 83 16.258 3.810 -2.095 1.00 0.00 H new ATOM 0 HA GLN A 83 15.508 6.233 -0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.801 5.846 -1.591 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.197 5.698 -3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.237 7.906 -2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.564 8.041 -3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 83 15.564 9.702 -2.234 1.00 0.00 H new ATOM 0 HE22 GLN A 83 15.713 10.031 -0.504 1.00 0.00 H new ATOM 1216 N VAL A 84 14.298 5.502 -3.729 1.00 0.00 N ATOM 1217 CA VAL A 84 13.339 5.911 -4.708 1.00 0.00 C ATOM 1218 C VAL A 84 12.088 5.110 -4.597 1.00 0.00 C ATOM 1219 O VAL A 84 12.100 3.916 -4.300 1.00 0.00 O ATOM 1220 CB VAL A 84 13.921 5.929 -6.090 1.00 0.00 C ATOM 1221 CG1 VAL A 84 14.069 4.522 -6.692 1.00 0.00 C ATOM 1222 CG2 VAL A 84 13.109 6.865 -7.001 1.00 0.00 C ATOM 0 H VAL A 84 14.757 4.617 -3.944 1.00 0.00 H new ATOM 0 HA VAL A 84 13.060 6.944 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 84 14.934 6.323 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.495 4.597 -7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.727 3.924 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.090 4.046 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.544 6.867 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.078 6.516 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.129 7.876 -6.594 1.00 0.00 H new ATOM 1232 N VAL A 85 10.933 5.776 -4.777 1.00 0.00 N ATOM 1233 CA VAL A 85 9.638 5.247 -4.479 1.00 0.00 C ATOM 1234 C VAL A 85 8.830 5.219 -5.731 1.00 0.00 C ATOM 1235 O VAL A 85 8.296 6.239 -6.162 1.00 0.00 O ATOM 1236 CB VAL A 85 8.974 6.085 -3.427 1.00 0.00 C ATOM 1237 CG1 VAL A 85 7.538 5.613 -3.140 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.803 6.037 -2.133 1.00 0.00 C ATOM 0 H VAL A 85 10.901 6.726 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 85 9.727 4.232 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 85 8.919 7.108 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.093 6.247 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.945 5.677 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.557 4.580 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.320 6.646 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.874 5.007 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.803 6.424 -2.327 1.00 0.00 H new ATOM 1248 N HIS A 86 8.700 4.046 -6.376 1.00 0.00 N ATOM 1249 CA HIS A 86 7.901 3.893 -7.553 1.00 0.00 C ATOM 1250 C HIS A 86 6.784 2.935 -7.318 1.00 0.00 C ATOM 1251 O HIS A 86 7.009 1.745 -7.101 1.00 0.00 O ATOM 1252 CB HIS A 86 8.705 3.395 -8.766 1.00 0.00 C ATOM 1253 CG HIS A 86 9.721 4.403 -9.209 1.00 0.00 C ATOM 1254 ND1 HIS A 86 11.063 4.205 -8.956 1.00 0.00 N ATOM 1255 CD2 HIS A 86 9.516 5.607 -9.808 1.00 0.00 C ATOM 1256 CE1 HIS A 86 11.654 5.297 -9.402 1.00 0.00 C ATOM 1257 NE2 HIS A 86 10.765 6.184 -9.925 1.00 0.00 N ATOM 0 H HIS A 86 9.159 3.186 -6.074 1.00 0.00 H new ATOM 0 HA HIS A 86 7.517 4.889 -7.775 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.206 2.461 -8.512 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.025 3.178 -9.589 1.00 0.00 H new ATOM 0 HD2 HIS A 86 8.572 6.025 -10.126 1.00 0.00 H new ATOM 0 HE1 HIS A 86 12.720 5.467 -9.357 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.979 7.097 -10.326 1.00 0.00 H new ATOM 1265 N LEU A 87 5.526 3.408 -7.371 1.00 0.00 N ATOM 1266 CA LEU A 87 4.394 2.547 -7.216 1.00 0.00 C ATOM 1267 C LEU A 87 3.236 3.042 -8.012 1.00 0.00 C ATOM 1268 O LEU A 87 3.142 4.219 -8.356 1.00 0.00 O ATOM 1269 CB LEU A 87 3.991 2.284 -5.755 1.00 0.00 C ATOM 1270 CG LEU A 87 3.412 3.458 -4.945 1.00 0.00 C ATOM 1271 CD1 LEU A 87 2.669 2.927 -3.708 1.00 0.00 C ATOM 1272 CD2 LEU A 87 4.479 4.469 -4.493 1.00 0.00 C ATOM 0 H LEU A 87 5.292 4.389 -7.522 1.00 0.00 H new ATOM 0 HA LEU A 87 4.709 1.579 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.255 1.480 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.870 1.915 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 87 2.728 3.983 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.263 3.764 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.856 2.274 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.362 2.366 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.004 5.271 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.213 3.966 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.977 4.888 -5.367 1.00 0.00 H new ATOM 1284 N LEU A 88 2.300 2.135 -8.346 1.00 0.00 N ATOM 1285 CA LEU A 88 1.103 2.452 -9.061 1.00 0.00 C ATOM 1286 C LEU A 88 -0.026 2.046 -8.179 1.00 0.00 C ATOM 1287 O LEU A 88 0.061 1.066 -7.440 1.00 0.00 O ATOM 1288 CB LEU A 88 0.937 1.711 -10.399 1.00 0.00 C ATOM 1289 CG LEU A 88 1.600 2.363 -11.624 1.00 0.00 C ATOM 1290 CD1 LEU A 88 3.138 2.382 -11.580 1.00 0.00 C ATOM 1291 CD2 LEU A 88 1.137 1.646 -12.903 1.00 0.00 C ATOM 0 H LEU A 88 2.380 1.146 -8.110 1.00 0.00 H new ATOM 0 HA LEU A 88 1.134 3.514 -9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.341 0.705 -10.286 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.129 1.605 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 88 1.283 3.406 -11.616 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.522 2.859 -12.482 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.470 2.940 -10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.513 1.360 -11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.608 2.109 -13.770 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.421 0.595 -12.854 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.054 1.725 -12.993 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.127 2.819 -8.212 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.241 2.658 -7.330 1.00 0.00 C ATOM 1305 C LEU A 89 -3.510 2.847 -8.088 1.00 0.00 C ATOM 1306 O LEU A 89 -3.529 3.495 -9.133 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.238 3.704 -6.203 1.00 0.00 C ATOM 1308 CG LEU A 89 -0.914 3.853 -5.434 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -0.013 4.949 -6.028 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -1.215 4.217 -3.970 1.00 0.00 C ATOM 0 H LEU A 89 -1.245 3.583 -8.877 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.164 1.658 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.500 4.672 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.023 3.447 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.388 2.901 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.909 5.015 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.224 4.703 -7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.533 5.906 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.279 4.323 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.765 5.157 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.814 3.429 -3.515 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.632 2.326 -7.563 1.00 0.00 N ATOM 1323 CA GLU A 90 -5.958 2.619 -8.011 1.00 0.00 C ATOM 1324 C GLU A 90 -6.583 3.470 -6.959 1.00 0.00 C ATOM 1325 O GLU A 90 -6.605 3.111 -5.783 1.00 0.00 O ATOM 1326 CB GLU A 90 -6.772 1.330 -8.214 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.087 1.521 -8.973 1.00 0.00 C ATOM 1328 CD GLU A 90 -8.933 0.255 -8.967 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -8.389 -0.855 -9.209 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -10.165 0.368 -8.726 1.00 0.00 O ATOM 0 H GLU A 90 -4.614 1.666 -6.786 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.935 3.131 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.158 0.609 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.990 0.896 -7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.651 2.337 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.874 1.811 -10.002 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.102 4.654 -7.330 1.00 0.00 N ATOM 1338 CA LYS A 91 -7.659 5.582 -6.397 1.00 0.00 C ATOM 1339 C LYS A 91 -8.996 5.147 -5.902 1.00 0.00 C ATOM 1340 O LYS A 91 -9.745 4.473 -6.607 1.00 0.00 O ATOM 1341 CB LYS A 91 -7.703 6.991 -7.011 1.00 0.00 C ATOM 1342 CG LYS A 91 -7.852 8.130 -6.000 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.681 9.511 -6.636 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.227 9.844 -6.979 1.00 0.00 C ATOM 1345 NZ LYS A 91 -6.146 11.132 -7.703 1.00 0.00 N ATOM 0 H LYS A 91 -7.135 4.973 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.009 5.612 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.790 7.150 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.534 7.039 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.835 8.069 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.114 8.006 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.282 9.562 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.069 10.268 -5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.635 9.896 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.800 9.049 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.153 11.342 -7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.695 11.070 -8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.534 11.891 -7.107 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.319 5.456 -4.634 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.486 4.983 -3.958 1.00 0.00 C ATOM 1361 C GLY A 92 -11.780 5.630 -4.317 1.00 0.00 C ATOM 1362 O GLY A 92 -12.134 5.847 -5.475 1.00 0.00 O ATOM 0 H GLY A 92 -8.740 6.063 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.577 3.913 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.331 5.106 -2.886 1.00 0.00 H new ATOM 1366 N GLN A 93 -12.584 5.945 -3.285 1.00 0.00 N ATOM 1367 CA GLN A 93 -13.916 6.451 -3.415 1.00 0.00 C ATOM 1368 C GLN A 93 -13.927 7.939 -3.365 1.00 0.00 C ATOM 1369 O GLN A 93 -13.126 8.574 -2.680 1.00 0.00 O ATOM 1370 CB GLN A 93 -14.825 5.878 -2.315 1.00 0.00 C ATOM 1371 CG GLN A 93 -14.875 4.349 -2.332 1.00 0.00 C ATOM 1372 CD GLN A 93 -15.695 3.748 -1.199 1.00 0.00 C ATOM 1373 OE1 GLN A 93 -16.640 2.991 -1.412 1.00 0.00 O ATOM 1374 NE2 GLN A 93 -15.300 4.055 0.066 1.00 0.00 N ATOM 0 H GLN A 93 -12.291 5.842 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.300 6.135 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -14.469 6.216 -1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -15.833 6.272 -2.440 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -15.291 4.019 -3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.858 3.961 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.513 4.686 0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.791 3.654 0.865 1.00 0.00 H new ATOM 1383 N SER A 94 -14.856 8.569 -4.107 1.00 0.00 N ATOM 1384 CA SER A 94 -15.030 9.989 -4.092 1.00 0.00 C ATOM 1385 C SER A 94 -15.815 10.421 -2.901 1.00 0.00 C ATOM 1386 O SER A 94 -16.786 9.747 -2.562 1.00 0.00 O ATOM 1387 CB SER A 94 -15.838 10.519 -5.289 1.00 0.00 C ATOM 1388 OG SER A 94 -15.200 10.206 -6.519 1.00 0.00 O ATOM 0 H SER A 94 -15.500 8.082 -4.730 1.00 0.00 H new ATOM 0 HA SER A 94 -14.013 10.381 -4.104 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.839 10.087 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.956 11.599 -5.202 1.00 0.00 H new ATOM 0 HG SER A 94 -15.736 10.553 -7.263 1.00 0.00 H new ATOM 1394 N PRO A 95 -15.514 11.507 -2.254 1.00 0.00 N ATOM 1395 CA PRO A 95 -16.418 12.132 -1.334 1.00 0.00 C ATOM 1396 C PRO A 95 -17.636 12.678 -1.995 1.00 0.00 C ATOM 1397 O PRO A 95 -18.737 12.447 -1.494 1.00 0.00 O ATOM 1398 CB PRO A 95 -15.593 13.234 -0.671 1.00 0.00 C ATOM 1399 CG PRO A 95 -14.148 12.718 -0.760 1.00 0.00 C ATOM 1400 CD PRO A 95 -14.157 12.020 -2.129 1.00 0.00 C ATOM 0 HA PRO A 95 -16.808 11.412 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.710 14.186 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.897 13.393 0.363 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.420 13.528 -0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.907 12.030 0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.918 12.716 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.421 11.217 -2.172 1.00 0.00 H new ATOM 1408 N THR A 96 -17.488 13.423 -3.103 1.00 0.00 N ATOM 1409 CA THR A 96 -18.566 13.854 -3.938 1.00 0.00 C ATOM 1410 C THR A 96 -18.307 13.472 -5.388 1.00 0.00 C ATOM 1411 O THR A 96 -19.156 12.771 -6.000 1.00 0.00 O ATOM 1412 CB THR A 96 -18.909 15.302 -3.755 1.00 0.00 C ATOM 1413 OG1 THR A 96 -19.998 15.701 -4.574 1.00 0.00 O ATOM 1414 CG2 THR A 96 -17.735 16.261 -4.016 1.00 0.00 C ATOM 1415 OXT THR A 96 -17.262 13.867 -5.973 1.00 0.00 O ATOM 0 H THR A 96 -16.576 13.740 -3.432 1.00 0.00 H new ATOM 0 HA THR A 96 -19.462 13.321 -3.620 1.00 0.00 H new ATOM 0 HB THR A 96 -19.182 15.376 -2.702 1.00 0.00 H new ATOM 0 HG1 THR A 96 -20.190 16.650 -4.423 1.00 0.00 H new ATOM 0 HG21 THR A 96 -18.064 17.289 -3.863 1.00 0.00 H new ATOM 0 HG22 THR A 96 -16.920 16.034 -3.328 1.00 0.00 H new ATOM 0 HG23 THR A 96 -17.388 16.140 -5.042 1.00 0.00 H new TER 1423 THR A 96 ATOM 1424 N PHE B 1 7.940 -29.380 12.984 1.00 0.00 N ATOM 1425 CA PHE B 1 7.222 -28.335 13.746 1.00 0.00 C ATOM 1426 C PHE B 1 7.272 -27.001 13.086 1.00 0.00 C ATOM 1427 O PHE B 1 6.264 -26.555 12.539 1.00 0.00 O ATOM 1428 CB PHE B 1 7.744 -28.242 15.190 1.00 0.00 C ATOM 1429 CG PHE B 1 7.482 -29.486 15.968 1.00 0.00 C ATOM 1430 CD1 PHE B 1 6.200 -29.823 16.333 1.00 0.00 C ATOM 1431 CD2 PHE B 1 8.520 -30.315 16.326 1.00 0.00 C ATOM 1432 CE1 PHE B 1 5.950 -30.981 17.031 1.00 0.00 C ATOM 1433 CE2 PHE B 1 8.278 -31.477 17.020 1.00 0.00 C ATOM 1434 CZ PHE B 1 6.992 -31.811 17.372 1.00 0.00 C ATOM 0 H1 PHE B 1 8.153 -30.182 13.611 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.345 -29.706 12.196 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.827 -28.988 12.609 1.00 0.00 H new ATOM 0 HA PHE B 1 6.176 -28.640 13.770 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.816 -28.045 15.174 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.272 -27.397 15.691 1.00 0.00 H new ATOM 0 HD1 PHE B 1 5.380 -29.171 16.069 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.533 -30.051 16.060 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.939 -31.238 17.310 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.098 -32.127 17.288 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.800 -32.724 17.916 1.00 0.00 H new ATOM 1446 N ALA B 2 8.423 -26.306 13.090 1.00 0.00 N ATOM 1447 CA ALA B 2 8.547 -24.983 12.561 1.00 0.00 C ATOM 1448 C ALA B 2 8.940 -24.945 11.124 1.00 0.00 C ATOM 1449 O ALA B 2 9.204 -25.973 10.504 1.00 0.00 O ATOM 1450 CB ALA B 2 9.565 -24.183 13.392 1.00 0.00 C ATOM 0 H ALA B 2 9.294 -26.675 13.473 1.00 0.00 H new ATOM 0 HA ALA B 2 7.556 -24.534 12.625 1.00 0.00 H new ATOM 0 HB1 ALA B 2 9.656 -23.176 12.985 1.00 0.00 H new ATOM 0 HB2 ALA B 2 9.226 -24.127 14.427 1.00 0.00 H new ATOM 0 HB3 ALA B 2 10.535 -24.678 13.354 1.00 0.00 H new ATOM 1456 N ASP B 3 8.971 -23.732 10.544 1.00 0.00 N ATOM 1457 CA ASP B 3 9.339 -23.430 9.195 1.00 0.00 C ATOM 1458 C ASP B 3 8.577 -24.195 8.167 1.00 0.00 C ATOM 1459 O ASP B 3 9.134 -24.940 7.363 1.00 0.00 O ATOM 1460 CB ASP B 3 10.853 -23.529 8.949 1.00 0.00 C ATOM 1461 CG ASP B 3 11.642 -22.582 9.842 1.00 0.00 C ATOM 1462 OD1 ASP B 3 11.429 -21.344 9.752 1.00 0.00 O ATOM 1463 OD2 ASP B 3 12.519 -23.054 10.613 1.00 0.00 O ATOM 0 H ASP B 3 8.717 -22.892 11.064 1.00 0.00 H new ATOM 0 HA ASP B 3 9.052 -22.386 9.071 1.00 0.00 H new ATOM 0 HB2 ASP B 3 11.182 -24.553 9.127 1.00 0.00 H new ATOM 0 HB3 ASP B 3 11.066 -23.303 7.904 1.00 0.00 H new ATOM 1468 N SER B 4 7.240 -24.050 8.166 1.00 0.00 N ATOM 1469 CA SER B 4 6.399 -24.814 7.298 1.00 0.00 C ATOM 1470 C SER B 4 5.186 -24.027 6.937 1.00 0.00 C ATOM 1471 O SER B 4 5.017 -23.600 5.796 1.00 0.00 O ATOM 1472 CB SER B 4 6.003 -26.152 7.942 1.00 0.00 C ATOM 1473 OG SER B 4 5.333 -27.029 7.049 1.00 0.00 O ATOM 0 H SER B 4 6.739 -23.399 8.771 1.00 0.00 H new ATOM 0 HA SER B 4 6.959 -25.036 6.390 1.00 0.00 H new ATOM 0 HB2 SER B 4 6.899 -26.645 8.320 1.00 0.00 H new ATOM 0 HB3 SER B 4 5.360 -25.958 8.800 1.00 0.00 H new ATOM 0 HG SER B 4 5.109 -27.862 7.515 1.00 0.00 H new ATOM 1479 N GLU B 5 4.282 -23.801 7.906 1.00 0.00 N ATOM 1480 CA GLU B 5 2.999 -23.209 7.684 1.00 0.00 C ATOM 1481 C GLU B 5 3.020 -21.766 8.051 1.00 0.00 C ATOM 1482 O GLU B 5 3.892 -21.014 7.614 1.00 0.00 O ATOM 1483 CB GLU B 5 1.934 -24.042 8.417 1.00 0.00 C ATOM 1484 CG GLU B 5 0.530 -23.952 7.817 1.00 0.00 C ATOM 1485 CD GLU B 5 -0.493 -24.805 8.554 1.00 0.00 C ATOM 1486 OE1 GLU B 5 -0.141 -25.489 9.553 1.00 0.00 O ATOM 1487 OE2 GLU B 5 -1.690 -24.759 8.165 1.00 0.00 O ATOM 0 H GLU B 5 4.451 -24.040 8.883 1.00 0.00 H new ATOM 0 HA GLU B 5 2.736 -23.225 6.626 1.00 0.00 H new ATOM 0 HB2 GLU B 5 2.247 -25.086 8.420 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.892 -23.719 9.457 1.00 0.00 H new ATOM 0 HG2 GLU B 5 0.203 -22.912 7.829 1.00 0.00 H new ATOM 0 HG3 GLU B 5 0.568 -24.262 6.773 1.00 0.00 H new ATOM 1494 N ALA B 6 2.066 -21.288 8.870 1.00 0.00 N ATOM 1495 CA ALA B 6 1.901 -19.902 9.181 1.00 0.00 C ATOM 1496 C ALA B 6 2.616 -19.477 10.417 1.00 0.00 C ATOM 1497 O ALA B 6 2.815 -20.269 11.337 1.00 0.00 O ATOM 1498 CB ALA B 6 0.400 -19.604 9.338 1.00 0.00 C ATOM 0 H ALA B 6 1.384 -21.889 9.333 1.00 0.00 H new ATOM 0 HA ALA B 6 2.339 -19.337 8.358 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.261 -18.549 9.576 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -0.117 -19.837 8.407 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -0.010 -20.214 10.143 1.00 0.00 H new ATOM 1504 N ASP B 7 3.015 -18.195 10.485 1.00 0.00 N ATOM 1505 CA ASP B 7 3.696 -17.614 11.600 1.00 0.00 C ATOM 1506 C ASP B 7 2.896 -16.520 12.221 1.00 0.00 C ATOM 1507 O ASP B 7 3.434 -15.500 12.650 1.00 0.00 O ATOM 1508 CB ASP B 7 5.070 -17.059 11.186 1.00 0.00 C ATOM 1509 CG ASP B 7 6.028 -18.146 10.721 1.00 0.00 C ATOM 1510 OD1 ASP B 7 6.179 -19.188 11.414 1.00 0.00 O ATOM 1511 OD2 ASP B 7 6.706 -17.916 9.684 1.00 0.00 O ATOM 0 H ASP B 7 2.855 -17.532 9.727 1.00 0.00 H new ATOM 0 HA ASP B 7 3.835 -18.410 12.331 1.00 0.00 H new ATOM 0 HB2 ASP B 7 4.937 -16.331 10.385 1.00 0.00 H new ATOM 0 HB3 ASP B 7 5.512 -16.528 12.029 1.00 0.00 H new ATOM 1516 N GLU B 8 1.564 -16.691 12.300 1.00 0.00 N ATOM 1517 CA GLU B 8 0.626 -15.854 12.982 1.00 0.00 C ATOM 1518 C GLU B 8 0.693 -14.389 12.719 1.00 0.00 C ATOM 1519 O GLU B 8 1.031 -13.600 13.601 1.00 0.00 O ATOM 1520 CB GLU B 8 0.650 -16.116 14.498 1.00 0.00 C ATOM 1521 CG GLU B 8 0.367 -17.568 14.888 1.00 0.00 C ATOM 1522 CD GLU B 8 0.526 -17.773 16.387 1.00 0.00 C ATOM 1523 OE1 GLU B 8 -0.174 -17.079 17.172 1.00 0.00 O ATOM 1524 OE2 GLU B 8 1.355 -18.622 16.811 1.00 0.00 O ATOM 0 H GLU B 8 1.106 -17.483 11.848 1.00 0.00 H new ATOM 0 HA GLU B 8 -0.324 -16.156 12.542 1.00 0.00 H new ATOM 0 HB2 GLU B 8 1.626 -15.830 14.889 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -0.087 -15.472 14.978 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -0.645 -17.838 14.586 1.00 0.00 H new ATOM 0 HG3 GLU B 8 1.047 -18.231 14.353 1.00 0.00 H new ATOM 1531 N ASN B 9 0.374 -13.939 11.493 1.00 0.00 N ATOM 1532 CA ASN B 9 0.491 -12.567 11.105 1.00 0.00 C ATOM 1533 C ASN B 9 -0.608 -12.093 10.219 1.00 0.00 C ATOM 1534 O ASN B 9 -0.422 -11.785 9.042 1.00 0.00 O ATOM 1535 CB ASN B 9 1.891 -12.265 10.547 1.00 0.00 C ATOM 1536 CG ASN B 9 2.355 -13.248 9.480 1.00 0.00 C ATOM 1537 OD1 ASN B 9 2.012 -13.148 8.303 1.00 0.00 O ATOM 1538 ND2 ASN B 9 3.213 -14.230 9.867 1.00 0.00 N ATOM 0 H ASN B 9 0.025 -14.545 10.751 1.00 0.00 H new ATOM 0 HA ASN B 9 0.370 -11.979 12.015 1.00 0.00 H new ATOM 0 HB2 ASN B 9 1.895 -11.259 10.127 1.00 0.00 H new ATOM 0 HB3 ASN B 9 2.608 -12.270 11.368 1.00 0.00 H new ATOM 0 HD21 ASN B 9 3.577 -14.890 9.179 1.00 0.00 H new ATOM 0 HD22 ASN B 9 3.493 -14.307 10.845 1.00 0.00 H new ATOM 1545 N GLU B 10 -1.826 -11.918 10.763 1.00 0.00 N ATOM 1546 CA GLU B 10 -2.926 -11.334 10.061 1.00 0.00 C ATOM 1547 C GLU B 10 -3.455 -10.141 10.780 1.00 0.00 C ATOM 1548 O GLU B 10 -4.465 -10.223 11.477 1.00 0.00 O ATOM 1549 CB GLU B 10 -4.073 -12.346 9.904 1.00 0.00 C ATOM 1550 CG GLU B 10 -3.825 -13.441 8.864 1.00 0.00 C ATOM 1551 CD GLU B 10 -5.004 -14.402 8.827 1.00 0.00 C ATOM 1552 OE1 GLU B 10 -6.181 -13.957 8.771 1.00 0.00 O ATOM 1553 OE2 GLU B 10 -4.768 -15.639 8.879 1.00 0.00 O ATOM 0 H GLU B 10 -2.052 -12.191 11.719 1.00 0.00 H new ATOM 0 HA GLU B 10 -2.553 -11.035 9.081 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -4.258 -12.817 10.870 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -4.980 -11.806 9.633 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -3.679 -12.994 7.881 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -2.911 -13.983 9.106 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.814 -8.966 10.654 1.00 0.00 N ATOM 1561 CA GLN B 11 -3.178 -7.833 11.446 1.00 0.00 C ATOM 1562 C GLN B 11 -3.179 -6.542 10.701 1.00 0.00 C ATOM 1563 O GLN B 11 -3.790 -6.445 9.638 1.00 0.00 O ATOM 1564 CB GLN B 11 -2.312 -7.838 12.717 1.00 0.00 C ATOM 1565 CG GLN B 11 -3.021 -7.265 13.946 1.00 0.00 C ATOM 1566 CD GLN B 11 -2.195 -7.545 15.193 1.00 0.00 C ATOM 1567 OE1 GLN B 11 -1.235 -6.832 15.483 1.00 0.00 O ATOM 1568 NE2 GLN B 11 -2.541 -8.628 15.939 1.00 0.00 N ATOM 0 H GLN B 11 -2.045 -8.800 10.005 1.00 0.00 H new ATOM 0 HA GLN B 11 -4.224 -7.923 11.737 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -2.002 -8.861 12.931 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -1.405 -7.263 12.530 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -3.165 -6.191 13.827 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -4.011 -7.710 14.047 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -3.343 -9.198 15.670 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -1.998 -8.871 16.768 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.535 -5.481 11.221 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.458 -4.182 10.629 1.00 0.00 C ATOM 1579 C VAL B 12 -1.029 -3.767 10.522 1.00 0.00 C ATOM 1580 O VAL B 12 -0.168 -4.231 11.266 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.201 -3.121 11.387 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -4.708 -3.248 11.109 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -2.943 -3.215 12.900 1.00 0.00 C ATOM 0 H VAL B 12 -2.038 -5.535 12.110 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.930 -4.270 9.651 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.839 -2.151 11.047 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.246 -2.477 11.660 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.893 -3.127 10.042 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.055 -4.231 11.428 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.498 -2.430 13.413 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.270 -4.189 13.265 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.878 -3.093 13.096 1.00 0.00 H new ATOM 1593 N SER B 13 -0.717 -2.864 9.575 1.00 0.00 N ATOM 1594 CA SER B 13 0.621 -2.490 9.238 1.00 0.00 C ATOM 1595 C SER B 13 0.765 -1.029 8.979 1.00 0.00 C ATOM 1596 O SER B 13 -0.162 -0.347 8.545 1.00 0.00 O ATOM 1597 CB SER B 13 1.127 -3.265 8.009 1.00 0.00 C ATOM 1598 OG SER B 13 0.204 -3.204 6.931 1.00 0.00 O ATOM 0 H SER B 13 -1.423 -2.376 9.024 1.00 0.00 H new ATOM 0 HA SER B 13 1.225 -2.744 10.109 1.00 0.00 H new ATOM 0 HB2 SER B 13 2.086 -2.856 7.690 1.00 0.00 H new ATOM 0 HB3 SER B 13 1.300 -4.306 8.281 1.00 0.00 H new ATOM 0 HG SER B 13 0.663 -3.429 6.095 1.00 0.00 H new ATOM 1604 N ALA B 14 1.955 -0.475 9.272 1.00 0.00 N ATOM 1605 CA ALA B 14 2.309 0.888 9.021 1.00 0.00 C ATOM 1606 C ALA B 14 3.583 0.999 8.257 1.00 0.00 C ATOM 1607 O ALA B 14 4.473 0.156 8.361 1.00 0.00 O ATOM 1608 CB ALA B 14 2.475 1.643 10.350 1.00 0.00 C ATOM 0 H ALA B 14 2.710 -1.006 9.707 1.00 0.00 H new ATOM 0 HA ALA B 14 1.504 1.323 8.429 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.745 2.680 10.148 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.537 1.613 10.905 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.261 1.172 10.940 1.00 0.00 H new ATOM 1614 N VAL B 15 3.717 2.076 7.464 1.00 0.00 N ATOM 1615 CA VAL B 15 4.912 2.487 6.793 1.00 0.00 C ATOM 1616 C VAL B 15 4.768 3.987 6.572 1.00 0.00 C ATOM 1617 O VAL B 15 3.619 4.497 6.647 1.00 0.00 O ATOM 1618 CB VAL B 15 5.150 1.713 5.531 1.00 0.00 C ATOM 1619 CG1 VAL B 15 3.913 1.769 4.618 1.00 0.00 C ATOM 1620 CG2 VAL B 15 6.417 2.178 4.794 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.786 4.707 6.392 1.00 0.00 O ATOM 0 H VAL B 15 2.935 2.704 7.279 1.00 0.00 H new ATOM 0 HA VAL B 15 5.800 2.278 7.389 1.00 0.00 H new ATOM 0 HB VAL B 15 5.319 0.673 5.812 1.00 0.00 H new ATOM 0 HG11 VAL B 15 4.107 1.201 3.708 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.057 1.340 5.138 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.698 2.806 4.360 1.00 0.00 H new ATOM 0 HG21 VAL B 15 6.547 1.588 3.887 1.00 0.00 H new ATOM 0 HG22 VAL B 15 6.319 3.231 4.531 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.284 2.044 5.441 1.00 0.00 H new TER 1631 VAL B 15