USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 741 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 60 ASN :FLIP amide:sc= 0.179 F(o=0.56,f=1.4) USER MOD Set 1.2: A 62 THR OG1 : rot -122:sc= 1.2 USER MOD Set 2.1: A 36 MET CE :methyl 164:sc= -0.111 (180deg=-0.000952) USER MOD Set 2.2: A 41 GLN :FLIP amide:sc= -0.0118 F(o=-1.7!,f=-0.12) USER MOD Set 3.1: A 8 GLN : amide:sc= -0.14 X(o=-0.97,f=-0.94) USER MOD Set 3.2: A 72 MET CE :methyl 158:sc= -0.833 (180deg=-0.437) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -2.88! C(o=-2.9!,f=-7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 33:sc= -0.594! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0829 USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00502) USER MOD Single : A 34 THR OG1 : rot 86:sc= 1.16 USER MOD Single : A 38 SER OG : rot 84:sc= 0.314 USER MOD Single : A 42 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.48) USER MOD Single : A 44 THR OG1 : rot -178:sc= -0.181 USER MOD Single : A 49 GLN : amide:sc= -0.98 K(o=-0.98,f=-5.3!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0678 K(o=-0.068,f=-0.58) USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.159 USER MOD Single : A 71 MET CE :methyl 162:sc= -1.03 (180deg=-2.82!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -175:sc= 0 (180deg=-0.0205) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot -40:sc= 0.35 USER MOD Single : B 53 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.7) USER MOD Single : B 61 GLN : amide:sc= -0.284 K(o=-0.28,f=-0.81) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 MET CE :methyl 140:sc= -0.216 (180deg=-1.36!) USER MOD Single : B 67 SER OG : rot -7:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.049 -25.331 -6.616 1.00 0.00 N ATOM 2 CA ALA A 1 -9.361 -24.182 -7.263 1.00 0.00 C ATOM 3 C ALA A 1 -8.731 -23.343 -6.174 1.00 0.00 C ATOM 4 O ALA A 1 -9.415 -22.612 -5.454 1.00 0.00 O ATOM 5 CB ALA A 1 -10.372 -23.359 -8.068 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.492 -25.926 -7.345 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.357 -25.895 -6.083 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.780 -24.977 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.590 -24.531 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.863 -22.518 -8.540 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.824 -23.987 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.149 -22.985 -7.402 1.00 0.00 H new ATOM 13 N ASP A 2 -7.423 -23.477 -6.036 1.00 0.00 N ATOM 14 CA ASP A 2 -6.687 -22.763 -5.008 1.00 0.00 C ATOM 15 C ASP A 2 -6.266 -21.373 -5.488 1.00 0.00 C ATOM 16 O ASP A 2 -5.278 -21.223 -6.210 1.00 0.00 O ATOM 17 CB ASP A 2 -5.466 -23.603 -4.634 1.00 0.00 C ATOM 18 CG ASP A 2 -5.914 -24.855 -3.879 1.00 0.00 C ATOM 19 OD1 ASP A 2 -7.052 -24.876 -3.432 1.00 0.00 O ATOM 20 OD2 ASP A 2 -5.123 -25.775 -3.769 1.00 0.00 O ATOM 0 H ASP A 2 -6.847 -24.077 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.324 -22.614 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.918 -23.885 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.785 -23.018 -4.016 1.00 0.00 H new ATOM 25 N GLN A 3 -7.026 -20.361 -5.075 1.00 0.00 N ATOM 26 CA GLN A 3 -6.739 -18.982 -5.459 1.00 0.00 C ATOM 27 C GLN A 3 -5.415 -18.519 -4.846 1.00 0.00 C ATOM 28 O GLN A 3 -4.811 -19.234 -4.045 1.00 0.00 O ATOM 29 CB GLN A 3 -7.879 -18.068 -4.993 1.00 0.00 C ATOM 30 CG GLN A 3 -9.179 -18.447 -5.718 1.00 0.00 C ATOM 31 CD GLN A 3 -9.794 -19.692 -5.083 1.00 0.00 C ATOM 32 OE1 GLN A 3 -9.533 -19.988 -3.917 1.00 0.00 O ATOM 33 NE2 GLN A 3 -10.605 -20.436 -5.786 1.00 0.00 N ATOM 0 H GLN A 3 -7.844 -20.470 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.655 -18.930 -6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.013 -18.159 -3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.629 -17.027 -5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.886 -17.618 -5.670 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.975 -18.631 -6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.818 -20.186 -6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.025 -21.267 -5.369 1.00 0.00 H new ATOM 42 N LEU A 4 -4.970 -17.327 -5.230 1.00 0.00 N ATOM 43 CA LEU A 4 -3.716 -16.777 -4.716 1.00 0.00 C ATOM 44 C LEU A 4 -2.512 -17.559 -5.258 1.00 0.00 C ATOM 45 O LEU A 4 -2.670 -18.480 -6.060 1.00 0.00 O ATOM 46 CB LEU A 4 -3.720 -16.821 -3.173 1.00 0.00 C ATOM 47 CG LEU A 4 -3.022 -15.567 -2.599 1.00 0.00 C ATOM 48 CD1 LEU A 4 -4.019 -14.411 -2.520 1.00 0.00 C ATOM 49 CD2 LEU A 4 -2.490 -15.866 -1.198 1.00 0.00 C ATOM 0 H LEU A 4 -5.456 -16.723 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.631 -15.743 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.745 -16.875 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.210 -17.720 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.194 -15.292 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.522 -13.529 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.397 -14.188 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.849 -14.690 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.999 -14.979 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.318 -16.147 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.773 -16.686 -1.248 1.00 0.00 H new ATOM 61 N THR A 5 -1.310 -17.176 -4.815 1.00 0.00 N ATOM 62 CA THR A 5 -0.089 -17.846 -5.261 1.00 0.00 C ATOM 63 C THR A 5 1.124 -17.323 -4.487 1.00 0.00 C ATOM 64 O THR A 5 1.019 -16.349 -3.741 1.00 0.00 O ATOM 65 CB THR A 5 0.117 -17.619 -6.762 1.00 0.00 C ATOM 66 OG1 THR A 5 1.334 -18.222 -7.171 1.00 0.00 O ATOM 67 CG2 THR A 5 0.171 -16.121 -7.057 1.00 0.00 C ATOM 0 H THR A 5 -1.159 -16.413 -4.155 1.00 0.00 H new ATOM 0 HA THR A 5 -0.192 -18.914 -5.070 1.00 0.00 H new ATOM 0 HB THR A 5 -0.714 -18.065 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.464 -18.078 -8.132 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.318 -15.966 -8.126 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.765 -15.655 -6.748 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.999 -15.672 -6.508 1.00 0.00 H new ATOM 75 N GLU A 6 2.273 -17.970 -4.679 1.00 0.00 N ATOM 76 CA GLU A 6 3.494 -17.552 -3.998 1.00 0.00 C ATOM 77 C GLU A 6 3.785 -16.076 -4.300 1.00 0.00 C ATOM 78 O GLU A 6 4.004 -15.280 -3.403 1.00 0.00 O ATOM 79 CB GLU A 6 4.663 -18.427 -4.467 1.00 0.00 C ATOM 80 CG GLU A 6 5.879 -18.209 -3.560 1.00 0.00 C ATOM 81 CD GLU A 6 5.637 -18.841 -2.192 1.00 0.00 C ATOM 82 OE1 GLU A 6 4.653 -19.551 -2.055 1.00 0.00 O ATOM 83 OE2 GLU A 6 6.434 -18.601 -1.303 1.00 0.00 O ATOM 0 H GLU A 6 2.382 -18.777 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 6 3.366 -17.669 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.371 -19.477 -4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.920 -18.183 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.766 -18.645 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.071 -17.142 -3.447 1.00 0.00 H new ATOM 90 N GLU A 7 3.791 -15.726 -5.572 1.00 0.00 N ATOM 91 CA GLU A 7 4.048 -14.351 -5.978 1.00 0.00 C ATOM 92 C GLU A 7 3.255 -13.378 -5.111 1.00 0.00 C ATOM 93 O GLU A 7 3.829 -12.508 -4.471 1.00 0.00 O ATOM 94 CB GLU A 7 3.637 -14.193 -7.459 1.00 0.00 C ATOM 95 CG GLU A 7 3.689 -12.715 -7.875 1.00 0.00 C ATOM 96 CD GLU A 7 3.431 -12.558 -9.381 1.00 0.00 C ATOM 97 OE1 GLU A 7 3.578 -13.537 -10.098 1.00 0.00 O ATOM 98 OE2 GLU A 7 3.095 -11.457 -9.792 1.00 0.00 O ATOM 0 H GLU A 7 3.621 -16.371 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 7 5.108 -14.126 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.303 -14.779 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.630 -14.584 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.945 -12.149 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.664 -12.297 -7.624 1.00 0.00 H new ATOM 105 N GLN A 8 1.941 -13.520 -5.116 1.00 0.00 N ATOM 106 CA GLN A 8 1.063 -12.618 -4.372 1.00 0.00 C ATOM 107 C GLN A 8 1.593 -12.294 -2.973 1.00 0.00 C ATOM 108 O GLN A 8 1.803 -11.128 -2.646 1.00 0.00 O ATOM 109 CB GLN A 8 -0.326 -13.277 -4.239 1.00 0.00 C ATOM 110 CG GLN A 8 -1.421 -12.210 -4.179 1.00 0.00 C ATOM 111 CD GLN A 8 -1.602 -11.560 -5.549 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.683 -12.258 -6.561 1.00 0.00 O ATOM 113 NE2 GLN A 8 -1.674 -10.262 -5.635 1.00 0.00 N ATOM 0 H GLN A 8 1.451 -14.254 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 8 1.011 -11.680 -4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.503 -13.941 -5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.359 -13.892 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.360 -12.660 -3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.160 -11.452 -3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.606 -9.691 -4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.798 -9.817 -6.544 1.00 0.00 H new ATOM 122 N ILE A 9 1.789 -13.310 -2.136 1.00 0.00 N ATOM 123 CA ILE A 9 2.265 -13.055 -0.780 1.00 0.00 C ATOM 124 C ILE A 9 3.584 -12.296 -0.796 1.00 0.00 C ATOM 125 O ILE A 9 3.737 -11.281 -0.114 1.00 0.00 O ATOM 126 CB ILE A 9 2.405 -14.380 -0.007 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.119 -15.418 -0.871 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.023 -14.913 0.359 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.312 -16.707 -0.082 1.00 0.00 C ATOM 0 H ILE A 9 1.631 -14.292 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 9 1.530 -12.431 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 9 2.984 -14.196 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.537 -15.616 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.085 -15.032 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.128 -15.850 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.506 -14.185 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.447 -15.085 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.822 -17.442 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.912 -16.504 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.340 -17.098 0.219 1.00 0.00 H new ATOM 141 N ALA A 10 4.536 -12.772 -1.586 1.00 0.00 N ATOM 142 CA ALA A 10 5.827 -12.117 -1.683 1.00 0.00 C ATOM 143 C ALA A 10 5.646 -10.683 -2.181 1.00 0.00 C ATOM 144 O ALA A 10 6.305 -9.762 -1.707 1.00 0.00 O ATOM 145 CB ALA A 10 6.724 -12.898 -2.652 1.00 0.00 C ATOM 0 H ALA A 10 4.437 -13.606 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 10 6.295 -12.092 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.694 -12.407 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.859 -13.915 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.257 -12.928 -3.636 1.00 0.00 H new ATOM 151 N GLU A 11 4.739 -10.515 -3.138 1.00 0.00 N ATOM 152 CA GLU A 11 4.458 -9.203 -3.721 1.00 0.00 C ATOM 153 C GLU A 11 4.033 -8.206 -2.647 1.00 0.00 C ATOM 154 O GLU A 11 4.536 -7.081 -2.601 1.00 0.00 O ATOM 155 CB GLU A 11 3.344 -9.337 -4.765 1.00 0.00 C ATOM 156 CG GLU A 11 3.150 -8.001 -5.487 1.00 0.00 C ATOM 157 CD GLU A 11 2.049 -8.128 -6.538 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.326 -9.114 -6.505 1.00 0.00 O ATOM 159 OE2 GLU A 11 1.942 -7.233 -7.360 1.00 0.00 O ATOM 0 H GLU A 11 4.182 -11.274 -3.530 1.00 0.00 H new ATOM 0 HA GLU A 11 5.368 -8.833 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.598 -10.116 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.414 -9.639 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.889 -7.225 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.083 -7.696 -5.961 1.00 0.00 H new ATOM 166 N PHE A 12 3.115 -8.616 -1.777 1.00 0.00 N ATOM 167 CA PHE A 12 2.649 -7.741 -0.715 1.00 0.00 C ATOM 168 C PHE A 12 3.812 -7.382 0.216 1.00 0.00 C ATOM 169 O PHE A 12 3.947 -6.234 0.625 1.00 0.00 O ATOM 170 CB PHE A 12 1.479 -8.428 0.037 1.00 0.00 C ATOM 171 CG PHE A 12 1.813 -8.638 1.499 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.924 -7.534 2.352 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.026 -9.927 1.988 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.244 -7.725 3.696 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.348 -10.116 3.332 1.00 0.00 C ATOM 176 CZ PHE A 12 2.455 -9.015 4.189 1.00 0.00 C ATOM 0 H PHE A 12 2.684 -9.541 -1.788 1.00 0.00 H new ATOM 0 HA PHE A 12 2.274 -6.806 -1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.580 -7.817 -0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.258 -9.388 -0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.762 -6.537 1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.942 -10.777 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.329 -6.875 4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.515 -11.113 3.712 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.700 -9.162 5.230 1.00 0.00 H new ATOM 186 N LYS A 13 4.627 -8.375 0.554 1.00 0.00 N ATOM 187 CA LYS A 13 5.757 -8.151 1.444 1.00 0.00 C ATOM 188 C LYS A 13 6.658 -7.058 0.880 1.00 0.00 C ATOM 189 O LYS A 13 7.106 -6.174 1.608 1.00 0.00 O ATOM 190 CB LYS A 13 6.555 -9.452 1.602 1.00 0.00 C ATOM 191 CG LYS A 13 7.690 -9.267 2.629 1.00 0.00 C ATOM 192 CD LYS A 13 7.142 -9.463 4.056 1.00 0.00 C ATOM 193 CE LYS A 13 7.186 -10.949 4.430 1.00 0.00 C ATOM 194 NZ LYS A 13 8.549 -11.265 4.927 1.00 0.00 N ATOM 0 H LYS A 13 4.527 -9.336 0.227 1.00 0.00 H new ATOM 0 HA LYS A 13 5.385 -7.835 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.892 -10.255 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.972 -9.749 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.488 -9.983 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.124 -8.272 2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.732 -8.883 4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.118 -9.094 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.442 -11.170 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.945 -11.566 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.599 -12.271 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.246 -11.065 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.758 -10.681 5.762 1.00 0.00 H new ATOM 208 N GLU A 14 6.924 -7.133 -0.417 1.00 0.00 N ATOM 209 CA GLU A 14 7.775 -6.145 -1.066 1.00 0.00 C ATOM 210 C GLU A 14 7.173 -4.751 -0.909 1.00 0.00 C ATOM 211 O GLU A 14 7.819 -3.835 -0.401 1.00 0.00 O ATOM 212 CB GLU A 14 7.909 -6.484 -2.561 1.00 0.00 C ATOM 213 CG GLU A 14 8.725 -7.780 -2.737 1.00 0.00 C ATOM 214 CD GLU A 14 8.803 -8.174 -4.218 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.285 -7.438 -5.041 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.383 -9.212 -4.499 1.00 0.00 O ATOM 0 H GLU A 14 6.567 -7.861 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 14 8.760 -6.161 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.921 -6.604 -3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.397 -5.663 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.730 -7.640 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.265 -8.586 -2.165 1.00 0.00 H new ATOM 223 N ALA A 15 5.922 -4.605 -1.335 1.00 0.00 N ATOM 224 CA ALA A 15 5.237 -3.320 -1.231 1.00 0.00 C ATOM 225 C ALA A 15 5.170 -2.873 0.230 1.00 0.00 C ATOM 226 O ALA A 15 5.379 -1.697 0.546 1.00 0.00 O ATOM 227 CB ALA A 15 3.826 -3.445 -1.827 1.00 0.00 C ATOM 0 H ALA A 15 5.366 -5.352 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 15 5.792 -2.566 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.312 -2.487 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.898 -3.735 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.265 -4.202 -1.279 1.00 0.00 H new ATOM 233 N PHE A 16 4.899 -3.823 1.119 1.00 0.00 N ATOM 234 CA PHE A 16 4.832 -3.513 2.541 1.00 0.00 C ATOM 235 C PHE A 16 6.161 -2.922 3.024 1.00 0.00 C ATOM 236 O PHE A 16 6.183 -1.883 3.679 1.00 0.00 O ATOM 237 CB PHE A 16 4.479 -4.799 3.327 1.00 0.00 C ATOM 238 CG PHE A 16 5.254 -4.876 4.630 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.926 -4.038 5.698 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.318 -5.781 4.745 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.659 -4.107 6.886 1.00 0.00 C ATOM 242 CE2 PHE A 16 7.052 -5.848 5.931 1.00 0.00 C ATOM 243 CZ PHE A 16 6.720 -5.014 7.000 1.00 0.00 C ATOM 0 H PHE A 16 4.725 -4.800 0.884 1.00 0.00 H new ATOM 0 HA PHE A 16 4.056 -2.768 2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.409 -4.819 3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.701 -5.674 2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.108 -3.339 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.570 -6.426 3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.408 -3.462 7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.874 -6.543 6.021 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.284 -5.068 7.919 1.00 0.00 H new ATOM 253 N SER A 17 7.254 -3.609 2.713 1.00 0.00 N ATOM 254 CA SER A 17 8.583 -3.169 3.136 1.00 0.00 C ATOM 255 C SER A 17 8.888 -1.760 2.631 1.00 0.00 C ATOM 256 O SER A 17 9.563 -0.983 3.308 1.00 0.00 O ATOM 257 CB SER A 17 9.651 -4.139 2.620 1.00 0.00 C ATOM 258 OG SER A 17 10.928 -3.711 3.085 1.00 0.00 O ATOM 0 H SER A 17 7.249 -4.472 2.170 1.00 0.00 H new ATOM 0 HA SER A 17 8.597 -3.156 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.442 -5.150 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.638 -4.169 1.531 1.00 0.00 H new ATOM 0 HG SER A 17 11.618 -4.327 2.761 1.00 0.00 H new ATOM 264 N LEU A 18 8.400 -1.437 1.438 1.00 0.00 N ATOM 265 CA LEU A 18 8.635 -0.109 0.860 1.00 0.00 C ATOM 266 C LEU A 18 7.933 0.987 1.655 1.00 0.00 C ATOM 267 O LEU A 18 8.502 2.057 1.888 1.00 0.00 O ATOM 268 CB LEU A 18 8.143 -0.079 -0.593 1.00 0.00 C ATOM 269 CG LEU A 18 9.033 -0.978 -1.468 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.437 -1.060 -2.877 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.461 -0.404 -1.548 1.00 0.00 C ATOM 0 H LEU A 18 7.846 -2.064 0.855 1.00 0.00 H new ATOM 0 HA LEU A 18 9.708 0.081 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.108 -0.419 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.161 0.943 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 18 9.078 -1.973 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.065 -1.696 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.433 -1.481 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.389 -0.061 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.079 -1.051 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.428 0.595 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.888 -0.349 -0.546 1.00 0.00 H new ATOM 283 N PHE A 19 6.690 0.724 2.046 1.00 0.00 N ATOM 284 CA PHE A 19 5.917 1.711 2.794 1.00 0.00 C ATOM 285 C PHE A 19 6.442 1.873 4.215 1.00 0.00 C ATOM 286 O PHE A 19 6.692 2.981 4.653 1.00 0.00 O ATOM 287 CB PHE A 19 4.446 1.302 2.838 1.00 0.00 C ATOM 288 CG PHE A 19 3.897 1.216 1.428 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.875 2.352 0.608 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.411 -0.002 0.941 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.371 2.266 -0.694 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.909 -0.089 -0.357 1.00 0.00 C ATOM 293 CZ PHE A 19 2.887 1.046 -1.178 1.00 0.00 C ATOM 0 H PHE A 19 6.201 -0.152 1.861 1.00 0.00 H new ATOM 0 HA PHE A 19 6.019 2.667 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.341 0.340 3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.874 2.027 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.247 3.294 0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.425 -0.878 1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.356 3.142 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.537 -1.032 -0.730 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.497 0.979 -2.183 1.00 0.00 H new ATOM 303 N ASP A 20 6.593 0.769 4.937 1.00 0.00 N ATOM 304 CA ASP A 20 7.078 0.841 6.314 1.00 0.00 C ATOM 305 C ASP A 20 8.416 1.582 6.377 1.00 0.00 C ATOM 306 O ASP A 20 9.480 0.964 6.398 1.00 0.00 O ATOM 307 CB ASP A 20 7.244 -0.577 6.880 1.00 0.00 C ATOM 308 CG ASP A 20 7.342 -0.525 8.398 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.860 0.458 8.902 1.00 0.00 O ATOM 310 OD2 ASP A 20 6.893 -1.465 9.037 1.00 0.00 O ATOM 0 H ASP A 20 6.391 -0.173 4.601 1.00 0.00 H new ATOM 0 HA ASP A 20 6.349 1.389 6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.398 -1.197 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.139 -1.040 6.465 1.00 0.00 H new ATOM 315 N LYS A 21 8.354 2.911 6.391 1.00 0.00 N ATOM 316 CA LYS A 21 9.583 3.705 6.434 1.00 0.00 C ATOM 317 C LYS A 21 10.323 3.474 7.746 1.00 0.00 C ATOM 318 O LYS A 21 11.492 3.093 7.744 1.00 0.00 O ATOM 319 CB LYS A 21 9.267 5.202 6.285 1.00 0.00 C ATOM 320 CG LYS A 21 8.271 5.438 5.140 1.00 0.00 C ATOM 321 CD LYS A 21 8.766 4.812 3.823 1.00 0.00 C ATOM 322 CE LYS A 21 10.131 5.398 3.438 1.00 0.00 C ATOM 323 NZ LYS A 21 10.368 5.179 1.980 1.00 0.00 N ATOM 0 H LYS A 21 7.490 3.452 6.374 1.00 0.00 H new ATOM 0 HA LYS A 21 10.215 3.389 5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.853 5.585 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.186 5.755 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.303 5.013 5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.121 6.509 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.844 3.730 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.044 5.000 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.160 6.463 3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.921 4.925 4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.293 5.575 1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.357 4.159 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.620 5.650 1.432 1.00 0.00 H new ATOM 337 N ASP A 22 9.633 3.695 8.860 1.00 0.00 N ATOM 338 CA ASP A 22 10.241 3.508 10.170 1.00 0.00 C ATOM 339 C ASP A 22 10.666 2.055 10.354 1.00 0.00 C ATOM 340 O ASP A 22 11.514 1.746 11.192 1.00 0.00 O ATOM 341 CB ASP A 22 9.229 3.898 11.254 1.00 0.00 C ATOM 342 CG ASP A 22 8.051 2.929 11.233 1.00 0.00 C ATOM 343 OD1 ASP A 22 7.751 2.416 10.166 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.452 2.733 12.276 1.00 0.00 O ATOM 0 H ASP A 22 8.660 4.001 8.882 1.00 0.00 H new ATOM 0 HA ASP A 22 11.126 4.139 10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.707 3.883 12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.877 4.916 11.087 1.00 0.00 H new ATOM 349 N GLY A 23 10.099 1.170 9.533 1.00 0.00 N ATOM 350 CA GLY A 23 10.445 -0.243 9.579 1.00 0.00 C ATOM 351 C GLY A 23 10.079 -0.879 10.915 1.00 0.00 C ATOM 352 O GLY A 23 10.845 -1.678 11.454 1.00 0.00 O ATOM 0 H GLY A 23 9.400 1.411 8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.930 -0.768 8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.514 -0.360 9.403 1.00 0.00 H new ATOM 356 N ASP A 24 8.910 -0.523 11.451 1.00 0.00 N ATOM 357 CA ASP A 24 8.471 -1.080 12.735 1.00 0.00 C ATOM 358 C ASP A 24 7.606 -2.325 12.526 1.00 0.00 C ATOM 359 O ASP A 24 7.245 -3.004 13.484 1.00 0.00 O ATOM 360 CB ASP A 24 7.692 -0.023 13.531 1.00 0.00 C ATOM 361 CG ASP A 24 6.306 0.200 12.932 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.036 -0.349 11.872 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.531 0.923 13.542 1.00 0.00 O ATOM 0 H ASP A 24 8.259 0.137 11.026 1.00 0.00 H new ATOM 0 HA ASP A 24 9.356 -1.371 13.300 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.597 -0.341 14.569 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.246 0.916 13.535 1.00 0.00 H new ATOM 368 N GLY A 25 7.283 -2.620 11.268 1.00 0.00 N ATOM 369 CA GLY A 25 6.461 -3.791 10.941 1.00 0.00 C ATOM 370 C GLY A 25 5.032 -3.385 10.610 1.00 0.00 C ATOM 371 O GLY A 25 4.161 -4.234 10.433 1.00 0.00 O ATOM 0 H GLY A 25 7.574 -2.070 10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.897 -4.320 10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.459 -4.484 11.782 1.00 0.00 H new ATOM 375 N THR A 26 4.798 -2.078 10.528 1.00 0.00 N ATOM 376 CA THR A 26 3.468 -1.561 10.216 1.00 0.00 C ATOM 377 C THR A 26 3.587 -0.336 9.322 1.00 0.00 C ATOM 378 O THR A 26 4.671 0.225 9.165 1.00 0.00 O ATOM 379 CB THR A 26 2.733 -1.191 11.513 1.00 0.00 C ATOM 380 OG1 THR A 26 3.648 -0.614 12.432 1.00 0.00 O ATOM 381 CG2 THR A 26 2.114 -2.445 12.132 1.00 0.00 C ATOM 0 H THR A 26 5.508 -1.360 10.672 1.00 0.00 H new ATOM 0 HA THR A 26 2.901 -2.331 9.693 1.00 0.00 H new ATOM 0 HB THR A 26 1.945 -0.473 11.285 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.335 -0.117 11.941 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.594 -2.178 13.052 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.407 -2.886 11.430 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.900 -3.166 12.356 1.00 0.00 H new ATOM 389 N ILE A 27 2.460 0.089 8.753 1.00 0.00 N ATOM 390 CA ILE A 27 2.439 1.273 7.888 1.00 0.00 C ATOM 391 C ILE A 27 1.534 2.327 8.504 1.00 0.00 C ATOM 392 O ILE A 27 0.464 2.006 9.014 1.00 0.00 O ATOM 393 CB ILE A 27 1.947 0.909 6.492 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.929 -0.061 5.838 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.838 2.178 5.644 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.296 -0.644 4.570 1.00 0.00 C ATOM 0 H ILE A 27 1.554 -0.364 8.873 1.00 0.00 H new ATOM 0 HA ILE A 27 3.451 1.668 7.799 1.00 0.00 H new ATOM 0 HB ILE A 27 0.968 0.435 6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.857 0.454 5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.184 -0.862 6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.486 1.919 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.134 2.867 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.817 2.653 5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.994 -1.337 4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.380 -1.173 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.063 0.163 3.875 1.00 0.00 H new ATOM 408 N THR A 28 1.974 3.586 8.473 1.00 0.00 N ATOM 409 CA THR A 28 1.192 4.683 9.054 1.00 0.00 C ATOM 410 C THR A 28 0.772 5.687 7.979 1.00 0.00 C ATOM 411 O THR A 28 1.252 5.641 6.845 1.00 0.00 O ATOM 412 CB THR A 28 2.018 5.393 10.132 1.00 0.00 C ATOM 413 OG1 THR A 28 2.414 4.447 11.116 1.00 0.00 O ATOM 414 CG2 THR A 28 1.179 6.491 10.791 1.00 0.00 C ATOM 0 H THR A 28 2.860 3.872 8.056 1.00 0.00 H new ATOM 0 HA THR A 28 0.291 4.263 9.501 1.00 0.00 H new ATOM 0 HB THR A 28 2.900 5.842 9.675 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.944 4.896 11.807 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.772 6.992 11.556 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.872 7.216 10.037 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.295 6.048 11.249 1.00 0.00 H new ATOM 422 N THR A 29 -0.135 6.591 8.350 1.00 0.00 N ATOM 423 CA THR A 29 -0.632 7.607 7.423 1.00 0.00 C ATOM 424 C THR A 29 0.507 8.505 6.950 1.00 0.00 C ATOM 425 O THR A 29 0.582 8.872 5.777 1.00 0.00 O ATOM 426 CB THR A 29 -1.690 8.472 8.119 1.00 0.00 C ATOM 427 OG1 THR A 29 -1.104 9.126 9.234 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.845 7.590 8.595 1.00 0.00 C ATOM 0 H THR A 29 -0.540 6.640 9.285 1.00 0.00 H new ATOM 0 HA THR A 29 -1.071 7.101 6.563 1.00 0.00 H new ATOM 0 HB THR A 29 -2.069 9.214 7.417 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.778 9.681 9.679 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.595 8.208 9.089 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.296 7.087 7.739 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.469 6.845 9.297 1.00 0.00 H new ATOM 436 N LYS A 30 1.386 8.859 7.881 1.00 0.00 N ATOM 437 CA LYS A 30 2.528 9.716 7.577 1.00 0.00 C ATOM 438 C LYS A 30 3.565 8.960 6.745 1.00 0.00 C ATOM 439 O LYS A 30 4.174 9.522 5.834 1.00 0.00 O ATOM 440 CB LYS A 30 3.154 10.218 8.879 1.00 0.00 C ATOM 441 CG LYS A 30 2.156 11.133 9.603 1.00 0.00 C ATOM 442 CD LYS A 30 2.759 11.607 10.929 1.00 0.00 C ATOM 443 CE LYS A 30 1.794 12.574 11.621 1.00 0.00 C ATOM 444 NZ LYS A 30 0.691 11.802 12.260 1.00 0.00 N ATOM 0 H LYS A 30 1.330 8.565 8.856 1.00 0.00 H new ATOM 0 HA LYS A 30 2.182 10.569 6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.420 9.375 9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.075 10.761 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.913 11.991 8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.224 10.598 9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.957 10.752 11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.715 12.099 10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.325 13.160 12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.387 13.279 10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.054 12.455 12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.158 11.289 11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.091 11.123 12.938 1.00 0.00 H new ATOM 458 N GLU A 31 3.764 7.681 7.070 1.00 0.00 N ATOM 459 CA GLU A 31 4.726 6.855 6.344 1.00 0.00 C ATOM 460 C GLU A 31 4.334 6.776 4.869 1.00 0.00 C ATOM 461 O GLU A 31 5.097 7.172 3.980 1.00 0.00 O ATOM 462 CB GLU A 31 4.772 5.442 6.952 1.00 0.00 C ATOM 463 CG GLU A 31 5.559 5.469 8.271 1.00 0.00 C ATOM 464 CD GLU A 31 5.588 4.081 8.910 1.00 0.00 C ATOM 465 OE1 GLU A 31 5.204 3.131 8.247 1.00 0.00 O ATOM 466 OE2 GLU A 31 5.988 3.993 10.060 1.00 0.00 O ATOM 0 H GLU A 31 3.276 7.199 7.825 1.00 0.00 H new ATOM 0 HA GLU A 31 5.715 7.307 6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.760 5.079 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.241 4.750 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.577 5.811 8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.103 6.182 8.958 1.00 0.00 H new ATOM 473 N LEU A 32 3.123 6.287 4.624 1.00 0.00 N ATOM 474 CA LEU A 32 2.613 6.177 3.262 1.00 0.00 C ATOM 475 C LEU A 32 2.546 7.551 2.603 1.00 0.00 C ATOM 476 O LEU A 32 2.967 7.720 1.460 1.00 0.00 O ATOM 477 CB LEU A 32 1.218 5.540 3.302 1.00 0.00 C ATOM 478 CG LEU A 32 0.485 5.680 1.957 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.238 4.912 0.878 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.928 5.116 2.085 1.00 0.00 C ATOM 0 H LEU A 32 2.480 5.962 5.346 1.00 0.00 H new ATOM 0 HA LEU A 32 3.285 5.552 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.308 4.484 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.627 6.010 4.088 1.00 0.00 H new ATOM 0 HG LEU A 32 0.435 6.734 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.715 5.014 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.247 5.314 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.291 3.858 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.447 5.215 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.876 4.063 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.471 5.666 2.853 1.00 0.00 H new ATOM 492 N GLY A 33 2.014 8.526 3.331 1.00 0.00 N ATOM 493 CA GLY A 33 1.895 9.886 2.806 1.00 0.00 C ATOM 494 C GLY A 33 3.235 10.346 2.244 1.00 0.00 C ATOM 495 O GLY A 33 3.287 10.989 1.195 1.00 0.00 O ATOM 0 H GLY A 33 1.660 8.404 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.134 9.919 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.571 10.563 3.596 1.00 0.00 H new ATOM 499 N THR A 34 4.312 10.005 2.946 1.00 0.00 N ATOM 500 CA THR A 34 5.646 10.379 2.495 1.00 0.00 C ATOM 501 C THR A 34 5.917 9.747 1.130 1.00 0.00 C ATOM 502 O THR A 34 6.329 10.446 0.206 1.00 0.00 O ATOM 503 CB THR A 34 6.692 9.906 3.510 1.00 0.00 C ATOM 504 OG1 THR A 34 6.309 10.320 4.812 1.00 0.00 O ATOM 505 CG2 THR A 34 8.058 10.503 3.165 1.00 0.00 C ATOM 0 H THR A 34 4.288 9.477 3.818 1.00 0.00 H new ATOM 0 HA THR A 34 5.708 11.464 2.408 1.00 0.00 H new ATOM 0 HB THR A 34 6.758 8.818 3.477 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.696 9.660 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.797 10.163 3.890 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.354 10.181 2.167 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.997 11.591 3.192 1.00 0.00 H new ATOM 513 N VAL A 35 5.684 8.444 1.012 1.00 0.00 N ATOM 514 CA VAL A 35 5.907 7.742 -0.251 1.00 0.00 C ATOM 515 C VAL A 35 5.014 8.306 -1.350 1.00 0.00 C ATOM 516 O VAL A 35 5.436 8.467 -2.493 1.00 0.00 O ATOM 517 CB VAL A 35 5.604 6.245 -0.072 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.884 5.499 -1.380 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.483 5.673 1.039 1.00 0.00 C ATOM 0 H VAL A 35 5.343 7.853 1.770 1.00 0.00 H new ATOM 0 HA VAL A 35 6.949 7.879 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 35 4.554 6.122 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.668 4.439 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.252 5.902 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.932 5.624 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.267 4.612 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.533 5.801 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.278 6.198 1.972 1.00 0.00 H new ATOM 529 N MET A 36 3.770 8.620 -0.996 1.00 0.00 N ATOM 530 CA MET A 36 2.827 9.167 -1.971 1.00 0.00 C ATOM 531 C MET A 36 3.222 10.586 -2.398 1.00 0.00 C ATOM 532 O MET A 36 3.150 10.937 -3.576 1.00 0.00 O ATOM 533 CB MET A 36 1.409 9.165 -1.394 1.00 0.00 C ATOM 534 CG MET A 36 0.960 7.720 -1.168 1.00 0.00 C ATOM 535 SD MET A 36 -0.773 7.688 -0.649 1.00 0.00 S ATOM 536 CE MET A 36 -1.493 7.455 -2.290 1.00 0.00 C ATOM 0 H MET A 36 3.394 8.508 -0.055 1.00 0.00 H new ATOM 0 HA MET A 36 2.855 8.531 -2.856 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.385 9.717 -0.454 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.725 9.668 -2.077 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.085 7.144 -2.085 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.585 7.250 -0.408 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.527 7.125 -2.190 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.464 8.397 -2.837 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.923 6.702 -2.834 1.00 0.00 H new ATOM 546 N ARG A 37 3.651 11.394 -1.431 1.00 0.00 N ATOM 547 CA ARG A 37 4.069 12.767 -1.725 1.00 0.00 C ATOM 548 C ARG A 37 5.393 12.770 -2.493 1.00 0.00 C ATOM 549 O ARG A 37 5.513 13.406 -3.540 1.00 0.00 O ATOM 550 CB ARG A 37 4.193 13.565 -0.434 1.00 0.00 C ATOM 551 CG ARG A 37 4.551 15.016 -0.774 1.00 0.00 C ATOM 552 CD ARG A 37 4.423 15.881 0.470 1.00 0.00 C ATOM 553 NE ARG A 37 4.773 17.263 0.165 1.00 0.00 N ATOM 554 CZ ARG A 37 6.040 17.661 0.148 1.00 0.00 C ATOM 555 NH1 ARG A 37 6.993 16.816 0.424 1.00 0.00 N ATOM 556 NH2 ARG A 37 6.325 18.899 -0.140 1.00 0.00 N ATOM 0 H ARG A 37 3.719 11.129 -0.448 1.00 0.00 H new ATOM 0 HA ARG A 37 3.312 13.238 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.256 13.529 0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.960 13.128 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.568 15.068 -1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.892 15.389 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.403 15.833 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.075 15.499 1.255 1.00 0.00 H new ATOM 0 HE ARG A 37 4.033 17.935 -0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.766 15.848 0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.966 17.122 0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.576 19.559 -0.351 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.297 19.209 -0.154 1.00 0.00 H new ATOM 570 N SER A 38 6.383 12.051 -1.966 1.00 0.00 N ATOM 571 CA SER A 38 7.697 11.981 -2.604 1.00 0.00 C ATOM 572 C SER A 38 7.567 11.578 -4.068 1.00 0.00 C ATOM 573 O SER A 38 8.453 11.856 -4.877 1.00 0.00 O ATOM 574 CB SER A 38 8.580 10.962 -1.879 1.00 0.00 C ATOM 575 OG SER A 38 8.951 11.480 -0.609 1.00 0.00 O ATOM 0 H SER A 38 6.302 11.512 -1.104 1.00 0.00 H new ATOM 0 HA SER A 38 8.153 12.969 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.044 10.021 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.470 10.748 -2.471 1.00 0.00 H new ATOM 0 HG SER A 38 8.239 11.297 0.039 1.00 0.00 H new ATOM 581 N LEU A 39 6.455 10.928 -4.408 1.00 0.00 N ATOM 582 CA LEU A 39 6.215 10.501 -5.787 1.00 0.00 C ATOM 583 C LEU A 39 5.475 11.578 -6.576 1.00 0.00 C ATOM 584 O LEU A 39 5.450 11.542 -7.806 1.00 0.00 O ATOM 585 CB LEU A 39 5.400 9.208 -5.779 1.00 0.00 C ATOM 586 CG LEU A 39 6.263 8.060 -5.226 1.00 0.00 C ATOM 587 CD1 LEU A 39 5.365 6.874 -4.861 1.00 0.00 C ATOM 588 CD2 LEU A 39 7.287 7.609 -6.285 1.00 0.00 C ATOM 0 H LEU A 39 5.711 10.687 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 39 7.176 10.331 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.507 9.333 -5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.064 8.971 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 39 6.792 8.412 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.977 6.061 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.644 7.183 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.834 6.533 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.892 6.796 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.762 7.264 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.933 8.447 -6.547 1.00 0.00 H new ATOM 600 N GLY A 40 4.890 12.543 -5.866 1.00 0.00 N ATOM 601 CA GLY A 40 4.164 13.638 -6.516 1.00 0.00 C ATOM 602 C GLY A 40 2.670 13.346 -6.637 1.00 0.00 C ATOM 603 O GLY A 40 1.954 14.046 -7.353 1.00 0.00 O ATOM 0 H GLY A 40 4.903 12.590 -4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.308 14.556 -5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.581 13.810 -7.508 1.00 0.00 H new ATOM 607 N GLN A 41 2.199 12.311 -5.942 1.00 0.00 N ATOM 608 CA GLN A 41 0.781 11.947 -5.992 1.00 0.00 C ATOM 609 C GLN A 41 -0.001 12.670 -4.896 1.00 0.00 C ATOM 610 O GLN A 41 0.590 13.271 -3.999 1.00 0.00 O ATOM 611 CB GLN A 41 0.631 10.424 -5.846 1.00 0.00 C ATOM 612 CG GLN A 41 -0.822 10.009 -6.144 1.00 0.00 C ATOM 613 CD GLN A 41 -0.925 8.493 -6.327 1.00 0.00 C ATOM 614 OE1 GLN A 41 -1.394 8.008 -7.449 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 -0.581 7.734 -5.421 1.00 0.00 N flip ATOM 0 H GLN A 41 2.770 11.715 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 41 0.373 12.253 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.311 9.916 -6.530 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.906 10.118 -4.837 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.471 10.327 -5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.172 10.514 -7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.216 8.115 -4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.661 6.725 -5.543 1.00 0.00 H new ATOM 624 N ASN A 42 -1.333 12.603 -4.987 1.00 0.00 N ATOM 625 CA ASN A 42 -2.220 13.256 -4.023 1.00 0.00 C ATOM 626 C ASN A 42 -1.624 13.229 -2.604 1.00 0.00 C ATOM 627 O ASN A 42 -1.730 12.221 -1.902 1.00 0.00 O ATOM 628 CB ASN A 42 -3.572 12.547 -4.016 1.00 0.00 C ATOM 629 CG ASN A 42 -3.977 12.193 -5.442 1.00 0.00 C ATOM 630 OD1 ASN A 42 -4.018 11.016 -5.803 1.00 0.00 O ATOM 631 ND2 ASN A 42 -4.281 13.146 -6.282 1.00 0.00 N ATOM 0 H ASN A 42 -1.823 12.098 -5.726 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.341 14.297 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.516 11.643 -3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.327 13.189 -3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.553 12.916 -7.238 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.247 14.120 -5.982 1.00 0.00 H new ATOM 638 N PRO A 43 -1.000 14.306 -2.176 1.00 0.00 N ATOM 639 CA PRO A 43 -0.381 14.388 -0.822 1.00 0.00 C ATOM 640 C PRO A 43 -1.419 14.704 0.254 1.00 0.00 C ATOM 641 O PRO A 43 -1.078 15.161 1.345 1.00 0.00 O ATOM 642 CB PRO A 43 0.648 15.520 -0.960 1.00 0.00 C ATOM 643 CG PRO A 43 0.137 16.403 -2.068 1.00 0.00 C ATOM 644 CD PRO A 43 -0.817 15.561 -2.925 1.00 0.00 C ATOM 0 HA PRO A 43 0.069 13.445 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.744 16.077 -0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.635 15.125 -1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.380 17.271 -1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.964 16.779 -2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.768 16.073 -3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.397 15.373 -3.913 1.00 0.00 H new ATOM 652 N THR A 44 -2.685 14.462 -0.069 1.00 0.00 N ATOM 653 CA THR A 44 -3.769 14.731 0.867 1.00 0.00 C ATOM 654 C THR A 44 -3.665 13.824 2.096 1.00 0.00 C ATOM 655 O THR A 44 -4.298 12.772 2.161 1.00 0.00 O ATOM 656 CB THR A 44 -5.123 14.518 0.176 1.00 0.00 C ATOM 657 OG1 THR A 44 -5.102 13.297 -0.547 1.00 0.00 O ATOM 658 CG2 THR A 44 -5.402 15.675 -0.789 1.00 0.00 C ATOM 0 H THR A 44 -2.984 14.082 -0.967 1.00 0.00 H new ATOM 0 HA THR A 44 -3.689 15.767 1.195 1.00 0.00 H new ATOM 0 HB THR A 44 -5.907 14.481 0.932 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.955 13.179 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.364 15.518 -1.276 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.424 16.613 -0.235 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.616 15.717 -1.543 1.00 0.00 H new ATOM 666 N GLU A 45 -2.873 14.261 3.075 1.00 0.00 N ATOM 667 CA GLU A 45 -2.692 13.502 4.309 1.00 0.00 C ATOM 668 C GLU A 45 -4.047 13.205 4.954 1.00 0.00 C ATOM 669 O GLU A 45 -4.163 12.359 5.844 1.00 0.00 O ATOM 670 CB GLU A 45 -1.812 14.310 5.279 1.00 0.00 C ATOM 671 CG GLU A 45 -1.623 13.535 6.585 1.00 0.00 C ATOM 672 CD GLU A 45 -0.605 14.239 7.481 1.00 0.00 C ATOM 673 OE1 GLU A 45 -0.229 15.353 7.158 1.00 0.00 O ATOM 674 OE2 GLU A 45 -0.221 13.652 8.482 1.00 0.00 O ATOM 0 H GLU A 45 -2.348 15.135 3.036 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.204 12.555 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.843 14.511 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.274 15.276 5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.577 13.449 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.286 12.521 6.368 1.00 0.00 H new ATOM 681 N ALA A 46 -5.084 13.883 4.470 1.00 0.00 N ATOM 682 CA ALA A 46 -6.434 13.674 4.986 1.00 0.00 C ATOM 683 C ALA A 46 -7.085 12.479 4.293 1.00 0.00 C ATOM 684 O ALA A 46 -7.763 11.673 4.926 1.00 0.00 O ATOM 685 CB ALA A 46 -7.266 14.935 4.762 1.00 0.00 C ATOM 0 H ALA A 46 -5.017 14.578 3.726 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.382 13.465 6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.274 14.779 5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.804 15.773 5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.315 15.154 3.695 1.00 0.00 H new ATOM 691 N GLU A 47 -6.855 12.375 2.988 1.00 0.00 N ATOM 692 CA GLU A 47 -7.403 11.280 2.194 1.00 0.00 C ATOM 693 C GLU A 47 -6.887 9.947 2.742 1.00 0.00 C ATOM 694 O GLU A 47 -7.652 9.000 2.915 1.00 0.00 O ATOM 695 CB GLU A 47 -6.972 11.456 0.725 1.00 0.00 C ATOM 696 CG GLU A 47 -7.592 10.354 -0.148 1.00 0.00 C ATOM 697 CD GLU A 47 -7.159 10.524 -1.607 1.00 0.00 C ATOM 698 OE1 GLU A 47 -6.670 11.592 -1.948 1.00 0.00 O ATOM 699 OE2 GLU A 47 -7.327 9.581 -2.366 1.00 0.00 O ATOM 0 H GLU A 47 -6.291 13.038 2.456 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.492 11.287 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.284 12.435 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.885 11.420 0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.284 9.375 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.679 10.393 -0.077 1.00 0.00 H new ATOM 706 N LEU A 48 -5.583 9.895 3.021 1.00 0.00 N ATOM 707 CA LEU A 48 -4.970 8.684 3.560 1.00 0.00 C ATOM 708 C LEU A 48 -5.553 8.375 4.938 1.00 0.00 C ATOM 709 O LEU A 48 -6.052 7.273 5.179 1.00 0.00 O ATOM 710 CB LEU A 48 -3.452 8.899 3.676 1.00 0.00 C ATOM 711 CG LEU A 48 -2.792 8.738 2.298 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.544 9.576 1.259 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.336 9.215 2.369 1.00 0.00 C ATOM 0 H LEU A 48 -4.937 10.672 2.883 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.173 7.845 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.246 9.893 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.027 8.181 4.378 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.823 7.688 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.071 9.457 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.580 9.242 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.517 10.626 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.868 9.101 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.311 10.264 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.793 8.619 3.103 1.00 0.00 H new ATOM 725 N GLN A 49 -5.488 9.361 5.837 1.00 0.00 N ATOM 726 CA GLN A 49 -6.014 9.179 7.192 1.00 0.00 C ATOM 727 C GLN A 49 -7.431 8.610 7.147 1.00 0.00 C ATOM 728 O GLN A 49 -7.821 7.811 8.001 1.00 0.00 O ATOM 729 CB GLN A 49 -6.022 10.528 7.918 1.00 0.00 C ATOM 730 CG GLN A 49 -4.595 10.915 8.315 1.00 0.00 C ATOM 731 CD GLN A 49 -4.544 12.384 8.713 1.00 0.00 C ATOM 732 OE1 GLN A 49 -5.262 13.209 8.145 1.00 0.00 O ATOM 733 NE2 GLN A 49 -3.734 12.766 9.665 1.00 0.00 N ATOM 0 H GLN A 49 -5.083 10.279 5.655 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.376 8.476 7.727 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.450 11.295 7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.652 10.469 8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.259 10.293 9.145 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.915 10.732 7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.140 12.082 10.134 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.696 13.748 9.939 1.00 0.00 H new ATOM 742 N ASP A 50 -8.193 9.024 6.143 1.00 0.00 N ATOM 743 CA ASP A 50 -9.563 8.554 5.984 1.00 0.00 C ATOM 744 C ASP A 50 -9.597 7.167 5.341 1.00 0.00 C ATOM 745 O ASP A 50 -10.343 6.291 5.775 1.00 0.00 O ATOM 746 CB ASP A 50 -10.350 9.551 5.129 1.00 0.00 C ATOM 747 CG ASP A 50 -11.803 9.110 5.000 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.111 8.011 5.435 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.589 9.879 4.468 1.00 0.00 O ATOM 0 H ASP A 50 -7.886 9.683 5.428 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.021 8.478 6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.303 10.542 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.898 9.628 4.140 1.00 0.00 H new ATOM 754 N MET A 51 -8.781 6.974 4.302 1.00 0.00 N ATOM 755 CA MET A 51 -8.739 5.687 3.606 1.00 0.00 C ATOM 756 C MET A 51 -8.276 4.584 4.544 1.00 0.00 C ATOM 757 O MET A 51 -8.876 3.512 4.590 1.00 0.00 O ATOM 758 CB MET A 51 -7.783 5.780 2.407 1.00 0.00 C ATOM 759 CG MET A 51 -8.463 6.532 1.259 1.00 0.00 C ATOM 760 SD MET A 51 -9.789 5.511 0.569 1.00 0.00 S ATOM 761 CE MET A 51 -10.815 6.858 -0.070 1.00 0.00 C ATOM 0 H MET A 51 -8.149 7.682 3.928 1.00 0.00 H new ATOM 0 HA MET A 51 -9.743 5.447 3.257 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.867 6.294 2.699 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.497 4.780 2.080 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.868 7.478 1.619 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.734 6.772 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.704 6.444 -0.546 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.113 7.509 0.751 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.247 7.433 -0.801 1.00 0.00 H new ATOM 771 N ILE A 52 -7.228 4.853 5.306 1.00 0.00 N ATOM 772 CA ILE A 52 -6.714 3.873 6.255 1.00 0.00 C ATOM 773 C ILE A 52 -7.766 3.597 7.329 1.00 0.00 C ATOM 774 O ILE A 52 -7.967 2.455 7.738 1.00 0.00 O ATOM 775 CB ILE A 52 -5.407 4.376 6.881 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.253 4.162 5.890 1.00 0.00 C ATOM 777 CG2 ILE A 52 -5.110 3.610 8.177 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.982 4.857 6.392 1.00 0.00 C ATOM 0 H ILE A 52 -6.718 5.736 5.288 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.499 2.941 5.732 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.509 5.437 7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.066 3.096 5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.528 4.555 4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.180 3.977 8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.925 3.762 8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.014 2.547 7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.173 4.696 5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.168 5.926 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.699 4.444 7.360 1.00 0.00 H new ATOM 790 N ASN A 53 -8.421 4.659 7.789 1.00 0.00 N ATOM 791 CA ASN A 53 -9.441 4.535 8.826 1.00 0.00 C ATOM 792 C ASN A 53 -10.516 3.525 8.410 1.00 0.00 C ATOM 793 O ASN A 53 -10.994 2.745 9.233 1.00 0.00 O ATOM 794 CB ASN A 53 -10.087 5.904 9.066 1.00 0.00 C ATOM 795 CG ASN A 53 -11.216 5.785 10.084 1.00 0.00 C ATOM 796 OD1 ASN A 53 -12.338 5.425 9.728 1.00 0.00 O ATOM 797 ND2 ASN A 53 -10.986 6.079 11.335 1.00 0.00 N ATOM 0 H ASN A 53 -8.265 5.612 7.461 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.970 4.180 9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.338 6.610 9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.475 6.300 8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.737 6.011 12.021 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.055 6.377 11.626 1.00 0.00 H new ATOM 804 N GLU A 54 -10.889 3.543 7.134 1.00 0.00 N ATOM 805 CA GLU A 54 -11.905 2.623 6.629 1.00 0.00 C ATOM 806 C GLU A 54 -11.405 1.177 6.642 1.00 0.00 C ATOM 807 O GLU A 54 -12.143 0.266 7.012 1.00 0.00 O ATOM 808 CB GLU A 54 -12.295 3.020 5.201 1.00 0.00 C ATOM 809 CG GLU A 54 -12.998 4.385 5.211 1.00 0.00 C ATOM 810 CD GLU A 54 -14.332 4.296 5.953 1.00 0.00 C ATOM 811 OE1 GLU A 54 -15.112 3.415 5.630 1.00 0.00 O ATOM 812 OE2 GLU A 54 -14.552 5.114 6.831 1.00 0.00 O ATOM 0 H GLU A 54 -10.507 4.179 6.434 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.775 2.687 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.407 3.063 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.954 2.265 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.358 5.127 5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.166 4.721 4.188 1.00 0.00 H new ATOM 819 N VAL A 55 -10.153 0.967 6.225 1.00 0.00 N ATOM 820 CA VAL A 55 -9.580 -0.387 6.185 1.00 0.00 C ATOM 821 C VAL A 55 -8.632 -0.640 7.362 1.00 0.00 C ATOM 822 O VAL A 55 -7.643 -1.355 7.218 1.00 0.00 O ATOM 823 CB VAL A 55 -8.827 -0.600 4.865 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.800 -0.432 3.698 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.699 0.427 4.729 1.00 0.00 C ATOM 0 H VAL A 55 -9.522 1.705 5.913 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.406 -1.095 6.259 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.401 -1.603 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.270 -0.582 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.601 -1.166 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.224 0.572 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.172 0.266 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.119 1.433 4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.002 0.314 5.560 1.00 0.00 H new ATOM 835 N ASP A 56 -8.937 -0.064 8.525 1.00 0.00 N ATOM 836 CA ASP A 56 -8.090 -0.258 9.704 1.00 0.00 C ATOM 837 C ASP A 56 -8.382 -1.607 10.374 1.00 0.00 C ATOM 838 O ASP A 56 -8.800 -2.557 9.715 1.00 0.00 O ATOM 839 CB ASP A 56 -8.311 0.881 10.702 1.00 0.00 C ATOM 840 CG ASP A 56 -9.749 0.865 11.215 1.00 0.00 C ATOM 841 OD1 ASP A 56 -10.431 -0.120 10.980 1.00 0.00 O ATOM 842 OD2 ASP A 56 -10.145 1.843 11.830 1.00 0.00 O ATOM 0 H ASP A 56 -9.751 0.532 8.676 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.049 -0.255 9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.618 0.781 11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.099 1.838 10.225 1.00 0.00 H new ATOM 847 N ALA A 57 -8.155 -1.676 11.687 1.00 0.00 N ATOM 848 CA ALA A 57 -8.387 -2.916 12.432 1.00 0.00 C ATOM 849 C ALA A 57 -8.587 -2.641 13.927 1.00 0.00 C ATOM 850 O ALA A 57 -9.709 -2.709 14.425 1.00 0.00 O ATOM 851 CB ALA A 57 -7.204 -3.864 12.234 1.00 0.00 C ATOM 0 H ALA A 57 -7.815 -0.898 12.252 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.298 -3.377 12.049 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.379 -4.785 12.789 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.096 -4.094 11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.293 -3.389 12.597 1.00 0.00 H new ATOM 857 N ASP A 58 -7.499 -2.342 14.638 1.00 0.00 N ATOM 858 CA ASP A 58 -7.581 -2.076 16.080 1.00 0.00 C ATOM 859 C ASP A 58 -7.769 -0.581 16.356 1.00 0.00 C ATOM 860 O ASP A 58 -7.830 -0.167 17.513 1.00 0.00 O ATOM 861 CB ASP A 58 -6.305 -2.554 16.776 1.00 0.00 C ATOM 862 CG ASP A 58 -6.146 -4.065 16.622 1.00 0.00 C ATOM 863 OD1 ASP A 58 -7.149 -4.731 16.420 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.020 -4.532 16.707 1.00 0.00 O ATOM 0 H ASP A 58 -6.559 -2.278 14.247 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.443 -2.618 16.470 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.440 -2.046 16.351 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.340 -2.292 17.833 1.00 0.00 H new ATOM 869 N GLY A 59 -7.839 0.217 15.298 1.00 0.00 N ATOM 870 CA GLY A 59 -7.991 1.664 15.452 1.00 0.00 C ATOM 871 C GLY A 59 -6.640 2.312 15.740 1.00 0.00 C ATOM 872 O GLY A 59 -6.563 3.460 16.178 1.00 0.00 O ATOM 0 H GLY A 59 -7.794 -0.106 14.332 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.420 2.090 14.545 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.685 1.879 16.264 1.00 0.00 H new ATOM 876 N ASN A 60 -5.577 1.555 15.485 1.00 0.00 N ATOM 877 CA ASN A 60 -4.217 2.021 15.707 1.00 0.00 C ATOM 878 C ASN A 60 -3.826 3.059 14.655 1.00 0.00 C ATOM 879 O ASN A 60 -2.838 3.774 14.808 1.00 0.00 O ATOM 880 CB ASN A 60 -3.265 0.820 15.642 1.00 0.00 C ATOM 881 CG ASN A 60 -1.846 1.235 16.021 1.00 0.00 C ATOM 882 OD1 ASN A 60 -0.833 0.679 15.413 1.00 0.00 O flip ATOM 883 ND2 ASN A 60 -1.657 2.078 16.901 1.00 0.00 N flip ATOM 0 H ASN A 60 -5.636 0.604 15.120 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.152 2.492 16.688 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.613 0.037 16.316 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.270 0.400 14.636 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.452 2.509 17.373 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.706 2.344 17.157 1.00 0.00 H new ATOM 890 N GLY A 61 -4.615 3.128 13.586 1.00 0.00 N ATOM 891 CA GLY A 61 -4.353 4.073 12.512 1.00 0.00 C ATOM 892 C GLY A 61 -3.233 3.574 11.607 1.00 0.00 C ATOM 893 O GLY A 61 -2.662 4.338 10.827 1.00 0.00 O ATOM 0 H GLY A 61 -5.437 2.542 13.443 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.260 4.223 11.926 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.081 5.041 12.933 1.00 0.00 H new ATOM 897 N THR A 62 -2.923 2.278 11.716 1.00 0.00 N ATOM 898 CA THR A 62 -1.864 1.674 10.907 1.00 0.00 C ATOM 899 C THR A 62 -2.361 0.409 10.217 1.00 0.00 C ATOM 900 O THR A 62 -3.339 -0.206 10.644 1.00 0.00 O ATOM 901 CB THR A 62 -0.669 1.330 11.797 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.033 0.300 12.704 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.237 2.569 12.580 1.00 0.00 C ATOM 0 H THR A 62 -3.388 1.632 12.353 1.00 0.00 H new ATOM 0 HA THR A 62 -1.564 2.392 10.144 1.00 0.00 H new ATOM 0 HB THR A 62 0.158 0.990 11.174 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.896 0.610 13.623 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.615 2.321 13.213 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.046 3.359 11.884 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.063 2.913 13.202 1.00 0.00 H new ATOM 911 N ILE A 63 -1.664 0.016 9.147 1.00 0.00 N ATOM 912 CA ILE A 63 -2.024 -1.190 8.394 1.00 0.00 C ATOM 913 C ILE A 63 -1.071 -2.331 8.730 1.00 0.00 C ATOM 914 O ILE A 63 0.149 -2.198 8.596 1.00 0.00 O ATOM 915 CB ILE A 63 -1.962 -0.912 6.886 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.793 0.334 6.552 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.512 -2.113 6.116 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.214 0.183 7.104 1.00 0.00 C ATOM 0 H ILE A 63 -0.851 0.513 8.783 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.039 -1.474 8.671 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.925 -0.742 6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.322 1.220 6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.828 0.479 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.466 -1.911 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.915 -2.996 6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.547 -2.289 6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.795 1.073 6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.687 -0.692 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.173 0.061 8.186 1.00 0.00 H new ATOM 930 N ASP A 64 -1.640 -3.442 9.190 1.00 0.00 N ATOM 931 CA ASP A 64 -0.849 -4.608 9.570 1.00 0.00 C ATOM 932 C ASP A 64 -0.519 -5.480 8.356 1.00 0.00 C ATOM 933 O ASP A 64 -0.962 -5.209 7.239 1.00 0.00 O ATOM 934 CB ASP A 64 -1.614 -5.431 10.608 1.00 0.00 C ATOM 935 CG ASP A 64 -1.700 -4.658 11.922 1.00 0.00 C ATOM 936 OD1 ASP A 64 -0.992 -3.670 12.055 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.472 -5.067 12.776 1.00 0.00 O ATOM 0 H ASP A 64 -2.646 -3.559 9.309 1.00 0.00 H new ATOM 0 HA ASP A 64 0.091 -4.257 9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.616 -5.655 10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.113 -6.385 10.769 1.00 0.00 H new ATOM 942 N PHE A 65 0.269 -6.521 8.596 1.00 0.00 N ATOM 943 CA PHE A 65 0.684 -7.446 7.542 1.00 0.00 C ATOM 944 C PHE A 65 -0.517 -7.977 6.733 1.00 0.00 C ATOM 945 O PHE A 65 -0.626 -7.717 5.527 1.00 0.00 O ATOM 946 CB PHE A 65 1.456 -8.630 8.182 1.00 0.00 C ATOM 947 CG PHE A 65 2.940 -8.394 8.110 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.469 -7.191 8.579 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.780 -9.376 7.578 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.843 -6.963 8.515 1.00 0.00 C ATOM 951 CE2 PHE A 65 5.155 -9.151 7.511 1.00 0.00 C ATOM 952 CZ PHE A 65 5.689 -7.943 7.981 1.00 0.00 C ATOM 0 H PHE A 65 0.638 -6.749 9.519 1.00 0.00 H new ATOM 0 HA PHE A 65 1.328 -6.905 6.848 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.151 -8.751 9.222 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.204 -9.557 7.667 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.815 -6.437 8.991 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.366 -10.307 7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.254 -6.032 8.877 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.807 -9.906 7.098 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.754 -7.768 7.931 1.00 0.00 H new ATOM 962 N PRO A 66 -1.390 -8.736 7.357 1.00 0.00 N ATOM 963 CA PRO A 66 -2.575 -9.333 6.665 1.00 0.00 C ATOM 964 C PRO A 66 -3.490 -8.278 6.048 1.00 0.00 C ATOM 965 O PRO A 66 -3.963 -8.436 4.924 1.00 0.00 O ATOM 966 CB PRO A 66 -3.305 -10.118 7.781 1.00 0.00 C ATOM 967 CG PRO A 66 -2.783 -9.561 9.069 1.00 0.00 C ATOM 968 CD PRO A 66 -1.364 -9.110 8.784 1.00 0.00 C ATOM 0 HA PRO A 66 -2.274 -9.960 5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.385 -9.991 7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.104 -11.187 7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.396 -8.727 9.411 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.802 -10.315 9.856 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.079 -8.267 9.413 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.646 -9.907 8.975 1.00 0.00 H new ATOM 976 N GLU A 67 -3.745 -7.214 6.799 1.00 0.00 N ATOM 977 CA GLU A 67 -4.626 -6.154 6.325 1.00 0.00 C ATOM 978 C GLU A 67 -4.218 -5.705 4.928 1.00 0.00 C ATOM 979 O GLU A 67 -5.049 -5.630 4.023 1.00 0.00 O ATOM 980 CB GLU A 67 -4.544 -4.969 7.284 1.00 0.00 C ATOM 981 CG GLU A 67 -5.049 -5.404 8.655 1.00 0.00 C ATOM 982 CD GLU A 67 -4.833 -4.280 9.658 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.550 -3.175 9.224 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.931 -4.542 10.845 1.00 0.00 O ATOM 0 H GLU A 67 -3.358 -7.062 7.731 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.647 -6.533 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.516 -4.614 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.142 -4.139 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.108 -5.658 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.522 -6.301 8.980 1.00 0.00 H new ATOM 991 N PHE A 68 -2.933 -5.409 4.762 1.00 0.00 N ATOM 992 CA PHE A 68 -2.426 -4.977 3.470 1.00 0.00 C ATOM 993 C PHE A 68 -2.631 -6.067 2.421 1.00 0.00 C ATOM 994 O PHE A 68 -3.145 -5.818 1.318 1.00 0.00 O ATOM 995 CB PHE A 68 -0.940 -4.639 3.584 1.00 0.00 C ATOM 996 CG PHE A 68 -0.448 -4.067 2.276 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.188 -4.916 1.192 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.242 -2.687 2.148 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.276 -4.386 -0.015 1.00 0.00 C ATOM 1000 CE2 PHE A 68 0.221 -2.158 0.939 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.481 -3.008 -0.142 1.00 0.00 C ATOM 0 H PHE A 68 -2.231 -5.460 5.500 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.976 -4.089 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.781 -3.921 4.389 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.372 -5.534 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.346 -5.980 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.441 -2.032 2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.476 -5.041 -0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.378 -1.094 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.840 -2.600 -1.075 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.236 -7.282 2.781 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.376 -8.422 1.890 1.00 0.00 C ATOM 1013 C LEU A 69 -3.828 -8.582 1.455 1.00 0.00 C ATOM 1014 O LEU A 69 -4.119 -9.181 0.419 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.866 -9.687 2.592 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.251 -10.952 1.788 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -1.123 -11.982 1.870 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.538 -11.574 2.364 1.00 0.00 C ATOM 0 H LEU A 69 -1.816 -7.501 3.684 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.778 -8.256 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.783 -9.636 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.286 -9.746 3.596 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.417 -10.667 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.400 -12.870 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.210 -11.556 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.955 -12.255 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.800 -12.463 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.375 -11.849 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.351 -10.850 2.303 1.00 0.00 H new ATOM 1030 N THR A 70 -4.745 -8.078 2.271 1.00 0.00 N ATOM 1031 CA THR A 70 -6.174 -8.168 1.967 1.00 0.00 C ATOM 1032 C THR A 70 -6.675 -6.957 1.175 1.00 0.00 C ATOM 1033 O THR A 70 -7.195 -7.094 0.073 1.00 0.00 O ATOM 1034 CB THR A 70 -6.967 -8.307 3.263 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.647 -9.551 3.874 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.465 -8.250 2.967 1.00 0.00 C ATOM 0 H THR A 70 -4.529 -7.603 3.147 1.00 0.00 H new ATOM 0 HA THR A 70 -6.324 -9.049 1.342 1.00 0.00 H new ATOM 0 HB THR A 70 -6.709 -7.489 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.768 -9.488 4.303 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.024 -8.350 3.898 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.707 -7.296 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.734 -9.063 2.293 1.00 0.00 H new ATOM 1044 N MET A 71 -6.551 -5.776 1.766 1.00 0.00 N ATOM 1045 CA MET A 71 -7.029 -4.559 1.120 1.00 0.00 C ATOM 1046 C MET A 71 -6.556 -4.481 -0.327 1.00 0.00 C ATOM 1047 O MET A 71 -7.098 -3.712 -1.120 1.00 0.00 O ATOM 1048 CB MET A 71 -6.596 -3.316 1.915 1.00 0.00 C ATOM 1049 CG MET A 71 -5.220 -2.805 1.447 1.00 0.00 C ATOM 1050 SD MET A 71 -4.875 -1.208 2.213 1.00 0.00 S ATOM 1051 CE MET A 71 -5.022 -1.733 3.927 1.00 0.00 C ATOM 0 H MET A 71 -6.128 -5.634 2.683 1.00 0.00 H new ATOM 0 HA MET A 71 -8.119 -4.589 1.107 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.339 -2.528 1.795 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.555 -3.557 2.977 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.444 -3.523 1.714 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.206 -2.710 0.361 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.543 -0.999 4.575 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.076 -1.818 4.192 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.536 -2.701 4.054 1.00 0.00 H new ATOM 1061 N MET A 72 -5.528 -5.259 -0.671 1.00 0.00 N ATOM 1062 CA MET A 72 -5.003 -5.239 -2.035 1.00 0.00 C ATOM 1063 C MET A 72 -5.821 -6.165 -2.939 1.00 0.00 C ATOM 1064 O MET A 72 -5.867 -5.982 -4.154 1.00 0.00 O ATOM 1065 CB MET A 72 -3.521 -5.624 -2.041 1.00 0.00 C ATOM 1066 CG MET A 72 -3.354 -7.112 -1.745 1.00 0.00 C ATOM 1067 SD MET A 72 -1.595 -7.498 -1.559 1.00 0.00 S ATOM 1068 CE MET A 72 -1.690 -9.231 -2.072 1.00 0.00 C ATOM 0 H MET A 72 -5.051 -5.899 -0.036 1.00 0.00 H new ATOM 0 HA MET A 72 -5.090 -4.226 -2.429 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.082 -5.389 -3.010 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.984 -5.037 -1.297 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.893 -7.375 -0.835 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.784 -7.705 -2.553 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.708 -9.565 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.013 -9.843 -1.230 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.406 -9.330 -2.888 1.00 0.00 H new ATOM 1078 N ALA A 73 -6.478 -7.154 -2.327 1.00 0.00 N ATOM 1079 CA ALA A 73 -7.308 -8.110 -3.064 1.00 0.00 C ATOM 1080 C ALA A 73 -8.781 -7.706 -2.994 1.00 0.00 C ATOM 1081 O ALA A 73 -9.668 -8.557 -3.048 1.00 0.00 O ATOM 1082 CB ALA A 73 -7.154 -9.499 -2.451 1.00 0.00 C ATOM 0 H ALA A 73 -6.451 -7.314 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.984 -8.117 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.772 -10.210 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.110 -9.807 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.470 -9.474 -1.408 1.00 0.00 H new ATOM 1088 N ARG A 74 -9.036 -6.411 -2.875 1.00 0.00 N ATOM 1089 CA ARG A 74 -10.408 -5.915 -2.800 1.00 0.00 C ATOM 1090 C ARG A 74 -11.239 -6.399 -3.992 1.00 0.00 C ATOM 1091 O ARG A 74 -12.416 -6.056 -4.124 1.00 0.00 O ATOM 1092 CB ARG A 74 -10.393 -4.381 -2.728 1.00 0.00 C ATOM 1093 CG ARG A 74 -9.938 -3.930 -1.322 1.00 0.00 C ATOM 1094 CD ARG A 74 -11.146 -3.825 -0.382 1.00 0.00 C ATOM 1095 NE ARG A 74 -12.054 -2.779 -0.837 1.00 0.00 N ATOM 1096 CZ ARG A 74 -11.848 -1.504 -0.524 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -10.830 -1.170 0.216 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -12.665 -0.582 -0.948 1.00 0.00 N ATOM 0 H ARG A 74 -8.319 -5.687 -2.828 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.876 -6.310 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.720 -3.978 -3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.387 -3.988 -2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.216 -4.641 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.434 -2.966 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.670 -4.780 -0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.809 -3.607 0.631 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.862 -3.030 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.190 -1.887 0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.673 -0.191 0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.468 -0.837 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.502 0.395 -0.705 1.00 0.00 H new ATOM 1112 N LYS A 75 -10.618 -7.213 -4.845 1.00 0.00 N ATOM 1113 CA LYS A 75 -11.283 -7.765 -6.017 1.00 0.00 C ATOM 1114 C LYS A 75 -12.391 -8.734 -5.601 1.00 0.00 C ATOM 1115 O LYS A 75 -12.671 -8.888 -4.409 1.00 0.00 O ATOM 1116 CB LYS A 75 -10.258 -8.497 -6.893 1.00 0.00 C ATOM 1117 CG LYS A 75 -9.267 -7.480 -7.473 1.00 0.00 C ATOM 1118 CD LYS A 75 -8.227 -8.200 -8.341 1.00 0.00 C ATOM 1119 CE LYS A 75 -7.241 -7.181 -8.921 1.00 0.00 C ATOM 1120 NZ LYS A 75 -6.230 -7.892 -9.754 1.00 0.00 N ATOM 0 H LYS A 75 -9.646 -7.505 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.730 -6.947 -6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.727 -9.244 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.765 -9.028 -7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.800 -6.739 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.770 -6.942 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.692 -8.939 -7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.724 -8.739 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.773 -6.445 -9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.748 -6.636 -8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.559 -7.203 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.715 -8.578 -9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.709 -8.392 -10.530 1.00 0.00 H new ATOM 1134 N MET A 76 -13.012 -9.367 -6.586 1.00 0.00 N ATOM 1135 CA MET A 76 -14.096 -10.313 -6.332 1.00 0.00 C ATOM 1136 C MET A 76 -13.542 -11.721 -6.134 1.00 0.00 C ATOM 1137 O MET A 76 -12.478 -12.062 -6.653 1.00 0.00 O ATOM 1138 CB MET A 76 -15.083 -10.293 -7.506 1.00 0.00 C ATOM 1139 CG MET A 76 -15.830 -8.948 -7.562 1.00 0.00 C ATOM 1140 SD MET A 76 -16.983 -8.957 -8.963 1.00 0.00 S ATOM 1141 CE MET A 76 -15.809 -8.486 -10.263 1.00 0.00 C ATOM 0 H MET A 76 -12.785 -9.244 -7.573 1.00 0.00 H new ATOM 0 HA MET A 76 -14.616 -10.018 -5.420 1.00 0.00 H new ATOM 0 HB2 MET A 76 -14.548 -10.457 -8.441 1.00 0.00 H new ATOM 0 HB3 MET A 76 -15.798 -11.109 -7.401 1.00 0.00 H new ATOM 0 HG2 MET A 76 -16.373 -8.782 -6.631 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.119 -8.129 -7.667 1.00 0.00 H new ATOM 0 HE1 MET A 76 -16.343 -8.348 -11.203 1.00 0.00 H new ATOM 0 HE2 MET A 76 -15.314 -7.555 -9.987 1.00 0.00 H new ATOM 0 HE3 MET A 76 -15.063 -9.272 -10.382 1.00 0.00 H new ATOM 1151 N LYS A 77 -14.273 -12.520 -5.373 1.00 0.00 N ATOM 1152 CA LYS A 77 -13.868 -13.894 -5.090 1.00 0.00 C ATOM 1153 C LYS A 77 -15.109 -14.772 -4.951 1.00 0.00 C ATOM 1154 O LYS A 77 -15.927 -14.475 -4.095 1.00 0.00 O ATOM 1155 CB LYS A 77 -13.052 -13.924 -3.789 1.00 0.00 C ATOM 1156 CG LYS A 77 -12.491 -15.341 -3.549 1.00 0.00 C ATOM 1157 CD LYS A 77 -11.610 -15.356 -2.282 1.00 0.00 C ATOM 1158 CE LYS A 77 -11.045 -16.765 -2.050 1.00 0.00 C ATOM 1159 NZ LYS A 77 -10.212 -16.773 -0.804 1.00 0.00 N ATOM 1160 OXT LYS A 77 -15.231 -15.715 -5.716 1.00 0.00 O ATOM 0 H LYS A 77 -15.153 -12.243 -4.938 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.254 -14.274 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.234 -13.205 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.680 -13.626 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.311 -16.051 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.906 -15.660 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.794 -14.641 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.196 -15.044 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.859 -17.484 -1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.442 -17.071 -2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.830 -17.728 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.427 -16.098 -0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.800 -16.498 0.009 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -17.698 7.203 -4.739 1.00 0.00 N ATOM 1176 CA GLY B 45 -17.729 6.407 -3.478 1.00 0.00 C ATOM 1177 C GLY B 45 -16.423 5.626 -3.340 1.00 0.00 C ATOM 1178 O GLY B 45 -15.611 5.915 -2.461 1.00 0.00 O ATOM 0 HA2 GLY B 45 -17.863 7.067 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -18.576 5.722 -3.488 1.00 0.00 H new ATOM 1184 N THR B 46 -16.223 4.639 -4.216 1.00 0.00 N ATOM 1185 CA THR B 46 -15.001 3.834 -4.174 1.00 0.00 C ATOM 1186 C THR B 46 -13.817 4.642 -4.700 1.00 0.00 C ATOM 1187 O THR B 46 -13.992 5.671 -5.349 1.00 0.00 O ATOM 1188 CB THR B 46 -15.174 2.552 -5.009 1.00 0.00 C ATOM 1189 OG1 THR B 46 -16.308 1.840 -4.542 1.00 0.00 O ATOM 1190 CG2 THR B 46 -13.932 1.661 -4.867 1.00 0.00 C ATOM 0 H THR B 46 -16.880 4.381 -4.952 1.00 0.00 H new ATOM 0 HA THR B 46 -14.807 3.555 -3.138 1.00 0.00 H new ATOM 0 HB THR B 46 -15.306 2.823 -6.056 1.00 0.00 H new ATOM 0 HG1 THR B 46 -16.423 1.024 -5.072 1.00 0.00 H new ATOM 0 HG21 THR B 46 -14.063 0.757 -5.461 1.00 0.00 H new ATOM 0 HG22 THR B 46 -13.054 2.202 -5.219 1.00 0.00 H new ATOM 0 HG23 THR B 46 -13.796 1.391 -3.820 1.00 0.00 H new ATOM 1198 N GLY B 47 -12.609 4.166 -4.400 1.00 0.00 N ATOM 1199 CA GLY B 47 -11.391 4.846 -4.829 1.00 0.00 C ATOM 1200 C GLY B 47 -10.200 4.390 -3.987 1.00 0.00 C ATOM 1201 O GLY B 47 -9.042 4.623 -4.340 1.00 0.00 O ATOM 0 H GLY B 47 -12.449 3.314 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -11.202 4.636 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -11.518 5.925 -4.737 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.509 3.752 -2.859 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.489 3.264 -1.929 1.00 0.00 C ATOM 1207 C ALA B 48 -8.516 2.279 -2.596 1.00 0.00 C ATOM 1208 O ALA B 48 -7.299 2.408 -2.453 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.187 2.586 -0.743 1.00 0.00 C ATOM 0 H ALA B 48 -11.466 3.559 -2.564 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.899 4.117 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.438 2.218 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.832 3.307 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.788 1.751 -1.103 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.053 1.298 -3.316 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.219 0.298 -3.989 1.00 0.00 C ATOM 1217 C ALA B 49 -7.358 0.940 -5.077 1.00 0.00 C ATOM 1218 O ALA B 49 -6.206 0.554 -5.284 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.113 -0.779 -4.608 1.00 0.00 C ATOM 0 H ALA B 49 -10.056 1.171 -3.450 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.555 -0.150 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -8.493 -1.523 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -9.697 -1.261 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -9.786 -0.321 -5.332 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.932 1.915 -5.777 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.218 2.599 -6.851 1.00 0.00 C ATOM 1227 C LEU B 50 -5.985 3.309 -6.289 1.00 0.00 C ATOM 1228 O LEU B 50 -4.891 3.233 -6.849 1.00 0.00 O ATOM 1229 CB LEU B 50 -8.167 3.627 -7.504 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.765 3.865 -8.966 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -8.713 4.888 -9.596 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -6.329 4.390 -9.037 1.00 0.00 C ATOM 0 H LEU B 50 -8.884 2.248 -5.621 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.892 1.874 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.194 3.266 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.133 4.566 -6.952 1.00 0.00 H new ATOM 0 HG LEU B 50 -7.828 2.923 -9.510 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.428 5.057 -10.634 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -9.734 4.510 -9.557 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -8.653 5.827 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -6.053 4.556 -10.078 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -6.258 5.329 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -5.652 3.659 -8.594 1.00 0.00 H new ATOM 1244 N SER B 51 -6.176 3.995 -5.170 1.00 0.00 N ATOM 1245 CA SER B 51 -5.084 4.717 -4.530 1.00 0.00 C ATOM 1246 C SER B 51 -3.994 3.748 -4.094 1.00 0.00 C ATOM 1247 O SER B 51 -2.801 3.999 -4.286 1.00 0.00 O ATOM 1248 CB SER B 51 -5.617 5.462 -3.311 1.00 0.00 C ATOM 1249 OG SER B 51 -6.170 4.520 -2.398 1.00 0.00 O ATOM 0 H SER B 51 -7.072 4.067 -4.688 1.00 0.00 H new ATOM 0 HA SER B 51 -4.662 5.426 -5.242 1.00 0.00 H new ATOM 0 HB2 SER B 51 -4.815 6.024 -2.833 1.00 0.00 H new ATOM 0 HB3 SER B 51 -6.376 6.184 -3.613 1.00 0.00 H new ATOM 0 HG SER B 51 -6.660 3.832 -2.895 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.416 2.639 -3.512 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.488 1.622 -3.046 1.00 0.00 C ATOM 1257 C TRP B 52 -2.734 1.009 -4.230 1.00 0.00 C ATOM 1258 O TRP B 52 -1.519 0.822 -4.174 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.271 0.536 -2.283 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.395 0.901 -0.832 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.560 1.070 -0.170 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.334 1.140 0.140 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.286 1.391 1.148 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -3.930 1.448 1.387 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.929 1.118 0.066 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.163 1.723 2.520 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.152 1.396 1.203 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.765 1.696 2.427 1.00 0.00 C ATOM 0 H TRP B 52 -5.399 2.419 -3.350 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.756 2.075 -2.377 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.262 0.418 -2.721 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.763 -0.424 -2.381 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.546 0.971 -0.600 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.000 1.564 1.856 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.445 0.886 -0.871 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.642 1.954 3.460 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.074 1.378 1.133 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.161 1.906 3.297 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.466 0.692 -5.293 1.00 0.00 N ATOM 1280 CA GLN B 53 -2.861 0.091 -6.481 1.00 0.00 C ATOM 1281 C GLN B 53 -1.871 1.052 -7.149 1.00 0.00 C ATOM 1282 O GLN B 53 -0.819 0.633 -7.625 1.00 0.00 O ATOM 1283 CB GLN B 53 -3.954 -0.304 -7.479 1.00 0.00 C ATOM 1284 CG GLN B 53 -4.707 -1.534 -6.958 1.00 0.00 C ATOM 1285 CD GLN B 53 -3.817 -2.772 -7.039 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -3.115 -3.095 -6.080 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -3.807 -3.489 -8.129 1.00 0.00 N ATOM 0 H GLN B 53 -4.473 0.839 -5.359 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.313 -0.797 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.647 0.525 -7.622 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -3.512 -0.521 -8.451 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -5.019 -1.368 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -5.613 -1.690 -7.544 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.389 -3.220 -8.922 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.217 -4.319 -8.188 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.217 2.338 -7.186 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.348 3.339 -7.807 1.00 0.00 C ATOM 1298 C ALA B 54 -0.034 3.487 -7.035 1.00 0.00 C ATOM 1299 O ALA B 54 1.031 3.640 -7.633 1.00 0.00 O ATOM 1300 CB ALA B 54 -2.067 4.690 -7.860 1.00 0.00 C ATOM 0 H ALA B 54 -3.084 2.710 -6.798 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.116 3.005 -8.818 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.415 5.431 -8.323 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.981 4.593 -8.446 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.317 5.009 -6.848 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.120 3.446 -5.708 1.00 0.00 N ATOM 1307 CA ALA B 55 1.070 3.579 -4.869 1.00 0.00 C ATOM 1308 C ALA B 55 2.002 2.379 -5.052 1.00 0.00 C ATOM 1309 O ALA B 55 3.220 2.532 -5.129 1.00 0.00 O ATOM 1310 CB ALA B 55 0.649 3.688 -3.401 1.00 0.00 C ATOM 0 H ALA B 55 -0.992 3.323 -5.193 1.00 0.00 H new ATOM 0 HA ALA B 55 1.608 4.479 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.536 3.787 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA B 55 0.012 4.563 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA B 55 0.099 2.792 -3.113 1.00 0.00 H new ATOM 1316 N ILE B 56 1.412 1.189 -5.122 1.00 0.00 N ATOM 1317 CA ILE B 56 2.187 -0.037 -5.298 1.00 0.00 C ATOM 1318 C ILE B 56 2.897 -0.032 -6.651 1.00 0.00 C ATOM 1319 O ILE B 56 4.072 -0.390 -6.751 1.00 0.00 O ATOM 1320 CB ILE B 56 1.252 -1.251 -5.202 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.729 -1.378 -3.766 1.00 0.00 C ATOM 1322 CG2 ILE B 56 2.010 -2.526 -5.580 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.437 -2.370 -3.726 1.00 0.00 C ATOM 0 H ILE B 56 0.404 1.047 -5.060 1.00 0.00 H new ATOM 0 HA ILE B 56 2.941 -0.095 -4.513 1.00 0.00 H new ATOM 0 HB ILE B 56 0.416 -1.114 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.528 -1.715 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.403 -0.404 -3.400 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.339 -3.382 -5.509 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.381 -2.439 -6.601 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.850 -2.665 -4.899 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.806 -2.457 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.240 -2.014 -4.372 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.097 -3.346 -4.074 1.00 0.00 H new ATOM 1335 N ASP B 57 2.170 0.369 -7.687 1.00 0.00 N ATOM 1336 CA ASP B 57 2.726 0.419 -9.035 1.00 0.00 C ATOM 1337 C ASP B 57 3.875 1.420 -9.110 1.00 0.00 C ATOM 1338 O ASP B 57 4.948 1.112 -9.629 1.00 0.00 O ATOM 1339 CB ASP B 57 1.625 0.811 -10.024 1.00 0.00 C ATOM 1340 CG ASP B 57 2.182 0.846 -11.441 1.00 0.00 C ATOM 1341 OD1 ASP B 57 3.383 0.702 -11.588 1.00 0.00 O ATOM 1342 OD2 ASP B 57 1.396 1.015 -12.360 1.00 0.00 O ATOM 0 H ASP B 57 1.196 0.664 -7.621 1.00 0.00 H new ATOM 0 HA ASP B 57 3.116 -0.566 -9.292 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.803 0.098 -9.966 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.219 1.788 -9.760 1.00 0.00 H new ATOM 1347 N ALA B 58 3.646 2.621 -8.588 1.00 0.00 N ATOM 1348 CA ALA B 58 4.673 3.657 -8.602 1.00 0.00 C ATOM 1349 C ALA B 58 5.868 3.239 -7.744 1.00 0.00 C ATOM 1350 O ALA B 58 7.019 3.430 -8.135 1.00 0.00 O ATOM 1351 CB ALA B 58 4.084 4.972 -8.081 1.00 0.00 C ATOM 0 H ALA B 58 2.766 2.900 -8.154 1.00 0.00 H new ATOM 0 HA ALA B 58 5.018 3.798 -9.626 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.853 5.745 -8.092 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.254 5.277 -8.718 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.726 4.831 -7.061 1.00 0.00 H new ATOM 1357 N ALA B 59 5.587 2.656 -6.580 1.00 0.00 N ATOM 1358 CA ALA B 59 6.649 2.204 -5.687 1.00 0.00 C ATOM 1359 C ALA B 59 7.458 1.091 -6.349 1.00 0.00 C ATOM 1360 O ALA B 59 8.686 1.086 -6.303 1.00 0.00 O ATOM 1361 CB ALA B 59 6.035 1.701 -4.372 1.00 0.00 C ATOM 0 H ALA B 59 4.642 2.487 -6.237 1.00 0.00 H new ATOM 0 HA ALA B 59 7.317 3.039 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.829 1.364 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.481 2.510 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.359 0.872 -4.580 1.00 0.00 H new ATOM 1367 N ARG B 60 6.752 0.158 -6.977 1.00 0.00 N ATOM 1368 CA ARG B 60 7.402 -0.953 -7.662 1.00 0.00 C ATOM 1369 C ARG B 60 8.252 -0.457 -8.824 1.00 0.00 C ATOM 1370 O ARG B 60 9.373 -0.927 -9.028 1.00 0.00 O ATOM 1371 CB ARG B 60 6.328 -1.908 -8.179 1.00 0.00 C ATOM 1372 CG ARG B 60 5.686 -2.652 -6.994 1.00 0.00 C ATOM 1373 CD ARG B 60 6.478 -3.932 -6.709 1.00 0.00 C ATOM 1374 NE ARG B 60 6.371 -4.811 -7.864 1.00 0.00 N ATOM 1375 CZ ARG B 60 7.114 -5.904 -7.990 1.00 0.00 C ATOM 1376 NH1 ARG B 60 8.034 -6.188 -7.110 1.00 0.00 N ATOM 1377 NH2 ARG B 60 6.928 -6.683 -9.017 1.00 0.00 N ATOM 0 H ARG B 60 5.733 0.148 -7.026 1.00 0.00 H new ATOM 0 HA ARG B 60 8.059 -1.467 -6.960 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.567 -1.353 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG B 60 6.767 -2.622 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG B 60 5.676 -2.013 -6.111 1.00 0.00 H new ATOM 0 HG3 ARG B 60 4.649 -2.896 -7.222 1.00 0.00 H new ATOM 0 HD2 ARG B 60 7.523 -3.694 -6.510 1.00 0.00 H new ATOM 0 HD3 ARG B 60 6.089 -4.427 -5.819 1.00 0.00 H new ATOM 0 HE ARG B 60 5.704 -4.580 -8.600 1.00 0.00 H new ATOM 0 HH11 ARG B 60 8.188 -5.568 -6.315 1.00 0.00 H new ATOM 0 HH12 ARG B 60 8.599 -7.030 -7.217 1.00 0.00 H new ATOM 0 HH21 ARG B 60 6.219 -6.450 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG B 60 7.492 -7.526 -9.126 1.00 0.00 H new ATOM 1391 N GLN B 61 7.715 0.491 -9.582 1.00 0.00 N ATOM 1392 CA GLN B 61 8.442 1.043 -10.716 1.00 0.00 C ATOM 1393 C GLN B 61 9.685 1.778 -10.227 1.00 0.00 C ATOM 1394 O GLN B 61 10.771 1.630 -10.788 1.00 0.00 O ATOM 1395 CB GLN B 61 7.541 2.007 -11.503 1.00 0.00 C ATOM 1396 CG GLN B 61 8.258 2.476 -12.775 1.00 0.00 C ATOM 1397 CD GLN B 61 8.490 1.298 -13.717 1.00 0.00 C ATOM 1398 OE1 GLN B 61 7.628 0.426 -13.847 1.00 0.00 O ATOM 1399 NE2 GLN B 61 9.609 1.219 -14.385 1.00 0.00 N ATOM 0 H GLN B 61 6.788 0.890 -9.434 1.00 0.00 H new ATOM 0 HA GLN B 61 8.744 0.227 -11.372 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.606 1.512 -11.765 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.284 2.866 -10.883 1.00 0.00 H new ATOM 0 HG2 GLN B 61 7.662 3.239 -13.276 1.00 0.00 H new ATOM 0 HG3 GLN B 61 9.211 2.936 -12.515 1.00 0.00 H new ATOM 0 HE21 GLN B 61 10.320 1.942 -14.276 1.00 0.00 H new ATOM 0 HE22 GLN B 61 9.772 0.435 -15.016 1.00 0.00 H new ATOM 1408 N ALA B 62 9.519 2.559 -9.164 1.00 0.00 N ATOM 1409 CA ALA B 62 10.631 3.309 -8.592 1.00 0.00 C ATOM 1410 C ALA B 62 11.737 2.357 -8.145 1.00 0.00 C ATOM 1411 O ALA B 62 12.920 2.633 -8.331 1.00 0.00 O ATOM 1412 CB ALA B 62 10.139 4.131 -7.398 1.00 0.00 C ATOM 0 H ALA B 62 8.629 2.689 -8.683 1.00 0.00 H new ATOM 0 HA ALA B 62 11.032 3.980 -9.352 1.00 0.00 H new ATOM 0 HB1 ALA B 62 10.973 4.690 -6.973 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.367 4.826 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.727 3.463 -6.642 1.00 0.00 H new ATOM 1418 N LYS B 63 11.339 1.228 -7.565 1.00 0.00 N ATOM 1419 CA LYS B 63 12.300 0.230 -7.107 1.00 0.00 C ATOM 1420 C LYS B 63 13.058 -0.365 -8.292 1.00 0.00 C ATOM 1421 O LYS B 63 14.249 -0.662 -8.195 1.00 0.00 O ATOM 1422 CB LYS B 63 11.575 -0.881 -6.345 1.00 0.00 C ATOM 1423 CG LYS B 63 12.597 -1.859 -5.759 1.00 0.00 C ATOM 1424 CD LYS B 63 11.871 -2.943 -4.959 1.00 0.00 C ATOM 1425 CE LYS B 63 12.893 -3.914 -4.364 1.00 0.00 C ATOM 1426 NZ LYS B 63 12.170 -4.961 -3.588 1.00 0.00 N ATOM 0 H LYS B 63 10.363 0.982 -7.402 1.00 0.00 H new ATOM 0 HA LYS B 63 13.015 0.715 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.969 -0.452 -5.547 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.894 -1.409 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS B 63 13.181 -2.313 -6.559 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.298 -1.326 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.281 -2.488 -4.164 1.00 0.00 H new ATOM 0 HD3 LYS B 63 11.176 -3.481 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.483 -4.373 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS B 63 13.589 -3.379 -3.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 12.857 -5.626 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 11.625 -4.513 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 11.523 -5.476 -4.219 1.00 0.00 H new ATOM 1440 N LEU B 64 12.350 -0.556 -9.404 1.00 0.00 N ATOM 1441 CA LEU B 64 12.964 -1.138 -10.593 1.00 0.00 C ATOM 1442 C LEU B 64 14.115 -0.267 -11.100 1.00 0.00 C ATOM 1443 O LEU B 64 15.207 -0.765 -11.372 1.00 0.00 O ATOM 1444 CB LEU B 64 11.900 -1.284 -11.697 1.00 0.00 C ATOM 1445 CG LEU B 64 12.540 -1.828 -12.984 1.00 0.00 C ATOM 1446 CD1 LEU B 64 13.231 -3.167 -12.700 1.00 0.00 C ATOM 1447 CD2 LEU B 64 11.454 -2.028 -14.044 1.00 0.00 C ATOM 0 H LEU B 64 11.363 -0.319 -9.505 1.00 0.00 H new ATOM 0 HA LEU B 64 13.367 -2.117 -10.331 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.109 -1.956 -11.363 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.435 -0.318 -11.894 1.00 0.00 H new ATOM 0 HG LEU B 64 13.281 -1.115 -13.346 1.00 0.00 H new ATOM 0 HD11 LEU B 64 13.682 -3.546 -13.617 1.00 0.00 H new ATOM 0 HD12 LEU B 64 14.006 -3.024 -11.947 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.497 -3.885 -12.334 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.905 -2.414 -14.958 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.713 -2.738 -13.677 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.969 -1.074 -14.253 1.00 0.00 H new ATOM 1459 N MET B 65 13.859 1.022 -11.233 1.00 0.00 N ATOM 1460 CA MET B 65 14.881 1.956 -11.721 1.00 0.00 C ATOM 1461 C MET B 65 15.912 2.247 -10.624 1.00 0.00 C ATOM 1462 O MET B 65 17.093 2.437 -10.907 1.00 0.00 O ATOM 1463 CB MET B 65 14.216 3.273 -12.194 1.00 0.00 C ATOM 1464 CG MET B 65 12.725 3.238 -11.859 1.00 0.00 C ATOM 1465 SD MET B 65 11.960 4.798 -12.342 1.00 0.00 S ATOM 1466 CE MET B 65 12.205 4.628 -14.126 1.00 0.00 C ATOM 0 H MET B 65 12.961 1.453 -11.014 1.00 0.00 H new ATOM 0 HA MET B 65 15.396 1.497 -12.565 1.00 0.00 H new ATOM 0 HB2 MET B 65 14.689 4.127 -11.709 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.356 3.399 -13.268 1.00 0.00 H new ATOM 0 HG2 MET B 65 12.244 2.409 -12.379 1.00 0.00 H new ATOM 0 HG3 MET B 65 12.586 3.068 -10.791 1.00 0.00 H new ATOM 0 HE1 MET B 65 11.320 4.987 -14.651 1.00 0.00 H new ATOM 0 HE2 MET B 65 13.071 5.215 -14.432 1.00 0.00 H new ATOM 0 HE3 MET B 65 12.372 3.579 -14.372 1.00 0.00 H new ATOM 1476 N GLY B 66 15.449 2.293 -9.376 1.00 0.00 N ATOM 1477 CA GLY B 66 16.336 2.570 -8.247 1.00 0.00 C ATOM 1478 C GLY B 66 16.527 4.073 -8.017 1.00 0.00 C ATOM 1479 O GLY B 66 17.400 4.480 -7.253 1.00 0.00 O ATOM 0 H GLY B 66 14.473 2.143 -9.122 1.00 0.00 H new ATOM 0 HA2 GLY B 66 15.926 2.115 -7.345 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.306 2.105 -8.426 1.00 0.00 H new ATOM 1483 N SER B 67 15.711 4.892 -8.677 1.00 0.00 N ATOM 1484 CA SER B 67 15.813 6.344 -8.524 1.00 0.00 C ATOM 1485 C SER B 67 17.269 6.791 -8.632 1.00 0.00 C ATOM 1486 O SER B 67 17.621 7.905 -8.244 1.00 0.00 O ATOM 1487 CB SER B 67 15.247 6.768 -7.166 1.00 0.00 C ATOM 1488 OG SER B 67 15.588 8.127 -6.916 1.00 0.00 O ATOM 0 H SER B 67 14.979 4.581 -9.316 1.00 0.00 H new ATOM 0 HA SER B 67 15.238 6.817 -9.320 1.00 0.00 H new ATOM 0 HB2 SER B 67 14.164 6.646 -7.157 1.00 0.00 H new ATOM 0 HB3 SER B 67 15.647 6.130 -6.378 1.00 0.00 H new ATOM 0 HG SER B 67 16.203 8.443 -7.610 1.00 0.00 H new ATOM 1494 N ALA B 68 18.108 5.906 -9.166 1.00 0.00 N ATOM 1495 CA ALA B 68 19.526 6.204 -9.332 1.00 0.00 C ATOM 1496 C ALA B 68 20.112 6.788 -8.051 1.00 0.00 C ATOM 1497 O ALA B 68 20.504 7.944 -8.074 1.00 0.00 O ATOM 1498 CB ALA B 68 19.723 7.185 -10.489 1.00 0.00 C ATOM 1499 OXT ALA B 68 20.163 6.073 -7.063 1.00 0.00 O ATOM 0 H ALA B 68 17.830 4.980 -9.490 1.00 0.00 H new ATOM 0 HA ALA B 68 20.047 5.273 -9.556 1.00 0.00 H new ATOM 0 HB1 ALA B 68 20.785 7.402 -10.605 1.00 0.00 H new ATOM 0 HB2 ALA B 68 19.340 6.744 -11.409 1.00 0.00 H new ATOM 0 HB3 ALA B 68 19.185 8.109 -10.278 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.859 1.904 11.148 1.00 0.00 CA HETATM 1507 CA CA A 102 -3.008 -1.579 12.919 1.00 0.00 CA