USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1012 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 58 MET CE :methyl -175:sc= -3.75 (180deg=-3.97) USER MOD Set 1.2: A 92 ASN : amide:sc= -0.239 K(o=-4,f=-6.6!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.179 K(o=-0.18,f=-0.88) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= -0.955 (180deg=-2.42!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.2!) USER MOD Single : A 23 SER OG : rot 180:sc= -1.22 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 68:sc= 0.551 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= -0.152 K(o=-0.15,f=-1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 51 THR OG1 : rot 110:sc= 0.286 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 55 SER OG : rot 180:sc= -0.759 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= -4.65! (180deg=-4.65!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.872 X(o=-0.87,f=-1.3) USER MOD Single : A 78 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.05) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 87 HIS : no HE2:sc= -2.82 K(o=-2.8,f=-1.8) USER MOD Single : A 88 MET CE :methyl -104:sc= -1.69 (180deg=-5.38!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.32 X(o=-1.3,f=-0.93) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 162:sc= -2.66 (180deg=-4.04!) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 101 LYS NZ :NH3+ 163:sc= -1.58! (180deg=-2.09!) USER MOD Single : A 102 MET CE :methyl -160:sc= -1.39 (180deg=-2.38) USER MOD Single : A 103 THR OG1 : rot 89:sc= 1.13 USER MOD Single : A 105 GLN : amide:sc= -0.256 K(o=-0.26,f=-2.1!) USER MOD Single : A 106 GLN : amide:sc= -0.0326 X(o=-0.033,f=-0.011) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -81:sc= 0.71 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 457 SER OG : rot -162:sc= -0.243 USER MOD Single : B 460 TYR OH : rot 180:sc= 0 USER MOD Single : B 464 THR OG1 : rot -88:sc= 1.27 USER MOD Single : B 465 THR OG1 : rot -95:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 6.147 15.383 12.036 1.00 0.00 N ATOM 2 CA PRO A 1 5.264 16.238 12.874 1.00 0.00 C ATOM 3 C PRO A 1 3.795 16.087 12.482 1.00 0.00 C ATOM 4 O PRO A 1 2.919 15.995 13.343 1.00 0.00 O ATOM 5 CB PRO A 1 5.716 17.684 12.692 1.00 0.00 C ATOM 6 CG PRO A 1 6.953 17.584 11.864 1.00 0.00 C ATOM 7 CD PRO A 1 6.857 16.280 11.110 1.00 0.00 C ATOM 0 H2 PRO A 1 5.600 14.693 11.522 1.00 0.00 H new ATOM 0 H3 PRO A 1 6.808 14.867 12.617 1.00 0.00 H new ATOM 0 HA PRO A 1 5.344 15.933 13.918 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.951 18.280 12.194 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.917 18.161 13.651 1.00 0.00 H new ATOM 0 HG2 PRO A 1 7.029 18.426 11.176 1.00 0.00 H new ATOM 0 HG3 PRO A 1 7.844 17.605 12.492 1.00 0.00 H new ATOM 0 HD2 PRO A 1 6.312 16.400 10.174 1.00 0.00 H new ATOM 0 HD3 PRO A 1 7.844 15.892 10.857 1.00 0.00 H new ATOM 17 N SER A 2 3.534 16.063 11.179 1.00 0.00 N ATOM 18 CA SER A 2 2.173 15.923 10.675 1.00 0.00 C ATOM 19 C SER A 2 2.098 14.841 9.603 1.00 0.00 C ATOM 20 O SER A 2 1.290 14.923 8.678 1.00 0.00 O ATOM 21 CB SER A 2 1.679 17.255 10.107 1.00 0.00 C ATOM 22 OG SER A 2 0.293 17.430 10.349 1.00 0.00 O ATOM 0 H SER A 2 4.247 16.139 10.453 1.00 0.00 H new ATOM 0 HA SER A 2 1.532 15.630 11.507 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.237 18.076 10.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.872 17.291 9.035 1.00 0.00 H new ATOM 0 HG SER A 2 0.002 18.289 9.978 1.00 0.00 H new ATOM 28 N HIS A 3 2.947 13.826 9.733 1.00 0.00 N ATOM 29 CA HIS A 3 2.977 12.727 8.775 1.00 0.00 C ATOM 30 C HIS A 3 2.294 11.489 9.346 1.00 0.00 C ATOM 31 O HIS A 3 2.950 10.604 9.896 1.00 0.00 O ATOM 32 CB HIS A 3 4.420 12.396 8.391 1.00 0.00 C ATOM 33 CG HIS A 3 5.116 13.507 7.668 1.00 0.00 C ATOM 34 ND1 HIS A 3 5.544 14.660 8.292 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.461 13.637 6.364 1.00 0.00 C ATOM 36 CE1 HIS A 3 6.120 15.452 7.404 1.00 0.00 C ATOM 37 NE2 HIS A 3 6.082 14.854 6.227 1.00 0.00 N ATOM 0 H HIS A 3 3.623 13.742 10.492 1.00 0.00 H new ATOM 0 HA HIS A 3 2.434 13.041 7.883 1.00 0.00 H new ATOM 0 HB2 HIS A 3 4.981 12.153 9.293 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.425 11.505 7.763 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.281 12.918 5.579 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.549 16.422 7.606 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.454 15.235 5.357 1.00 0.00 H new ATOM 46 N SER A 4 0.973 11.433 9.212 1.00 0.00 N ATOM 47 CA SER A 4 0.200 10.303 9.714 1.00 0.00 C ATOM 48 C SER A 4 -1.253 10.394 9.263 1.00 0.00 C ATOM 49 O SER A 4 -1.721 11.456 8.853 1.00 0.00 O ATOM 50 CB SER A 4 0.270 10.249 11.241 1.00 0.00 C ATOM 51 OG SER A 4 -0.021 11.514 11.810 1.00 0.00 O ATOM 0 H SER A 4 0.415 12.157 8.760 1.00 0.00 H new ATOM 0 HA SER A 4 0.631 9.390 9.305 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.436 9.508 11.615 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.264 9.927 11.551 1.00 0.00 H new ATOM 0 HG SER A 4 0.029 11.453 12.787 1.00 0.00 H new ATOM 57 N GLY A 5 -1.964 9.273 9.340 1.00 0.00 N ATOM 58 CA GLY A 5 -3.357 9.249 8.936 1.00 0.00 C ATOM 59 C GLY A 5 -4.071 7.989 9.383 1.00 0.00 C ATOM 60 O GLY A 5 -3.484 6.907 9.402 1.00 0.00 O ATOM 0 H GLY A 5 -1.600 8.381 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.867 10.118 9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.418 9.332 7.851 1.00 0.00 H new ATOM 64 N ALA A 6 -5.342 8.129 9.746 1.00 0.00 N ATOM 65 CA ALA A 6 -6.138 6.995 10.197 1.00 0.00 C ATOM 66 C ALA A 6 -6.302 5.962 9.087 1.00 0.00 C ATOM 67 O ALA A 6 -7.085 6.155 8.157 1.00 0.00 O ATOM 68 CB ALA A 6 -7.499 7.468 10.686 1.00 0.00 C ATOM 0 H ALA A 6 -5.842 9.018 9.736 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.611 6.519 11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.084 6.611 11.020 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.366 8.162 11.516 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.023 7.970 9.873 1.00 0.00 H new ATOM 74 N ALA A 7 -5.561 4.864 9.194 1.00 0.00 N ATOM 75 CA ALA A 7 -5.625 3.799 8.200 1.00 0.00 C ATOM 76 C ALA A 7 -6.044 2.480 8.840 1.00 0.00 C ATOM 77 O ALA A 7 -5.633 2.163 9.956 1.00 0.00 O ATOM 78 CB ALA A 7 -4.281 3.646 7.503 1.00 0.00 C ATOM 0 H ALA A 7 -4.909 4.689 9.959 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.377 4.070 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.343 2.848 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.020 4.581 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.515 3.400 8.239 1.00 0.00 H new ATOM 84 N ILE A 8 -6.863 1.714 8.127 1.00 0.00 N ATOM 85 CA ILE A 8 -7.337 0.430 8.629 1.00 0.00 C ATOM 86 C ILE A 8 -6.672 -0.728 7.892 1.00 0.00 C ATOM 87 O ILE A 8 -6.660 -0.769 6.662 1.00 0.00 O ATOM 88 CB ILE A 8 -8.866 0.297 8.492 1.00 0.00 C ATOM 89 CG1 ILE A 8 -9.559 1.573 8.975 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.364 -0.910 9.272 1.00 0.00 C ATOM 91 CD1 ILE A 8 -9.534 2.696 7.962 1.00 0.00 C ATOM 0 H ILE A 8 -7.212 1.960 7.201 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.071 0.389 9.685 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.109 0.152 7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.595 1.342 9.224 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.079 1.912 9.893 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.446 -0.991 9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.893 -1.813 8.885 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.111 -0.792 10.326 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.043 3.568 8.373 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.501 2.955 7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.040 2.376 7.051 1.00 0.00 H new ATOM 103 N PHE A 9 -6.123 -1.667 8.654 1.00 0.00 N ATOM 104 CA PHE A 9 -5.458 -2.829 8.075 1.00 0.00 C ATOM 105 C PHE A 9 -5.905 -4.110 8.770 1.00 0.00 C ATOM 106 O PHE A 9 -5.907 -4.193 9.999 1.00 0.00 O ATOM 107 CB PHE A 9 -3.939 -2.680 8.180 1.00 0.00 C ATOM 108 CG PHE A 9 -3.186 -3.491 7.164 1.00 0.00 C ATOM 109 CD1 PHE A 9 -3.566 -3.485 5.832 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.096 -4.260 7.543 1.00 0.00 C ATOM 111 CE1 PHE A 9 -2.875 -4.230 4.896 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.401 -5.007 6.611 1.00 0.00 C ATOM 113 CZ PHE A 9 -1.790 -4.992 5.286 1.00 0.00 C ATOM 0 H PHE A 9 -6.125 -1.647 9.674 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.736 -2.890 7.023 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.676 -1.629 8.062 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.621 -2.978 9.179 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.413 -2.891 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.787 -4.275 8.578 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.182 -4.217 3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.554 -5.602 6.919 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.247 -5.575 4.556 1.00 0.00 H new ATOM 123 N GLU A 10 -6.286 -5.106 7.977 1.00 0.00 N ATOM 124 CA GLU A 10 -6.738 -6.384 8.517 1.00 0.00 C ATOM 125 C GLU A 10 -8.019 -6.210 9.327 1.00 0.00 C ATOM 126 O GLU A 10 -8.217 -6.875 10.343 1.00 0.00 O ATOM 127 CB GLU A 10 -5.648 -7.009 9.391 1.00 0.00 C ATOM 128 CG GLU A 10 -4.285 -7.061 8.720 1.00 0.00 C ATOM 129 CD GLU A 10 -3.165 -7.355 9.698 1.00 0.00 C ATOM 130 OE1 GLU A 10 -3.049 -6.625 10.706 1.00 0.00 O ATOM 131 OE2 GLU A 10 -2.402 -8.314 9.457 1.00 0.00 O ATOM 0 H GLU A 10 -6.291 -5.053 6.958 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.947 -7.050 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.566 -6.440 10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.948 -8.021 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.295 -7.826 7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.091 -6.109 8.226 1.00 0.00 H new ATOM 138 N LYS A 11 -8.886 -5.313 8.868 1.00 0.00 N ATOM 139 CA LYS A 11 -10.151 -5.050 9.547 1.00 0.00 C ATOM 140 C LYS A 11 -9.915 -4.460 10.933 1.00 0.00 C ATOM 141 O LYS A 11 -10.663 -4.734 11.872 1.00 0.00 O ATOM 142 CB LYS A 11 -10.974 -6.336 9.660 1.00 0.00 C ATOM 143 CG LYS A 11 -11.246 -7.004 8.322 1.00 0.00 C ATOM 144 CD LYS A 11 -10.369 -8.230 8.120 1.00 0.00 C ATOM 145 CE LYS A 11 -9.929 -8.368 6.672 1.00 0.00 C ATOM 146 NZ LYS A 11 -9.329 -7.109 6.150 1.00 0.00 N ATOM 0 H LYS A 11 -8.736 -4.755 8.027 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.706 -4.324 8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.448 -7.038 10.307 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.924 -6.108 10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.295 -7.293 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.068 -6.292 7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.492 -8.161 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.916 -9.123 8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.204 -9.177 6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.786 -8.644 6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.632 -7.336 5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.077 -6.509 5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.859 -6.601 6.926 1.00 0.00 H new ATOM 160 N VAL A 12 -8.872 -3.645 11.055 1.00 0.00 N ATOM 161 CA VAL A 12 -8.540 -3.012 12.325 1.00 0.00 C ATOM 162 C VAL A 12 -8.272 -1.523 12.140 1.00 0.00 C ATOM 163 O VAL A 12 -7.500 -1.125 11.269 1.00 0.00 O ATOM 164 CB VAL A 12 -7.308 -3.670 12.979 1.00 0.00 C ATOM 165 CG1 VAL A 12 -6.991 -3.014 14.316 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.531 -5.163 13.153 1.00 0.00 C ATOM 0 H VAL A 12 -8.242 -3.408 10.289 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.401 -3.146 12.980 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.452 -3.525 12.319 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.119 -3.494 14.759 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.783 -1.955 14.162 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.844 -3.122 14.986 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.652 -5.611 13.616 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.400 -5.329 13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.701 -5.621 12.179 1.00 0.00 H new ATOM 176 N SER A 13 -8.914 -0.706 12.966 1.00 0.00 N ATOM 177 CA SER A 13 -8.744 0.740 12.896 1.00 0.00 C ATOM 178 C SER A 13 -7.487 1.173 13.643 1.00 0.00 C ATOM 179 O SER A 13 -7.303 0.836 14.812 1.00 0.00 O ATOM 180 CB SER A 13 -9.968 1.448 13.478 1.00 0.00 C ATOM 181 OG SER A 13 -11.168 0.923 12.937 1.00 0.00 O ATOM 0 H SER A 13 -9.557 -1.020 13.692 1.00 0.00 H new ATOM 0 HA SER A 13 -8.638 1.020 11.848 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.975 1.336 14.562 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.908 2.516 13.268 1.00 0.00 H new ATOM 0 HG SER A 13 -11.935 1.392 13.327 1.00 0.00 H new ATOM 187 N GLY A 14 -6.625 1.920 12.962 1.00 0.00 N ATOM 188 CA GLY A 14 -5.398 2.383 13.581 1.00 0.00 C ATOM 189 C GLY A 14 -4.831 3.613 12.902 1.00 0.00 C ATOM 190 O GLY A 14 -5.333 4.045 11.864 1.00 0.00 O ATOM 0 H GLY A 14 -6.754 2.213 11.993 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.587 2.607 14.631 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.658 1.584 13.554 1.00 0.00 H new ATOM 194 N ILE A 15 -3.783 4.179 13.490 1.00 0.00 N ATOM 195 CA ILE A 15 -3.145 5.368 12.937 1.00 0.00 C ATOM 196 C ILE A 15 -1.814 5.019 12.282 1.00 0.00 C ATOM 197 O ILE A 15 -0.992 4.312 12.864 1.00 0.00 O ATOM 198 CB ILE A 15 -2.903 6.435 14.022 1.00 0.00 C ATOM 199 CG1 ILE A 15 -4.144 6.596 14.904 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.525 7.762 13.384 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.408 6.895 14.126 1.00 0.00 C ATOM 0 H ILE A 15 -3.357 3.833 14.350 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.825 5.772 12.187 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.076 6.107 14.652 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.290 5.683 15.481 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.969 7.400 15.619 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.357 8.506 14.163 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.614 7.638 12.799 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.332 8.095 12.732 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.245 6.996 14.817 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.282 7.824 13.570 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.608 6.080 13.430 1.00 0.00 H new ATOM 213 N ILE A 16 -1.606 5.518 11.067 1.00 0.00 N ATOM 214 CA ILE A 16 -0.372 5.255 10.339 1.00 0.00 C ATOM 215 C ILE A 16 0.581 6.446 10.422 1.00 0.00 C ATOM 216 O ILE A 16 0.149 7.592 10.551 1.00 0.00 O ATOM 217 CB ILE A 16 -0.654 4.902 8.857 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.289 3.792 8.393 1.00 0.00 C ATOM 219 CG2 ILE A 16 -0.522 6.125 7.956 1.00 0.00 C ATOM 220 CD1 ILE A 16 -0.319 2.877 7.353 1.00 0.00 C ATOM 0 H ILE A 16 -2.275 6.105 10.568 1.00 0.00 H new ATOM 0 HA ILE A 16 0.104 4.395 10.811 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.683 4.549 8.785 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.194 4.242 7.984 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.590 3.198 9.256 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.727 5.840 6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.235 6.887 8.270 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.490 6.523 8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.407 2.114 7.071 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.208 2.398 7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.595 3.459 6.473 1.00 0.00 H new ATOM 232 N ALA A 17 1.876 6.166 10.347 1.00 0.00 N ATOM 233 CA ALA A 17 2.890 7.210 10.413 1.00 0.00 C ATOM 234 C ALA A 17 4.039 6.916 9.456 1.00 0.00 C ATOM 235 O ALA A 17 4.677 5.867 9.541 1.00 0.00 O ATOM 236 CB ALA A 17 3.408 7.354 11.836 1.00 0.00 C ATOM 0 H ALA A 17 2.249 5.223 10.240 1.00 0.00 H new ATOM 0 HA ALA A 17 2.430 8.151 10.110 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.165 8.138 11.870 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.583 7.617 12.499 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.847 6.411 12.160 1.00 0.00 H new ATOM 242 N ILE A 18 4.297 7.847 8.545 1.00 0.00 N ATOM 243 CA ILE A 18 5.370 7.684 7.572 1.00 0.00 C ATOM 244 C ILE A 18 6.687 8.229 8.108 1.00 0.00 C ATOM 245 O ILE A 18 6.744 9.341 8.634 1.00 0.00 O ATOM 246 CB ILE A 18 5.037 8.390 6.244 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.627 8.014 5.783 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.066 8.029 5.182 1.00 0.00 C ATOM 249 CD1 ILE A 18 3.264 8.568 4.423 1.00 0.00 C ATOM 0 H ILE A 18 3.779 8.721 8.460 1.00 0.00 H new ATOM 0 HA ILE A 18 5.471 6.614 7.390 1.00 0.00 H new ATOM 0 HB ILE A 18 5.070 9.468 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.540 6.928 5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.906 8.375 6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.818 8.535 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.056 8.343 5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.061 6.951 5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.251 8.260 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.318 9.656 4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.961 8.187 3.677 1.00 0.00 H new ATOM 261 N ASN A 19 7.746 7.439 7.971 1.00 0.00 N ATOM 262 CA ASN A 19 9.066 7.841 8.441 1.00 0.00 C ATOM 263 C ASN A 19 9.993 8.137 7.266 1.00 0.00 C ATOM 264 O ASN A 19 10.584 7.227 6.685 1.00 0.00 O ATOM 265 CB ASN A 19 9.673 6.747 9.321 1.00 0.00 C ATOM 266 CG ASN A 19 9.272 6.888 10.777 1.00 0.00 C ATOM 267 OD1 ASN A 19 9.138 7.998 11.291 1.00 0.00 O ATOM 268 ND2 ASN A 19 9.078 5.759 11.449 1.00 0.00 N ATOM 0 H ASN A 19 7.716 6.516 7.538 1.00 0.00 H new ATOM 0 HA ASN A 19 8.953 8.750 9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.357 5.771 8.953 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.760 6.781 9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.807 5.791 12.432 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.200 4.860 10.982 1.00 0.00 H new ATOM 275 N GLU A 20 10.115 9.415 6.923 1.00 0.00 N ATOM 276 CA GLU A 20 10.970 9.832 5.819 1.00 0.00 C ATOM 277 C GLU A 20 12.280 10.417 6.336 1.00 0.00 C ATOM 278 O GLU A 20 12.897 11.257 5.681 1.00 0.00 O ATOM 279 CB GLU A 20 10.247 10.861 4.947 1.00 0.00 C ATOM 280 CG GLU A 20 8.810 10.485 4.626 1.00 0.00 C ATOM 281 CD GLU A 20 8.099 11.544 3.808 1.00 0.00 C ATOM 282 OE1 GLU A 20 8.670 11.990 2.790 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.972 11.928 4.185 1.00 0.00 O ATOM 0 H GLU A 20 9.632 10.180 7.394 1.00 0.00 H new ATOM 0 HA GLU A 20 11.199 8.952 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.257 11.826 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.798 10.986 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.799 9.541 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.265 10.322 5.556 1.00 0.00 H new ATOM 290 N ASP A 21 12.701 9.966 7.513 1.00 0.00 N ATOM 291 CA ASP A 21 13.938 10.444 8.117 1.00 0.00 C ATOM 292 C ASP A 21 15.122 9.589 7.678 1.00 0.00 C ATOM 293 O ASP A 21 16.252 10.071 7.594 1.00 0.00 O ATOM 294 CB ASP A 21 13.824 10.432 9.643 1.00 0.00 C ATOM 295 CG ASP A 21 14.814 11.371 10.304 1.00 0.00 C ATOM 296 OD1 ASP A 21 16.032 11.111 10.211 1.00 0.00 O ATOM 297 OD2 ASP A 21 14.371 12.366 10.915 1.00 0.00 O ATOM 0 H ASP A 21 12.203 9.270 8.067 1.00 0.00 H new ATOM 0 HA ASP A 21 14.106 11.467 7.781 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.811 10.714 9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.989 9.419 10.009 1.00 0.00 H new ATOM 302 N VAL A 22 14.856 8.317 7.398 1.00 0.00 N ATOM 303 CA VAL A 22 15.900 7.395 6.966 1.00 0.00 C ATOM 304 C VAL A 22 16.007 7.363 5.445 1.00 0.00 C ATOM 305 O VAL A 22 15.289 8.079 4.747 1.00 0.00 O ATOM 306 CB VAL A 22 15.639 5.969 7.487 1.00 0.00 C ATOM 307 CG1 VAL A 22 15.902 5.890 8.982 1.00 0.00 C ATOM 308 CG2 VAL A 22 14.218 5.538 7.166 1.00 0.00 C ATOM 0 H VAL A 22 13.927 7.902 7.463 1.00 0.00 H new ATOM 0 HA VAL A 22 16.839 7.757 7.384 1.00 0.00 H new ATOM 0 HB VAL A 22 16.325 5.287 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.712 4.875 9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.940 6.155 9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.243 6.583 9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.051 4.528 7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.514 6.222 7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.068 5.554 6.086 1.00 0.00 H new ATOM 318 N SER A 23 16.911 6.532 4.936 1.00 0.00 N ATOM 319 CA SER A 23 17.115 6.411 3.497 1.00 0.00 C ATOM 320 C SER A 23 15.939 5.700 2.827 1.00 0.00 C ATOM 321 O SER A 23 15.276 6.267 1.959 1.00 0.00 O ATOM 322 CB SER A 23 18.416 5.658 3.206 1.00 0.00 C ATOM 323 OG SER A 23 18.906 5.014 4.369 1.00 0.00 O ATOM 0 H SER A 23 17.514 5.932 5.499 1.00 0.00 H new ATOM 0 HA SER A 23 17.183 7.417 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 23 18.244 4.919 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 23 19.166 6.354 2.829 1.00 0.00 H new ATOM 0 HG SER A 23 19.736 4.539 4.155 1.00 0.00 H new ATOM 329 N PRO A 24 15.668 4.443 3.217 1.00 0.00 N ATOM 330 CA PRO A 24 14.571 3.657 2.642 1.00 0.00 C ATOM 331 C PRO A 24 13.198 4.135 3.106 1.00 0.00 C ATOM 332 O PRO A 24 12.217 4.043 2.368 1.00 0.00 O ATOM 333 CB PRO A 24 14.844 2.243 3.156 1.00 0.00 C ATOM 334 CG PRO A 24 15.585 2.444 4.432 1.00 0.00 C ATOM 335 CD PRO A 24 16.413 3.685 4.242 1.00 0.00 C ATOM 0 HA PRO A 24 14.543 3.737 1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.916 1.694 3.318 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.433 1.668 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.896 2.559 5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.217 1.584 4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.508 4.250 5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.423 3.446 3.909 1.00 0.00 H new ATOM 343 N ALA A 25 13.134 4.641 4.334 1.00 0.00 N ATOM 344 CA ALA A 25 11.878 5.127 4.897 1.00 0.00 C ATOM 345 C ALA A 25 10.864 3.997 5.023 1.00 0.00 C ATOM 346 O ALA A 25 10.798 3.112 4.170 1.00 0.00 O ATOM 347 CB ALA A 25 11.317 6.255 4.045 1.00 0.00 C ATOM 0 H ALA A 25 13.936 4.725 4.958 1.00 0.00 H new ATOM 0 HA ALA A 25 12.079 5.513 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.380 6.607 4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.033 7.077 4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.135 5.891 3.034 1.00 0.00 H new ATOM 353 N GLU A 26 10.078 4.026 6.094 1.00 0.00 N ATOM 354 CA GLU A 26 9.073 2.994 6.328 1.00 0.00 C ATOM 355 C GLU A 26 7.768 3.593 6.842 1.00 0.00 C ATOM 356 O GLU A 26 7.731 4.738 7.294 1.00 0.00 O ATOM 357 CB GLU A 26 9.599 1.961 7.327 1.00 0.00 C ATOM 358 CG GLU A 26 10.834 1.220 6.843 1.00 0.00 C ATOM 359 CD GLU A 26 11.698 0.720 7.985 1.00 0.00 C ATOM 360 OE1 GLU A 26 11.261 -0.209 8.696 1.00 0.00 O ATOM 361 OE2 GLU A 26 12.810 1.257 8.167 1.00 0.00 O ATOM 0 H GLU A 26 10.117 4.750 6.812 1.00 0.00 H new ATOM 0 HA GLU A 26 8.870 2.506 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.831 2.462 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.811 1.238 7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.528 0.375 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.424 1.881 6.208 1.00 0.00 H new ATOM 368 N LEU A 27 6.700 2.804 6.770 1.00 0.00 N ATOM 369 CA LEU A 27 5.386 3.240 7.228 1.00 0.00 C ATOM 370 C LEU A 27 4.961 2.456 8.467 1.00 0.00 C ATOM 371 O LEU A 27 4.849 1.231 8.428 1.00 0.00 O ATOM 372 CB LEU A 27 4.352 3.058 6.113 1.00 0.00 C ATOM 373 CG LEU A 27 3.608 4.331 5.709 1.00 0.00 C ATOM 374 CD1 LEU A 27 4.096 4.829 4.357 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.105 4.090 5.680 1.00 0.00 C ATOM 0 H LEU A 27 6.720 1.855 6.397 1.00 0.00 H new ATOM 0 HA LEU A 27 5.446 4.297 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.855 2.654 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.622 2.314 6.433 1.00 0.00 H new ATOM 0 HG LEU A 27 3.816 5.099 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.555 5.736 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.163 5.046 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.920 4.063 3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.595 5.009 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.876 3.305 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.766 3.784 6.670 1.00 0.00 H new ATOM 387 N THR A 28 4.727 3.168 9.564 1.00 0.00 N ATOM 388 CA THR A 28 4.317 2.533 10.811 1.00 0.00 C ATOM 389 C THR A 28 2.803 2.604 10.987 1.00 0.00 C ATOM 390 O THR A 28 2.199 3.663 10.827 1.00 0.00 O ATOM 391 CB THR A 28 5.012 3.199 11.999 1.00 0.00 C ATOM 392 OG1 THR A 28 6.281 3.700 11.621 1.00 0.00 O ATOM 393 CG2 THR A 28 5.217 2.265 13.172 1.00 0.00 C ATOM 0 H THR A 28 4.814 4.183 9.615 1.00 0.00 H new ATOM 0 HA THR A 28 4.610 1.484 10.769 1.00 0.00 H new ATOM 0 HB THR A 28 4.346 4.005 12.309 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.709 4.124 12.394 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.715 2.800 13.981 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.251 1.900 13.520 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.833 1.421 12.862 1.00 0.00 H new ATOM 401 N TRP A 29 2.197 1.468 11.319 1.00 0.00 N ATOM 402 CA TRP A 29 0.754 1.401 11.519 1.00 0.00 C ATOM 403 C TRP A 29 0.422 0.701 12.834 1.00 0.00 C ATOM 404 O TRP A 29 0.607 -0.508 12.967 1.00 0.00 O ATOM 405 CB TRP A 29 0.091 0.667 10.349 1.00 0.00 C ATOM 406 CG TRP A 29 -1.371 0.402 10.554 1.00 0.00 C ATOM 407 CD1 TRP A 29 -2.402 1.265 10.317 1.00 0.00 C ATOM 408 CD2 TRP A 29 -1.962 -0.807 11.042 1.00 0.00 C ATOM 409 NE1 TRP A 29 -3.599 0.665 10.627 1.00 0.00 N ATOM 410 CE2 TRP A 29 -3.355 -0.608 11.074 1.00 0.00 C ATOM 411 CE3 TRP A 29 -1.449 -2.041 11.454 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -4.239 -1.595 11.501 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -2.328 -3.020 11.877 1.00 0.00 C ATOM 414 CH2 TRP A 29 -3.709 -2.792 11.898 1.00 0.00 C ATOM 0 H TRP A 29 2.683 0.582 11.455 1.00 0.00 H new ATOM 0 HA TRP A 29 0.367 2.419 11.564 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.221 1.257 9.441 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.604 -0.281 10.189 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.293 2.272 9.941 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.519 1.096 10.539 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.385 -2.226 11.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.305 -1.422 11.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.943 -3.977 12.197 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -4.370 -3.577 12.235 1.00 0.00 H new ATOM 425 N ARG A 30 -0.068 1.468 13.802 1.00 0.00 N ATOM 426 CA ARG A 30 -0.425 0.919 15.105 1.00 0.00 C ATOM 427 C ARG A 30 -1.937 0.912 15.299 1.00 0.00 C ATOM 428 O ARG A 30 -2.626 1.860 14.922 1.00 0.00 O ATOM 429 CB ARG A 30 0.240 1.726 16.222 1.00 0.00 C ATOM 430 CG ARG A 30 -0.088 3.210 16.178 1.00 0.00 C ATOM 431 CD ARG A 30 0.976 3.993 15.426 1.00 0.00 C ATOM 432 NE ARG A 30 1.210 5.307 16.020 1.00 0.00 N ATOM 433 CZ ARG A 30 2.146 6.155 15.599 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.937 5.831 14.583 1.00 0.00 N ATOM 435 NH2 ARG A 30 2.293 7.330 16.195 1.00 0.00 N ATOM 0 H ARG A 30 -0.227 2.471 13.709 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.068 -0.110 15.146 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.071 1.322 17.185 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.321 1.599 16.157 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.056 3.356 15.698 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.175 3.595 17.194 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.907 3.426 15.421 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.670 4.114 14.387 1.00 0.00 H new ATOM 0 HE ARG A 30 0.622 5.591 16.803 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.829 4.928 14.121 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.652 6.485 14.265 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.689 7.585 16.976 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.010 7.979 15.872 1.00 0.00 H new ATOM 449 N SER A 31 -2.449 -0.164 15.889 1.00 0.00 N ATOM 450 CA SER A 31 -3.882 -0.293 16.133 1.00 0.00 C ATOM 451 C SER A 31 -4.389 0.851 17.006 1.00 0.00 C ATOM 452 O SER A 31 -3.698 1.300 17.921 1.00 0.00 O ATOM 453 CB SER A 31 -4.192 -1.636 16.798 1.00 0.00 C ATOM 454 OG SER A 31 -3.636 -2.710 16.060 1.00 0.00 O ATOM 0 H SER A 31 -1.894 -0.958 16.207 1.00 0.00 H new ATOM 0 HA SER A 31 -4.394 -0.248 15.172 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.794 -1.643 17.813 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.271 -1.766 16.878 1.00 0.00 H new ATOM 0 HG SER A 31 -2.658 -2.671 16.112 1.00 0.00 H new ATOM 460 N THR A 32 -5.598 1.321 16.715 1.00 0.00 N ATOM 461 CA THR A 32 -6.196 2.416 17.472 1.00 0.00 C ATOM 462 C THR A 32 -6.332 2.053 18.948 1.00 0.00 C ATOM 463 O THR A 32 -5.984 2.843 19.826 1.00 0.00 O ATOM 464 CB THR A 32 -7.566 2.778 16.893 1.00 0.00 C ATOM 465 OG1 THR A 32 -8.071 3.954 17.499 1.00 0.00 O ATOM 466 CG2 THR A 32 -8.603 1.689 17.071 1.00 0.00 C ATOM 0 H THR A 32 -6.183 0.961 15.961 1.00 0.00 H new ATOM 0 HA THR A 32 -5.536 3.280 17.391 1.00 0.00 H new ATOM 0 HB THR A 32 -7.397 2.923 15.826 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.946 4.170 17.115 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.549 2.013 16.638 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.267 0.781 16.570 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.741 1.488 18.133 1.00 0.00 H new ATOM 474 N ASP A 33 -6.843 0.855 19.214 1.00 0.00 N ATOM 475 CA ASP A 33 -7.027 0.390 20.585 1.00 0.00 C ATOM 476 C ASP A 33 -6.308 -0.936 20.816 1.00 0.00 C ATOM 477 O ASP A 33 -5.705 -1.150 21.867 1.00 0.00 O ATOM 478 CB ASP A 33 -8.517 0.235 20.896 1.00 0.00 C ATOM 479 CG ASP A 33 -9.166 1.549 21.285 1.00 0.00 C ATOM 480 OD1 ASP A 33 -9.037 1.950 22.460 1.00 0.00 O ATOM 481 OD2 ASP A 33 -9.803 2.177 20.413 1.00 0.00 O ATOM 0 H ASP A 33 -7.137 0.189 18.499 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.596 1.135 21.254 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.027 -0.175 20.024 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.644 -0.483 21.706 1.00 0.00 H new ATOM 486 N GLY A 34 -6.377 -1.823 19.827 1.00 0.00 N ATOM 487 CA GLY A 34 -5.729 -3.117 19.944 1.00 0.00 C ATOM 488 C GLY A 34 -4.251 -3.003 20.263 1.00 0.00 C ATOM 489 O GLY A 34 -3.749 -1.913 20.534 1.00 0.00 O ATOM 0 H GLY A 34 -6.870 -1.669 18.947 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.222 -3.696 20.725 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.854 -3.667 19.012 1.00 0.00 H new ATOM 493 N ASP A 35 -3.552 -4.134 20.229 1.00 0.00 N ATOM 494 CA ASP A 35 -2.123 -4.158 20.517 1.00 0.00 C ATOM 495 C ASP A 35 -1.336 -4.688 19.322 1.00 0.00 C ATOM 496 O ASP A 35 -0.269 -5.281 19.483 1.00 0.00 O ATOM 497 CB ASP A 35 -1.844 -5.021 21.749 1.00 0.00 C ATOM 498 CG ASP A 35 -2.291 -6.458 21.561 1.00 0.00 C ATOM 499 OD1 ASP A 35 -3.476 -6.673 21.231 1.00 0.00 O ATOM 500 OD2 ASP A 35 -1.456 -7.368 21.746 1.00 0.00 O ATOM 0 H ASP A 35 -3.952 -5.045 20.005 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.801 -3.136 20.717 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.777 -5.001 21.969 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.355 -4.594 22.612 1.00 0.00 H new ATOM 505 N LYS A 36 -1.868 -4.468 18.124 1.00 0.00 N ATOM 506 CA LYS A 36 -1.214 -4.922 16.903 1.00 0.00 C ATOM 507 C LYS A 36 -0.632 -3.743 16.132 1.00 0.00 C ATOM 508 O LYS A 36 -1.165 -2.634 16.181 1.00 0.00 O ATOM 509 CB LYS A 36 -2.205 -5.685 16.021 1.00 0.00 C ATOM 510 CG LYS A 36 -2.711 -6.973 16.649 1.00 0.00 C ATOM 511 CD LYS A 36 -4.157 -7.247 16.269 1.00 0.00 C ATOM 512 CE LYS A 36 -4.828 -8.180 17.265 1.00 0.00 C ATOM 513 NZ LYS A 36 -6.258 -7.826 17.481 1.00 0.00 N ATOM 0 H LYS A 36 -2.750 -3.978 17.973 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.400 -5.591 17.182 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.055 -5.039 15.801 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.727 -5.918 15.069 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.085 -7.806 16.328 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.625 -6.909 17.734 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.706 -6.307 16.223 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.195 -7.688 15.273 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.759 -9.206 16.905 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.296 -8.139 18.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.679 -8.485 18.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.324 -6.856 17.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.771 -7.890 16.579 1.00 0.00 H new ATOM 527 N VAL A 37 0.464 -3.986 15.423 1.00 0.00 N ATOM 528 CA VAL A 37 1.113 -2.939 14.645 1.00 0.00 C ATOM 529 C VAL A 37 1.787 -3.512 13.401 1.00 0.00 C ATOM 530 O VAL A 37 2.306 -4.628 13.423 1.00 0.00 O ATOM 531 CB VAL A 37 2.155 -2.178 15.490 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.320 -3.085 15.860 1.00 0.00 C ATOM 533 CG2 VAL A 37 2.642 -0.943 14.749 1.00 0.00 C ATOM 0 H VAL A 37 0.921 -4.897 15.371 1.00 0.00 H new ATOM 0 HA VAL A 37 0.334 -2.242 14.335 1.00 0.00 H new ATOM 0 HB VAL A 37 1.676 -1.855 16.414 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.042 -2.526 16.456 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.952 -3.933 16.438 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.802 -3.447 14.952 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.377 -0.418 15.360 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.101 -1.242 13.806 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.798 -0.283 14.549 1.00 0.00 H new ATOM 543 N HIS A 38 1.774 -2.741 12.319 1.00 0.00 N ATOM 544 CA HIS A 38 2.383 -3.171 11.065 1.00 0.00 C ATOM 545 C HIS A 38 3.376 -2.132 10.555 1.00 0.00 C ATOM 546 O HIS A 38 3.105 -0.931 10.585 1.00 0.00 O ATOM 547 CB HIS A 38 1.302 -3.421 10.011 1.00 0.00 C ATOM 548 CG HIS A 38 1.843 -3.895 8.697 1.00 0.00 C ATOM 549 ND1 HIS A 38 2.117 -5.220 8.430 1.00 0.00 N ATOM 550 CD2 HIS A 38 2.160 -3.213 7.571 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.580 -5.332 7.198 1.00 0.00 C ATOM 552 NE2 HIS A 38 2.615 -4.129 6.655 1.00 0.00 N ATOM 0 H HIS A 38 1.348 -1.815 12.285 1.00 0.00 H new ATOM 0 HA HIS A 38 2.923 -4.099 11.252 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.598 -4.161 10.393 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.741 -2.500 9.852 1.00 0.00 H new ATOM 0 HD1 HIS A 38 1.983 -5.993 9.082 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.071 -2.147 7.421 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.879 -6.251 6.717 1.00 0.00 H new ATOM 561 N THR A 39 4.527 -2.603 10.086 1.00 0.00 N ATOM 562 CA THR A 39 5.562 -1.716 9.566 1.00 0.00 C ATOM 563 C THR A 39 6.004 -2.158 8.174 1.00 0.00 C ATOM 564 O THR A 39 6.631 -3.205 8.014 1.00 0.00 O ATOM 565 CB THR A 39 6.764 -1.692 10.511 1.00 0.00 C ATOM 566 OG1 THR A 39 6.372 -2.029 11.830 1.00 0.00 O ATOM 567 CG2 THR A 39 7.453 -0.346 10.568 1.00 0.00 C ATOM 0 H THR A 39 4.767 -3.594 10.055 1.00 0.00 H new ATOM 0 HA THR A 39 5.145 -0.711 9.495 1.00 0.00 H new ATOM 0 HB THR A 39 7.463 -2.424 10.107 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.155 -2.010 12.419 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.297 -0.398 11.256 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.812 -0.078 9.574 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.748 0.409 10.915 1.00 0.00 H new ATOM 575 N VAL A 40 5.671 -1.354 7.169 1.00 0.00 N ATOM 576 CA VAL A 40 6.032 -1.665 5.791 1.00 0.00 C ATOM 577 C VAL A 40 6.998 -0.627 5.226 1.00 0.00 C ATOM 578 O VAL A 40 6.803 0.576 5.400 1.00 0.00 O ATOM 579 CB VAL A 40 4.785 -1.741 4.888 1.00 0.00 C ATOM 580 CG1 VAL A 40 4.060 -0.403 4.857 1.00 0.00 C ATOM 581 CG2 VAL A 40 5.166 -2.182 3.482 1.00 0.00 C ATOM 0 H VAL A 40 5.152 -0.483 7.283 1.00 0.00 H new ATOM 0 HA VAL A 40 6.521 -2.639 5.804 1.00 0.00 H new ATOM 0 HB VAL A 40 4.106 -2.485 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.183 -0.479 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.748 -0.135 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.729 0.365 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.272 -2.229 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.868 -1.466 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.632 -3.167 3.523 1.00 0.00 H new ATOM 591 N VAL A 41 8.038 -1.101 4.548 1.00 0.00 N ATOM 592 CA VAL A 41 9.032 -0.215 3.956 1.00 0.00 C ATOM 593 C VAL A 41 8.480 0.474 2.712 1.00 0.00 C ATOM 594 O VAL A 41 7.837 -0.158 1.875 1.00 0.00 O ATOM 595 CB VAL A 41 10.316 -0.980 3.578 1.00 0.00 C ATOM 596 CG1 VAL A 41 11.404 -0.015 3.128 1.00 0.00 C ATOM 597 CG2 VAL A 41 10.795 -1.830 4.745 1.00 0.00 C ATOM 0 H VAL A 41 8.214 -2.094 4.395 1.00 0.00 H new ATOM 0 HA VAL A 41 9.275 0.535 4.708 1.00 0.00 H new ATOM 0 HB VAL A 41 10.087 -1.644 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.302 -0.575 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.058 0.544 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.633 0.679 3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.702 -2.362 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 41 11.005 -1.188 5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.021 -2.549 5.013 1.00 0.00 H new ATOM 607 N LEU A 42 8.732 1.774 2.599 1.00 0.00 N ATOM 608 CA LEU A 42 8.257 2.547 1.457 1.00 0.00 C ATOM 609 C LEU A 42 9.169 2.357 0.249 1.00 0.00 C ATOM 610 O LEU A 42 8.719 2.415 -0.896 1.00 0.00 O ATOM 611 CB LEU A 42 8.175 4.031 1.819 1.00 0.00 C ATOM 612 CG LEU A 42 6.932 4.437 2.613 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.905 5.942 2.826 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.670 3.974 1.899 1.00 0.00 C ATOM 0 H LEU A 42 9.262 2.314 3.283 1.00 0.00 H new ATOM 0 HA LEU A 42 7.262 2.186 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.060 4.298 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.207 4.616 0.900 1.00 0.00 H new ATOM 0 HG LEU A 42 6.972 3.953 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.014 6.213 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.793 6.247 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.888 6.446 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.795 4.271 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.623 4.430 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.687 2.889 1.798 1.00 0.00 H new ATOM 626 N SER A 43 10.453 2.136 0.511 1.00 0.00 N ATOM 627 CA SER A 43 11.431 1.942 -0.555 1.00 0.00 C ATOM 628 C SER A 43 11.040 0.774 -1.457 1.00 0.00 C ATOM 629 O SER A 43 11.358 0.763 -2.646 1.00 0.00 O ATOM 630 CB SER A 43 12.819 1.699 0.039 1.00 0.00 C ATOM 631 OG SER A 43 13.796 1.578 -0.980 1.00 0.00 O ATOM 0 H SER A 43 10.841 2.087 1.453 1.00 0.00 H new ATOM 0 HA SER A 43 11.452 2.848 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.082 2.522 0.704 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.806 0.792 0.644 1.00 0.00 H new ATOM 0 HG SER A 43 14.675 1.425 -0.574 1.00 0.00 H new ATOM 637 N THR A 44 10.353 -0.210 -0.884 1.00 0.00 N ATOM 638 CA THR A 44 9.925 -1.382 -1.640 1.00 0.00 C ATOM 639 C THR A 44 8.795 -1.034 -2.606 1.00 0.00 C ATOM 640 O THR A 44 8.596 -1.716 -3.611 1.00 0.00 O ATOM 641 CB THR A 44 9.477 -2.494 -0.689 1.00 0.00 C ATOM 642 OG1 THR A 44 9.250 -3.699 -1.399 1.00 0.00 O ATOM 643 CG2 THR A 44 8.210 -2.164 0.071 1.00 0.00 C ATOM 0 H THR A 44 10.081 -0.219 0.099 1.00 0.00 H new ATOM 0 HA THR A 44 10.776 -1.733 -2.224 1.00 0.00 H new ATOM 0 HB THR A 44 10.291 -2.603 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.966 -4.398 -0.774 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.951 -2.996 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.368 -1.267 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.397 -1.991 -0.634 1.00 0.00 H new ATOM 651 N ILE A 45 8.057 0.030 -2.297 1.00 0.00 N ATOM 652 CA ILE A 45 6.949 0.461 -3.143 1.00 0.00 C ATOM 653 C ILE A 45 7.417 0.722 -4.571 1.00 0.00 C ATOM 654 O ILE A 45 8.570 1.085 -4.801 1.00 0.00 O ATOM 655 CB ILE A 45 6.279 1.735 -2.590 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.875 1.534 -1.129 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.065 2.107 -3.431 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.954 0.353 -0.913 1.00 0.00 C ATOM 0 H ILE A 45 8.206 0.607 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 45 6.220 -0.349 -3.145 1.00 0.00 H new ATOM 0 HB ILE A 45 6.998 2.553 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.774 1.398 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.384 2.438 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.604 3.008 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.377 2.289 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.344 1.290 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.709 0.271 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.039 0.496 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.450 -0.560 -1.242 1.00 0.00 H new ATOM 670 N ASP A 46 6.513 0.533 -5.527 1.00 0.00 N ATOM 671 CA ASP A 46 6.833 0.745 -6.934 1.00 0.00 C ATOM 672 C ASP A 46 5.862 1.731 -7.576 1.00 0.00 C ATOM 673 O ASP A 46 6.271 2.630 -8.310 1.00 0.00 O ATOM 674 CB ASP A 46 6.801 -0.584 -7.691 1.00 0.00 C ATOM 675 CG ASP A 46 7.614 -0.541 -8.970 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.493 0.340 -9.085 1.00 0.00 O ATOM 677 OD2 ASP A 46 7.373 -1.387 -9.856 1.00 0.00 O ATOM 0 H ASP A 46 5.554 0.234 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 46 7.837 1.166 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.184 -1.375 -7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.768 -0.839 -7.929 1.00 0.00 H new ATOM 682 N LYS A 47 4.574 1.554 -7.299 1.00 0.00 N ATOM 683 CA LYS A 47 3.548 2.428 -7.856 1.00 0.00 C ATOM 684 C LYS A 47 2.609 2.939 -6.768 1.00 0.00 C ATOM 685 O LYS A 47 2.663 2.489 -5.623 1.00 0.00 O ATOM 686 CB LYS A 47 2.746 1.687 -8.928 1.00 0.00 C ATOM 687 CG LYS A 47 3.614 0.964 -9.945 1.00 0.00 C ATOM 688 CD LYS A 47 3.025 1.053 -11.344 1.00 0.00 C ATOM 689 CE LYS A 47 2.043 -0.077 -11.607 1.00 0.00 C ATOM 690 NZ LYS A 47 1.328 0.098 -12.901 1.00 0.00 N ATOM 0 H LYS A 47 4.217 0.815 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 47 4.047 3.285 -8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.089 0.964 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.107 2.400 -9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.615 1.395 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.717 -0.083 -9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.520 2.011 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.827 1.018 -12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.577 -1.027 -11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.317 -0.124 -10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.668 -0.693 -13.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.798 0.993 -12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.018 0.117 -13.679 1.00 0.00 H new ATOM 704 N LEU A 48 1.748 3.882 -7.137 1.00 0.00 N ATOM 705 CA LEU A 48 0.792 4.461 -6.200 1.00 0.00 C ATOM 706 C LEU A 48 -0.589 4.577 -6.840 1.00 0.00 C ATOM 707 O LEU A 48 -0.746 5.199 -7.890 1.00 0.00 O ATOM 708 CB LEU A 48 1.273 5.839 -5.736 1.00 0.00 C ATOM 709 CG LEU A 48 1.762 5.902 -4.288 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.114 5.221 -4.150 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.841 7.347 -3.817 1.00 0.00 C ATOM 0 H LEU A 48 1.693 4.262 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 48 0.718 3.801 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.082 6.164 -6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.458 6.552 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 48 1.046 5.372 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.445 5.276 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.027 4.176 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.841 5.722 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.190 7.375 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.536 7.899 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.853 7.804 -3.878 1.00 0.00 H new ATOM 723 N GLN A 49 -1.587 3.973 -6.201 1.00 0.00 N ATOM 724 CA GLN A 49 -2.953 4.010 -6.712 1.00 0.00 C ATOM 725 C GLN A 49 -3.964 3.987 -5.570 1.00 0.00 C ATOM 726 O GLN A 49 -3.645 3.577 -4.454 1.00 0.00 O ATOM 727 CB GLN A 49 -3.200 2.829 -7.653 1.00 0.00 C ATOM 728 CG GLN A 49 -4.041 3.185 -8.868 1.00 0.00 C ATOM 729 CD GLN A 49 -3.567 2.490 -10.129 1.00 0.00 C ATOM 730 OE1 GLN A 49 -4.076 1.432 -10.498 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.585 3.084 -10.798 1.00 0.00 N ATOM 0 H GLN A 49 -1.476 3.453 -5.330 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.081 4.940 -7.266 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.240 2.436 -7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.696 2.032 -7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.080 2.916 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.014 4.264 -9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.192 3.961 -10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.224 2.663 -11.654 1.00 0.00 H new ATOM 740 N ALA A 50 -5.183 4.432 -5.856 1.00 0.00 N ATOM 741 CA ALA A 50 -6.241 4.462 -4.853 1.00 0.00 C ATOM 742 C ALA A 50 -7.619 4.457 -5.505 1.00 0.00 C ATOM 743 O ALA A 50 -7.746 4.665 -6.712 1.00 0.00 O ATOM 744 CB ALA A 50 -6.083 5.683 -3.958 1.00 0.00 C ATOM 0 H ALA A 50 -5.463 4.777 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.155 3.563 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.879 5.694 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.117 5.643 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.140 6.588 -4.563 1.00 0.00 H new ATOM 750 N THR A 51 -8.648 4.220 -4.699 1.00 0.00 N ATOM 751 CA THR A 51 -10.018 4.188 -5.198 1.00 0.00 C ATOM 752 C THR A 51 -10.464 5.575 -5.655 1.00 0.00 C ATOM 753 O THR A 51 -9.954 6.588 -5.178 1.00 0.00 O ATOM 754 CB THR A 51 -10.965 3.667 -4.116 1.00 0.00 C ATOM 755 OG1 THR A 51 -11.184 4.654 -3.123 1.00 0.00 O ATOM 756 CG2 THR A 51 -10.454 2.423 -3.421 1.00 0.00 C ATOM 0 H THR A 51 -8.560 4.047 -3.698 1.00 0.00 H new ATOM 0 HA THR A 51 -10.050 3.515 -6.055 1.00 0.00 H new ATOM 0 HB THR A 51 -11.890 3.419 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.104 4.986 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.173 2.107 -2.666 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.322 1.626 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.498 2.640 -2.944 1.00 0.00 H new ATOM 764 N PRO A 52 -11.429 5.638 -6.590 1.00 0.00 N ATOM 765 CA PRO A 52 -11.942 6.909 -7.110 1.00 0.00 C ATOM 766 C PRO A 52 -12.747 7.677 -6.067 1.00 0.00 C ATOM 767 O PRO A 52 -13.253 7.096 -5.107 1.00 0.00 O ATOM 768 CB PRO A 52 -12.842 6.483 -8.272 1.00 0.00 C ATOM 769 CG PRO A 52 -13.255 5.090 -7.941 1.00 0.00 C ATOM 770 CD PRO A 52 -12.092 4.476 -7.212 1.00 0.00 C ATOM 0 HA PRO A 52 -11.137 7.583 -7.403 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.706 7.141 -8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.308 6.523 -9.221 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.151 5.086 -7.320 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.490 4.528 -8.845 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.422 3.754 -6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.424 3.948 -7.893 1.00 0.00 H new ATOM 778 N ALA A 53 -12.862 8.987 -6.263 1.00 0.00 N ATOM 779 CA ALA A 53 -13.605 9.835 -5.340 1.00 0.00 C ATOM 780 C ALA A 53 -15.099 9.534 -5.398 1.00 0.00 C ATOM 781 O ALA A 53 -15.811 9.680 -4.404 1.00 0.00 O ATOM 782 CB ALA A 53 -13.349 11.303 -5.649 1.00 0.00 C ATOM 0 H ALA A 53 -12.450 9.483 -7.053 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.257 9.621 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.910 11.925 -4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.285 11.516 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.668 11.521 -6.668 1.00 0.00 H new ATOM 788 N SER A 54 -15.568 9.113 -6.568 1.00 0.00 N ATOM 789 CA SER A 54 -16.978 8.791 -6.755 1.00 0.00 C ATOM 790 C SER A 54 -17.372 7.570 -5.930 1.00 0.00 C ATOM 791 O SER A 54 -18.509 7.458 -5.473 1.00 0.00 O ATOM 792 CB SER A 54 -17.272 8.537 -8.234 1.00 0.00 C ATOM 793 OG SER A 54 -16.369 9.247 -9.063 1.00 0.00 O ATOM 0 H SER A 54 -14.992 8.987 -7.401 1.00 0.00 H new ATOM 0 HA SER A 54 -17.567 9.642 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.201 7.470 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.294 8.839 -8.462 1.00 0.00 H new ATOM 0 HG SER A 54 -16.577 9.066 -10.003 1.00 0.00 H new ATOM 799 N SER A 55 -16.424 6.658 -5.742 1.00 0.00 N ATOM 800 CA SER A 55 -16.672 5.445 -4.972 1.00 0.00 C ATOM 801 C SER A 55 -16.963 5.778 -3.512 1.00 0.00 C ATOM 802 O SER A 55 -16.199 6.494 -2.864 1.00 0.00 O ATOM 803 CB SER A 55 -15.470 4.503 -5.062 1.00 0.00 C ATOM 804 OG SER A 55 -15.549 3.684 -6.216 1.00 0.00 O ATOM 0 H SER A 55 -15.477 6.736 -6.112 1.00 0.00 H new ATOM 0 HA SER A 55 -17.546 4.949 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.549 5.085 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.427 3.877 -4.170 1.00 0.00 H new ATOM 0 HG SER A 55 -14.769 3.092 -6.251 1.00 0.00 H new ATOM 810 N GLU A 56 -18.072 5.254 -3.001 1.00 0.00 N ATOM 811 CA GLU A 56 -18.464 5.495 -1.617 1.00 0.00 C ATOM 812 C GLU A 56 -17.399 4.984 -0.653 1.00 0.00 C ATOM 813 O GLU A 56 -17.112 5.616 0.363 1.00 0.00 O ATOM 814 CB GLU A 56 -19.804 4.821 -1.320 1.00 0.00 C ATOM 815 CG GLU A 56 -19.777 3.311 -1.492 1.00 0.00 C ATOM 816 CD GLU A 56 -21.084 2.654 -1.093 1.00 0.00 C ATOM 817 OE1 GLU A 56 -22.110 3.364 -1.034 1.00 0.00 O ATOM 818 OE2 GLU A 56 -21.081 1.431 -0.842 1.00 0.00 O ATOM 0 H GLU A 56 -18.715 4.660 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.568 6.571 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.101 5.057 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -20.566 5.240 -1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.557 3.072 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.968 2.895 -0.892 1.00 0.00 H new ATOM 825 N LYS A 57 -16.816 3.835 -0.979 1.00 0.00 N ATOM 826 CA LYS A 57 -15.781 3.238 -0.143 1.00 0.00 C ATOM 827 C LYS A 57 -14.400 3.750 -0.538 1.00 0.00 C ATOM 828 O LYS A 57 -13.898 3.439 -1.618 1.00 0.00 O ATOM 829 CB LYS A 57 -15.824 1.713 -0.254 1.00 0.00 C ATOM 830 CG LYS A 57 -15.826 1.207 -1.687 1.00 0.00 C ATOM 831 CD LYS A 57 -17.225 0.826 -2.144 1.00 0.00 C ATOM 832 CE LYS A 57 -17.436 -0.679 -2.097 1.00 0.00 C ATOM 833 NZ LYS A 57 -17.921 -1.130 -0.764 1.00 0.00 N ATOM 0 H LYS A 57 -17.043 3.299 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.973 3.526 0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.964 1.295 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.716 1.345 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.424 1.977 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.168 0.342 -1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.963 1.318 -1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.388 1.186 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.156 -0.969 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.499 -1.184 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.052 -2.162 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.222 -0.876 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.828 -0.667 -0.550 1.00 0.00 H new ATOM 847 N MET A 58 -13.791 4.536 0.343 1.00 0.00 N ATOM 848 CA MET A 58 -12.468 5.092 0.085 1.00 0.00 C ATOM 849 C MET A 58 -11.375 4.159 0.599 1.00 0.00 C ATOM 850 O MET A 58 -11.337 3.824 1.783 1.00 0.00 O ATOM 851 CB MET A 58 -12.332 6.466 0.743 1.00 0.00 C ATOM 852 CG MET A 58 -13.489 7.403 0.438 1.00 0.00 C ATOM 853 SD MET A 58 -14.791 7.326 1.682 1.00 0.00 S ATOM 854 CE MET A 58 -14.019 8.208 3.036 1.00 0.00 C ATOM 0 H MET A 58 -14.192 4.802 1.242 1.00 0.00 H new ATOM 0 HA MET A 58 -12.351 5.200 -0.993 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.255 6.337 1.823 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.403 6.929 0.410 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.116 8.425 0.371 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.908 7.152 -0.537 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.666 8.168 3.912 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.060 7.746 3.272 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.860 9.247 2.749 1.00 0.00 H new ATOM 864 N MET A 59 -10.489 3.743 -0.299 1.00 0.00 N ATOM 865 CA MET A 59 -9.394 2.849 0.062 1.00 0.00 C ATOM 866 C MET A 59 -8.124 3.208 -0.702 1.00 0.00 C ATOM 867 O MET A 59 -8.165 3.960 -1.676 1.00 0.00 O ATOM 868 CB MET A 59 -9.780 1.396 -0.221 1.00 0.00 C ATOM 869 CG MET A 59 -11.081 0.971 0.440 1.00 0.00 C ATOM 870 SD MET A 59 -12.477 0.987 -0.701 1.00 0.00 S ATOM 871 CE MET A 59 -12.715 -0.768 -0.969 1.00 0.00 C ATOM 0 H MET A 59 -10.507 4.011 -1.283 1.00 0.00 H new ATOM 0 HA MET A 59 -9.200 2.965 1.128 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.867 1.255 -1.298 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.978 0.743 0.122 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.964 -0.032 0.851 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.293 1.636 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 59 -13.547 -0.922 -1.656 1.00 0.00 H new ATOM 0 HE2 MET A 59 -11.808 -1.197 -1.396 1.00 0.00 H new ATOM 0 HE3 MET A 59 -12.934 -1.255 -0.019 1.00 0.00 H new ATOM 881 N LEU A 60 -6.996 2.667 -0.253 1.00 0.00 N ATOM 882 CA LEU A 60 -5.713 2.930 -0.894 1.00 0.00 C ATOM 883 C LEU A 60 -5.032 1.627 -1.302 1.00 0.00 C ATOM 884 O LEU A 60 -5.174 0.605 -0.631 1.00 0.00 O ATOM 885 CB LEU A 60 -4.803 3.725 0.046 1.00 0.00 C ATOM 886 CG LEU A 60 -4.829 5.240 -0.158 1.00 0.00 C ATOM 887 CD1 LEU A 60 -4.088 5.943 0.969 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.226 5.606 -1.505 1.00 0.00 C ATOM 0 H LEU A 60 -6.945 2.044 0.553 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.897 3.519 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.089 3.507 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.779 3.374 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.867 5.572 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.117 7.020 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.564 5.706 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.051 5.607 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.253 6.688 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.193 5.261 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.800 5.132 -2.301 1.00 0.00 H new ATOM 900 N ARG A 61 -4.293 1.671 -2.406 1.00 0.00 N ATOM 901 CA ARG A 61 -3.591 0.493 -2.902 1.00 0.00 C ATOM 902 C ARG A 61 -2.170 0.846 -3.330 1.00 0.00 C ATOM 903 O ARG A 61 -1.952 1.810 -4.063 1.00 0.00 O ATOM 904 CB ARG A 61 -4.351 -0.125 -4.077 1.00 0.00 C ATOM 905 CG ARG A 61 -3.695 -1.378 -4.635 1.00 0.00 C ATOM 906 CD ARG A 61 -3.723 -1.398 -6.156 1.00 0.00 C ATOM 907 NE ARG A 61 -4.467 -2.543 -6.675 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.395 -2.965 -7.935 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.615 -2.340 -8.808 1.00 0.00 N ATOM 910 NH2 ARG A 61 -5.105 -4.015 -8.324 1.00 0.00 N ATOM 0 H ARG A 61 -4.165 2.509 -2.973 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.538 -0.234 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.364 -0.368 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.437 0.615 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.663 -1.433 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.208 -2.259 -4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.175 -0.476 -6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.702 -1.426 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.078 -3.049 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.067 -1.532 -8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.564 -2.668 -9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.706 -4.499 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.050 -4.338 -9.290 1.00 0.00 H new ATOM 924 N LEU A 62 -1.206 0.057 -2.867 1.00 0.00 N ATOM 925 CA LEU A 62 0.195 0.283 -3.201 1.00 0.00 C ATOM 926 C LEU A 62 0.809 -0.959 -3.836 1.00 0.00 C ATOM 927 O LEU A 62 0.503 -2.085 -3.444 1.00 0.00 O ATOM 928 CB LEU A 62 0.982 0.670 -1.948 1.00 0.00 C ATOM 929 CG LEU A 62 0.435 1.879 -1.187 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.564 1.669 0.314 1.00 0.00 C ATOM 931 CD2 LEU A 62 1.158 3.147 -1.615 1.00 0.00 C ATOM 0 H LEU A 62 -1.370 -0.745 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 62 0.245 1.100 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.004 -0.185 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.013 0.877 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.623 1.988 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.170 2.539 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.001 0.783 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.614 1.534 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.757 3.998 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.223 3.047 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.013 3.305 -2.684 1.00 0.00 H new ATOM 943 N ILE A 63 1.678 -0.748 -4.819 1.00 0.00 N ATOM 944 CA ILE A 63 2.335 -1.854 -5.506 1.00 0.00 C ATOM 945 C ILE A 63 3.798 -1.966 -5.091 1.00 0.00 C ATOM 946 O ILE A 63 4.484 -0.958 -4.921 1.00 0.00 O ATOM 947 CB ILE A 63 2.260 -1.698 -7.038 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.897 -1.144 -7.459 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.525 -3.034 -7.716 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.265 -2.022 -7.048 1.00 0.00 C ATOM 0 H ILE A 63 1.943 0.177 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 63 1.804 -2.761 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 63 3.027 -0.989 -7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.766 -0.154 -7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.883 -1.020 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.469 -2.911 -8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.518 -3.390 -7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.778 -3.760 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.199 -1.568 -7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.158 -3.005 -7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.277 -2.126 -5.963 1.00 0.00 H new ATOM 962 N GLY A 64 4.269 -3.198 -4.928 1.00 0.00 N ATOM 963 CA GLY A 64 5.648 -3.418 -4.533 1.00 0.00 C ATOM 964 C GLY A 64 6.555 -3.688 -5.717 1.00 0.00 C ATOM 965 O GLY A 64 6.087 -4.044 -6.799 1.00 0.00 O ATOM 0 H GLY A 64 3.721 -4.048 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.012 -2.544 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.695 -4.261 -3.844 1.00 0.00 H new ATOM 969 N LYS A 65 7.858 -3.518 -5.513 1.00 0.00 N ATOM 970 CA LYS A 65 8.834 -3.745 -6.572 1.00 0.00 C ATOM 971 C LYS A 65 9.151 -5.231 -6.709 1.00 0.00 C ATOM 972 O LYS A 65 8.538 -6.071 -6.051 1.00 0.00 O ATOM 973 CB LYS A 65 10.117 -2.960 -6.288 1.00 0.00 C ATOM 974 CG LYS A 65 10.194 -1.634 -7.028 1.00 0.00 C ATOM 975 CD LYS A 65 11.013 -0.612 -6.256 1.00 0.00 C ATOM 976 CE LYS A 65 11.840 0.258 -7.188 1.00 0.00 C ATOM 977 NZ LYS A 65 12.291 1.512 -6.523 1.00 0.00 N ATOM 0 H LYS A 65 8.262 -3.224 -4.624 1.00 0.00 H new ATOM 0 HA LYS A 65 8.404 -3.396 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.190 -2.774 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.976 -3.571 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.638 -1.790 -8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.188 -1.248 -7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.348 0.017 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.672 -1.126 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.709 -0.303 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.251 0.507 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.852 2.077 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.462 2.060 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.875 1.275 -5.695 1.00 0.00 H new ATOM 991 N VAL A 66 10.114 -5.548 -7.569 1.00 0.00 N ATOM 992 CA VAL A 66 10.513 -6.932 -7.793 1.00 0.00 C ATOM 993 C VAL A 66 11.819 -7.251 -7.073 1.00 0.00 C ATOM 994 O VAL A 66 12.661 -6.375 -6.877 1.00 0.00 O ATOM 995 CB VAL A 66 10.681 -7.233 -9.294 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.908 -8.720 -9.520 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.470 -6.746 -10.075 1.00 0.00 C ATOM 0 H VAL A 66 10.632 -4.865 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 66 9.717 -7.559 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 66 11.558 -6.697 -9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.024 -8.912 -10.587 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.809 -9.035 -8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.053 -9.280 -9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.607 -6.967 -11.134 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.575 -7.251 -9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.359 -5.670 -9.941 1.00 0.00 H new ATOM 1007 N ASP A 67 11.980 -8.511 -6.682 1.00 0.00 N ATOM 1008 CA ASP A 67 13.184 -8.947 -5.983 1.00 0.00 C ATOM 1009 C ASP A 67 13.888 -10.059 -6.755 1.00 0.00 C ATOM 1010 O ASP A 67 13.492 -11.223 -6.685 1.00 0.00 O ATOM 1011 CB ASP A 67 12.835 -9.430 -4.574 1.00 0.00 C ATOM 1012 CG ASP A 67 12.910 -8.317 -3.547 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.997 -7.721 -3.396 1.00 0.00 O ATOM 1014 OD2 ASP A 67 11.882 -8.043 -2.894 1.00 0.00 O ATOM 0 H ASP A 67 11.292 -9.248 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 67 13.860 -8.095 -5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.830 -9.852 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.517 -10.231 -4.288 1.00 0.00 H new ATOM 1019 N GLU A 68 14.933 -9.693 -7.489 1.00 0.00 N ATOM 1020 CA GLU A 68 15.693 -10.659 -8.274 1.00 0.00 C ATOM 1021 C GLU A 68 16.710 -11.389 -7.402 1.00 0.00 C ATOM 1022 O GLU A 68 17.038 -12.549 -7.653 1.00 0.00 O ATOM 1023 CB GLU A 68 16.405 -9.959 -9.432 1.00 0.00 C ATOM 1024 CG GLU A 68 15.535 -9.787 -10.666 1.00 0.00 C ATOM 1025 CD GLU A 68 16.292 -10.046 -11.954 1.00 0.00 C ATOM 1026 OE1 GLU A 68 17.481 -9.672 -12.029 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.695 -10.622 -12.888 1.00 0.00 O ATOM 0 H GLU A 68 15.273 -8.734 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 68 14.994 -11.392 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.746 -8.979 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.293 -10.531 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.686 -10.468 -10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.132 -8.775 -10.683 1.00 0.00 H new ATOM 1034 N SER A 69 17.206 -10.702 -6.378 1.00 0.00 N ATOM 1035 CA SER A 69 18.187 -11.285 -5.470 1.00 0.00 C ATOM 1036 C SER A 69 17.628 -12.532 -4.791 1.00 0.00 C ATOM 1037 O SER A 69 18.352 -13.499 -4.553 1.00 0.00 O ATOM 1038 CB SER A 69 18.607 -10.261 -4.414 1.00 0.00 C ATOM 1039 OG SER A 69 17.489 -9.804 -3.673 1.00 0.00 O ATOM 0 H SER A 69 16.945 -9.741 -6.156 1.00 0.00 H new ATOM 0 HA SER A 69 19.060 -11.573 -6.056 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.336 -10.709 -3.739 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.097 -9.416 -4.897 1.00 0.00 H new ATOM 0 HG SER A 69 17.785 -9.152 -3.004 1.00 0.00 H new ATOM 1045 N LYS A 70 16.336 -12.503 -4.483 1.00 0.00 N ATOM 1046 CA LYS A 70 15.680 -13.631 -3.831 1.00 0.00 C ATOM 1047 C LYS A 70 15.576 -14.821 -4.779 1.00 0.00 C ATOM 1048 O LYS A 70 16.127 -15.889 -4.512 1.00 0.00 O ATOM 1049 CB LYS A 70 14.286 -13.227 -3.347 1.00 0.00 C ATOM 1050 CG LYS A 70 14.304 -12.339 -2.113 1.00 0.00 C ATOM 1051 CD LYS A 70 13.122 -12.628 -1.202 1.00 0.00 C ATOM 1052 CE LYS A 70 13.300 -11.982 0.162 1.00 0.00 C ATOM 1053 NZ LYS A 70 12.693 -12.800 1.248 1.00 0.00 N ATOM 0 H LYS A 70 15.722 -11.711 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 70 16.284 -13.924 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.768 -12.706 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.711 -14.127 -3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.233 -12.494 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.284 -11.292 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.206 -12.259 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.007 -13.705 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.363 -11.844 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.845 -10.991 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.836 -12.325 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.674 -12.911 1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.144 -13.737 1.271 1.00 0.00 H new ATOM 1067 N LYS A 71 14.867 -14.630 -5.887 1.00 0.00 N ATOM 1068 CA LYS A 71 14.691 -15.688 -6.874 1.00 0.00 C ATOM 1069 C LYS A 71 13.979 -16.891 -6.263 1.00 0.00 C ATOM 1070 O LYS A 71 13.446 -16.812 -5.156 1.00 0.00 O ATOM 1071 CB LYS A 71 16.047 -16.115 -7.441 1.00 0.00 C ATOM 1072 CG LYS A 71 16.016 -16.411 -8.932 1.00 0.00 C ATOM 1073 CD LYS A 71 16.486 -15.217 -9.747 1.00 0.00 C ATOM 1074 CE LYS A 71 17.246 -15.654 -10.989 1.00 0.00 C ATOM 1075 NZ LYS A 71 18.642 -16.062 -10.671 1.00 0.00 N ATOM 0 H LYS A 71 14.405 -13.752 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 71 14.073 -15.297 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.776 -15.327 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.391 -17.003 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.650 -17.271 -9.146 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.002 -16.680 -9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.627 -14.613 -10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.126 -14.584 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.723 -16.486 -11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.262 -14.837 -11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.126 -16.353 -11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.149 -15.261 -10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.627 -16.858 -10.002 1.00 0.00 H new ATOM 1089 N ARG A 72 13.973 -18.003 -6.991 1.00 0.00 N ATOM 1090 CA ARG A 72 13.325 -19.222 -6.521 1.00 0.00 C ATOM 1091 C ARG A 72 13.935 -19.690 -5.204 1.00 0.00 C ATOM 1092 O ARG A 72 14.974 -19.187 -4.776 1.00 0.00 O ATOM 1093 CB ARG A 72 13.445 -20.326 -7.573 1.00 0.00 C ATOM 1094 CG ARG A 72 12.810 -19.968 -8.906 1.00 0.00 C ATOM 1095 CD ARG A 72 13.586 -20.562 -10.070 1.00 0.00 C ATOM 1096 NE ARG A 72 13.486 -19.738 -11.273 1.00 0.00 N ATOM 1097 CZ ARG A 72 14.323 -19.826 -12.303 1.00 0.00 C ATOM 1098 NH1 ARG A 72 15.324 -20.697 -12.282 1.00 0.00 N ATOM 1099 NH2 ARG A 72 14.160 -19.039 -13.358 1.00 0.00 N ATOM 0 H ARG A 72 14.410 -18.085 -7.909 1.00 0.00 H new ATOM 0 HA ARG A 72 12.271 -19.002 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.499 -20.552 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.978 -21.234 -7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.782 -20.331 -8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.768 -18.884 -9.011 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.634 -20.669 -9.790 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.210 -21.562 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 72 12.730 -19.055 -11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.455 -21.304 -11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.962 -20.760 -13.075 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.393 -18.367 -13.379 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.802 -19.106 -14.148 1.00 0.00 H new ATOM 1113 N LYS A 73 13.282 -20.656 -4.566 1.00 0.00 N ATOM 1114 CA LYS A 73 13.760 -21.193 -3.297 1.00 0.00 C ATOM 1115 C LYS A 73 13.811 -20.105 -2.230 1.00 0.00 C ATOM 1116 O LYS A 73 14.868 -19.533 -1.962 1.00 0.00 O ATOM 1117 CB LYS A 73 15.146 -21.817 -3.472 1.00 0.00 C ATOM 1118 CG LYS A 73 15.175 -22.964 -4.469 1.00 0.00 C ATOM 1119 CD LYS A 73 14.744 -24.272 -3.826 1.00 0.00 C ATOM 1120 CE LYS A 73 13.912 -25.114 -4.780 1.00 0.00 C ATOM 1121 NZ LYS A 73 14.763 -25.919 -5.698 1.00 0.00 N ATOM 0 H LYS A 73 12.421 -21.083 -4.907 1.00 0.00 H new ATOM 0 HA LYS A 73 13.061 -21.963 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.844 -21.046 -3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.498 -22.178 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.517 -22.735 -5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.182 -23.071 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.625 -24.834 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.167 -24.063 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.266 -25.779 -4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.262 -24.464 -5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.157 -26.478 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.362 -25.284 -6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.366 -26.558 -5.142 1.00 0.00 H new ATOM 1135 N ASP A 74 12.662 -19.823 -1.624 1.00 0.00 N ATOM 1136 CA ASP A 74 12.576 -18.803 -0.585 1.00 0.00 C ATOM 1137 C ASP A 74 13.040 -19.355 0.759 1.00 0.00 C ATOM 1138 O ASP A 74 13.820 -18.718 1.467 1.00 0.00 O ATOM 1139 CB ASP A 74 11.142 -18.284 -0.469 1.00 0.00 C ATOM 1140 CG ASP A 74 10.139 -19.400 -0.252 1.00 0.00 C ATOM 1141 OD1 ASP A 74 10.029 -20.279 -1.132 1.00 0.00 O ATOM 1142 OD2 ASP A 74 9.462 -19.395 0.798 1.00 0.00 O ATOM 0 H ASP A 74 11.778 -20.286 -1.834 1.00 0.00 H new ATOM 0 HA ASP A 74 13.232 -17.979 -0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.080 -17.578 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.882 -17.737 -1.375 1.00 0.00 H new ATOM 1147 N ASN A 75 12.555 -20.543 1.104 1.00 0.00 N ATOM 1148 CA ASN A 75 12.920 -21.181 2.364 1.00 0.00 C ATOM 1149 C ASN A 75 12.729 -22.692 2.284 1.00 0.00 C ATOM 1150 O ASN A 75 13.697 -23.446 2.188 1.00 0.00 O ATOM 1151 CB ASN A 75 12.084 -20.609 3.510 1.00 0.00 C ATOM 1152 CG ASN A 75 12.602 -19.267 3.990 1.00 0.00 C ATOM 1153 OD1 ASN A 75 12.153 -18.216 3.532 1.00 0.00 O ATOM 1154 ND2 ASN A 75 13.552 -19.296 4.917 1.00 0.00 N ATOM 0 H ASN A 75 11.909 -21.083 0.529 1.00 0.00 H new ATOM 0 HA ASN A 75 13.973 -20.976 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.050 -20.500 3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.083 -21.313 4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.939 -18.424 5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.895 -20.190 5.268 1.00 0.00 H new ATOM 1161 N GLU A 76 11.474 -23.127 2.326 1.00 0.00 N ATOM 1162 CA GLU A 76 11.156 -24.549 2.258 1.00 0.00 C ATOM 1163 C GLU A 76 11.627 -25.150 0.938 1.00 0.00 C ATOM 1164 O GLU A 76 12.160 -26.259 0.904 1.00 0.00 O ATOM 1165 CB GLU A 76 9.650 -24.764 2.421 1.00 0.00 C ATOM 1166 CG GLU A 76 8.817 -24.071 1.355 1.00 0.00 C ATOM 1167 CD GLU A 76 7.427 -23.714 1.842 1.00 0.00 C ATOM 1168 OE1 GLU A 76 6.723 -24.616 2.343 1.00 0.00 O ATOM 1169 OE2 GLU A 76 7.041 -22.532 1.722 1.00 0.00 O ATOM 0 H GLU A 76 10.661 -22.516 2.407 1.00 0.00 H new ATOM 0 HA GLU A 76 11.679 -25.052 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.439 -25.833 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.344 -24.401 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.329 -23.164 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.737 -24.720 0.483 1.00 0.00 H new ATOM 1176 N GLY A 77 11.426 -24.410 -0.148 1.00 0.00 N ATOM 1177 CA GLY A 77 11.836 -24.887 -1.456 1.00 0.00 C ATOM 1178 C GLY A 77 10.661 -25.329 -2.307 1.00 0.00 C ATOM 1179 O GLY A 77 10.709 -26.382 -2.944 1.00 0.00 O ATOM 0 H GLY A 77 10.987 -23.489 -0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.379 -24.096 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.527 -25.721 -1.335 1.00 0.00 H new ATOM 1183 N ASN A 78 9.603 -24.524 -2.316 1.00 0.00 N ATOM 1184 CA ASN A 78 8.412 -24.836 -3.089 1.00 0.00 C ATOM 1185 C ASN A 78 8.398 -24.080 -4.408 1.00 0.00 C ATOM 1186 O ASN A 78 7.341 -23.815 -4.982 1.00 0.00 O ATOM 1187 CB ASN A 78 7.165 -24.495 -2.289 1.00 0.00 C ATOM 1188 CG ASN A 78 6.060 -25.517 -2.467 1.00 0.00 C ATOM 1189 OD1 ASN A 78 4.918 -25.168 -2.766 1.00 0.00 O ATOM 1190 ND2 ASN A 78 6.395 -26.789 -2.282 1.00 0.00 N ATOM 0 H ASN A 78 9.549 -23.649 -1.794 1.00 0.00 H new ATOM 0 HA ASN A 78 8.424 -25.904 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.424 -24.425 -1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.800 -23.514 -2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.693 -27.522 -2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.354 -27.033 -2.035 1.00 0.00 H new ATOM 1197 N GLU A 79 9.581 -23.744 -4.876 1.00 0.00 N ATOM 1198 CA GLU A 79 9.748 -23.019 -6.132 1.00 0.00 C ATOM 1199 C GLU A 79 8.789 -21.834 -6.220 1.00 0.00 C ATOM 1200 O GLU A 79 7.666 -21.965 -6.707 1.00 0.00 O ATOM 1201 CB GLU A 79 9.528 -23.963 -7.314 1.00 0.00 C ATOM 1202 CG GLU A 79 10.625 -23.887 -8.364 1.00 0.00 C ATOM 1203 CD GLU A 79 10.467 -24.934 -9.448 1.00 0.00 C ATOM 1204 OE1 GLU A 79 9.484 -24.852 -10.215 1.00 0.00 O ATOM 1205 OE2 GLU A 79 11.326 -25.836 -9.532 1.00 0.00 O ATOM 0 H GLU A 79 10.458 -23.962 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 79 10.766 -22.631 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.461 -24.986 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.572 -23.730 -7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.621 -22.896 -8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.594 -24.012 -7.881 1.00 0.00 H new ATOM 1212 N VAL A 80 9.240 -20.677 -5.744 1.00 0.00 N ATOM 1213 CA VAL A 80 8.423 -19.470 -5.769 1.00 0.00 C ATOM 1214 C VAL A 80 8.997 -18.439 -6.737 1.00 0.00 C ATOM 1215 O VAL A 80 10.212 -18.338 -6.903 1.00 0.00 O ATOM 1216 CB VAL A 80 8.310 -18.841 -4.365 1.00 0.00 C ATOM 1217 CG1 VAL A 80 9.681 -18.434 -3.847 1.00 0.00 C ATOM 1218 CG2 VAL A 80 7.364 -17.649 -4.386 1.00 0.00 C ATOM 0 H VAL A 80 10.167 -20.551 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 80 7.429 -19.764 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 80 7.899 -19.589 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.579 -17.993 -2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.323 -19.313 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.124 -17.705 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.298 -17.219 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.741 -16.898 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.375 -17.975 -4.707 1.00 0.00 H new ATOM 1228 N VAL A 81 8.113 -17.676 -7.372 1.00 0.00 N ATOM 1229 CA VAL A 81 8.532 -16.654 -8.323 1.00 0.00 C ATOM 1230 C VAL A 81 8.579 -15.277 -7.663 1.00 0.00 C ATOM 1231 O VAL A 81 7.670 -14.907 -6.919 1.00 0.00 O ATOM 1232 CB VAL A 81 7.585 -16.596 -9.537 1.00 0.00 C ATOM 1233 CG1 VAL A 81 8.134 -15.658 -10.601 1.00 0.00 C ATOM 1234 CG2 VAL A 81 7.363 -17.989 -10.107 1.00 0.00 C ATOM 0 H VAL A 81 7.103 -17.746 -7.245 1.00 0.00 H new ATOM 0 HA VAL A 81 9.531 -16.927 -8.663 1.00 0.00 H new ATOM 0 HB VAL A 81 6.623 -16.206 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.451 -15.631 -11.450 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.236 -14.656 -10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.110 -16.014 -10.932 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.692 -17.929 -10.964 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.318 -18.409 -10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.920 -18.628 -9.343 1.00 0.00 H new ATOM 1244 N PRO A 82 9.642 -14.494 -7.925 1.00 0.00 N ATOM 1245 CA PRO A 82 9.795 -13.155 -7.349 1.00 0.00 C ATOM 1246 C PRO A 82 8.838 -12.143 -7.972 1.00 0.00 C ATOM 1247 O PRO A 82 9.264 -11.160 -8.579 1.00 0.00 O ATOM 1248 CB PRO A 82 11.245 -12.794 -7.677 1.00 0.00 C ATOM 1249 CG PRO A 82 11.552 -13.567 -8.911 1.00 0.00 C ATOM 1250 CD PRO A 82 10.776 -14.851 -8.801 1.00 0.00 C ATOM 0 HA PRO A 82 9.568 -13.140 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.360 -11.723 -7.841 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.916 -13.065 -6.862 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.261 -13.011 -9.802 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.621 -13.763 -8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.436 -15.199 -9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 82 11.380 -15.650 -8.370 1.00 0.00 H new ATOM 1258 N LYS A 83 7.542 -12.390 -7.817 1.00 0.00 N ATOM 1259 CA LYS A 83 6.523 -11.501 -8.363 1.00 0.00 C ATOM 1260 C LYS A 83 6.259 -10.330 -7.420 1.00 0.00 C ATOM 1261 O LYS A 83 6.484 -10.431 -6.214 1.00 0.00 O ATOM 1262 CB LYS A 83 5.226 -12.271 -8.615 1.00 0.00 C ATOM 1263 CG LYS A 83 5.144 -12.889 -10.000 1.00 0.00 C ATOM 1264 CD LYS A 83 3.868 -13.697 -10.176 1.00 0.00 C ATOM 1265 CE LYS A 83 3.684 -14.141 -11.618 1.00 0.00 C ATOM 1266 NZ LYS A 83 3.021 -15.470 -11.710 1.00 0.00 N ATOM 0 H LYS A 83 7.172 -13.199 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 83 6.892 -11.105 -9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.131 -13.059 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.381 -11.597 -8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.184 -12.102 -10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.009 -13.532 -10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.897 -14.571 -9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.011 -13.098 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.089 -13.401 -12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.655 -14.185 -12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.914 -15.736 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.601 -16.182 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.083 -15.422 -11.263 1.00 0.00 H new ATOM 1280 N PRO A 84 5.777 -9.197 -7.960 1.00 0.00 N ATOM 1281 CA PRO A 84 5.482 -8.004 -7.160 1.00 0.00 C ATOM 1282 C PRO A 84 4.276 -8.202 -6.249 1.00 0.00 C ATOM 1283 O PRO A 84 3.310 -8.871 -6.617 1.00 0.00 O ATOM 1284 CB PRO A 84 5.188 -6.933 -8.212 1.00 0.00 C ATOM 1285 CG PRO A 84 4.723 -7.693 -9.406 1.00 0.00 C ATOM 1286 CD PRO A 84 5.480 -8.992 -9.390 1.00 0.00 C ATOM 0 HA PRO A 84 6.304 -7.748 -6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.425 -6.236 -7.865 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.078 -6.346 -8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.648 -7.867 -9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.920 -7.138 -10.323 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.885 -9.809 -9.798 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.391 -8.933 -9.985 1.00 0.00 H new ATOM 1294 N GLN A 85 4.338 -7.616 -5.057 1.00 0.00 N ATOM 1295 CA GLN A 85 3.250 -7.728 -4.093 1.00 0.00 C ATOM 1296 C GLN A 85 2.493 -6.409 -3.970 1.00 0.00 C ATOM 1297 O GLN A 85 3.098 -5.342 -3.864 1.00 0.00 O ATOM 1298 CB GLN A 85 3.793 -8.147 -2.726 1.00 0.00 C ATOM 1299 CG GLN A 85 4.962 -7.300 -2.250 1.00 0.00 C ATOM 1300 CD GLN A 85 5.412 -7.661 -0.848 1.00 0.00 C ATOM 1301 OE1 GLN A 85 5.596 -6.790 0.001 1.00 0.00 O ATOM 1302 NE2 GLN A 85 5.591 -8.953 -0.599 1.00 0.00 N ATOM 0 H GLN A 85 5.130 -7.059 -4.736 1.00 0.00 H new ATOM 0 HA GLN A 85 2.558 -8.491 -4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 85 2.990 -8.088 -1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.106 -9.190 -2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.798 -7.422 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.678 -6.248 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.427 -9.641 -1.333 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.893 -9.257 0.327 1.00 0.00 H new ATOM 1311 N ARG A 86 1.167 -6.491 -3.983 1.00 0.00 N ATOM 1312 CA ARG A 86 0.326 -5.304 -3.872 1.00 0.00 C ATOM 1313 C ARG A 86 -0.440 -5.303 -2.553 1.00 0.00 C ATOM 1314 O ARG A 86 -1.080 -6.292 -2.195 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.655 -5.238 -5.045 1.00 0.00 C ATOM 1316 CG ARG A 86 -0.016 -5.539 -6.391 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.088 -7.020 -6.723 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.327 -7.252 -8.145 1.00 0.00 N ATOM 1319 CZ ARG A 86 -0.755 -8.408 -8.646 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.991 -9.440 -7.845 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -0.949 -8.534 -9.952 1.00 0.00 N ATOM 0 H ARG A 86 0.651 -7.367 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 86 0.972 -4.426 -3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.465 -5.946 -4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.102 -4.244 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.519 -4.966 -7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.025 -5.218 -6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.844 -7.503 -6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.885 -7.483 -6.141 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.156 -6.482 -8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.844 -9.349 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.319 -10.324 -8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.770 -7.745 -10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.277 -9.420 -10.336 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.372 -4.187 -1.834 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.062 -4.059 -0.554 1.00 0.00 C ATOM 1337 C HIS A 87 -1.994 -2.852 -0.558 1.00 0.00 C ATOM 1338 O HIS A 87 -1.624 -1.772 -1.019 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.050 -3.935 0.588 1.00 0.00 C ATOM 1340 CG HIS A 87 1.101 -3.028 0.278 1.00 0.00 C ATOM 1341 ND1 HIS A 87 1.329 -1.844 0.948 1.00 0.00 N ATOM 1342 CD2 HIS A 87 2.094 -3.137 -0.636 1.00 0.00 C ATOM 1343 CE1 HIS A 87 2.411 -1.265 0.459 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.894 -2.029 -0.502 1.00 0.00 N ATOM 0 H HIS A 87 0.153 -3.359 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.660 -4.957 -0.401 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.562 -3.566 1.477 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.335 -4.926 0.830 1.00 0.00 H new ATOM 0 HD1 HIS A 87 0.752 -1.473 1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.231 -3.945 -1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.829 -0.326 0.790 1.00 0.00 H new ATOM 1353 N MET A 88 -3.204 -3.042 -0.042 1.00 0.00 N ATOM 1354 CA MET A 88 -4.189 -1.968 0.012 1.00 0.00 C ATOM 1355 C MET A 88 -4.683 -1.750 1.438 1.00 0.00 C ATOM 1356 O MET A 88 -4.756 -2.688 2.232 1.00 0.00 O ATOM 1357 CB MET A 88 -5.372 -2.286 -0.906 1.00 0.00 C ATOM 1358 CG MET A 88 -6.152 -3.521 -0.486 1.00 0.00 C ATOM 1359 SD MET A 88 -7.495 -3.141 0.656 1.00 0.00 S ATOM 1360 CE MET A 88 -8.885 -3.887 -0.192 1.00 0.00 C ATOM 0 H MET A 88 -3.526 -3.929 0.345 1.00 0.00 H new ATOM 0 HA MET A 88 -3.707 -1.052 -0.329 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.046 -1.430 -0.926 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.005 -2.426 -1.923 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.561 -4.006 -1.372 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.473 -4.233 -0.017 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.485 -3.108 -0.662 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.519 -4.574 -0.955 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.498 -4.434 0.525 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.022 -0.505 1.756 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.511 -0.160 3.085 1.00 0.00 C ATOM 1372 C PHE A 89 -6.827 0.606 2.997 1.00 0.00 C ATOM 1373 O PHE A 89 -7.102 1.274 2.001 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.471 0.677 3.833 1.00 0.00 C ATOM 1375 CG PHE A 89 -3.271 -0.111 4.274 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.419 -0.682 3.342 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -2.995 -0.282 5.622 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.314 -1.408 3.746 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -1.891 -1.006 6.031 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.050 -1.570 5.092 1.00 0.00 C ATOM 0 H PHE A 89 -4.967 0.283 1.110 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.685 -1.086 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.143 1.494 3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.940 1.128 4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.621 -0.558 2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.650 0.156 6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.658 -1.848 3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.686 -1.131 7.084 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.187 -2.137 5.410 1.00 0.00 H new ATOM 1390 N SER A 90 -7.637 0.503 4.046 1.00 0.00 N ATOM 1391 CA SER A 90 -8.925 1.187 4.085 1.00 0.00 C ATOM 1392 C SER A 90 -8.765 2.620 4.581 1.00 0.00 C ATOM 1393 O SER A 90 -7.789 2.948 5.256 1.00 0.00 O ATOM 1394 CB SER A 90 -9.902 0.426 4.984 1.00 0.00 C ATOM 1395 OG SER A 90 -11.159 0.266 4.350 1.00 0.00 O ATOM 0 H SER A 90 -7.425 -0.046 4.879 1.00 0.00 H new ATOM 0 HA SER A 90 -9.325 1.217 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.488 -0.552 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.031 0.963 5.924 1.00 0.00 H new ATOM 0 HG SER A 90 -11.765 -0.225 4.944 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.729 3.470 4.243 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.694 4.868 4.654 1.00 0.00 C ATOM 1403 C PHE A 91 -11.098 5.465 4.671 1.00 0.00 C ATOM 1404 O PHE A 91 -11.880 5.263 3.742 1.00 0.00 O ATOM 1405 CB PHE A 91 -8.794 5.675 3.717 1.00 0.00 C ATOM 1406 CG PHE A 91 -7.384 5.819 4.215 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.106 6.592 5.331 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -6.337 5.182 3.568 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -5.810 6.727 5.793 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.040 5.312 4.025 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.776 6.086 5.139 1.00 0.00 C ATOM 0 H PHE A 91 -10.544 3.215 3.685 1.00 0.00 H new ATOM 0 HA PHE A 91 -9.287 4.914 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.778 5.194 2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.225 6.667 3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.911 7.095 5.846 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.538 4.577 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.606 7.333 6.664 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.233 4.809 3.512 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.763 6.190 5.498 1.00 0.00 H new ATOM 1421 N ASN A 92 -11.410 6.201 5.732 1.00 0.00 N ATOM 1422 CA ASN A 92 -12.720 6.828 5.870 1.00 0.00 C ATOM 1423 C ASN A 92 -12.619 8.340 5.701 1.00 0.00 C ATOM 1424 O ASN A 92 -13.364 9.096 6.325 1.00 0.00 O ATOM 1425 CB ASN A 92 -13.328 6.494 7.233 1.00 0.00 C ATOM 1426 CG ASN A 92 -14.838 6.367 7.178 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.424 6.261 6.101 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.476 6.377 8.343 1.00 0.00 N ATOM 0 H ASN A 92 -10.774 6.378 6.509 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.368 6.435 5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.901 5.560 7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.057 7.271 7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.492 6.295 8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.950 6.467 9.212 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.692 8.775 4.853 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.494 10.198 4.602 1.00 0.00 C ATOM 1437 C ASN A 93 -10.842 10.425 3.242 1.00 0.00 C ATOM 1438 O ASN A 93 -9.861 9.767 2.896 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.630 10.816 5.704 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.404 11.039 6.988 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.082 12.054 7.150 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.305 10.090 7.912 1.00 0.00 N ATOM 0 H ASN A 93 -11.067 8.163 4.329 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.471 10.681 4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.780 10.164 5.904 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.227 11.767 5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -11.802 10.186 8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.732 9.265 7.736 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.394 11.360 2.476 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.866 11.673 1.153 1.00 0.00 C ATOM 1451 C ARG A 94 -9.687 12.636 1.252 1.00 0.00 C ATOM 1452 O ARG A 94 -8.769 12.594 0.433 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.962 12.280 0.275 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.868 11.869 -1.186 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.136 12.915 -2.012 1.00 0.00 C ATOM 1456 NE ARG A 94 -9.734 12.562 -2.224 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.331 11.575 -3.020 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.218 10.841 -3.680 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -8.037 11.321 -3.157 1.00 0.00 N ATOM 0 H ARG A 94 -12.206 11.914 2.748 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.518 10.745 0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.935 11.983 0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.910 13.367 0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.349 10.914 -1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.870 11.721 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.631 13.027 -2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.195 13.880 -1.509 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.023 13.104 -1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.215 11.032 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.903 10.086 -4.289 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.351 11.882 -2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.728 10.564 -3.767 1.00 0.00 H new ATOM 1473 N THR A 95 -9.720 13.502 2.259 1.00 0.00 N ATOM 1474 CA THR A 95 -8.654 14.476 2.465 1.00 0.00 C ATOM 1475 C THR A 95 -7.392 13.798 2.989 1.00 0.00 C ATOM 1476 O THR A 95 -6.285 14.090 2.537 1.00 0.00 O ATOM 1477 CB THR A 95 -9.107 15.561 3.443 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.301 16.175 2.991 1.00 0.00 O ATOM 1479 CG2 THR A 95 -8.078 16.652 3.645 1.00 0.00 C ATOM 0 H THR A 95 -10.473 13.549 2.945 1.00 0.00 H new ATOM 0 HA THR A 95 -8.426 14.936 1.504 1.00 0.00 H new ATOM 0 HB THR A 95 -9.261 15.049 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.576 16.865 3.630 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.463 17.389 4.350 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.160 16.217 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.869 17.137 2.691 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.567 12.892 3.946 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.442 12.173 4.532 1.00 0.00 C ATOM 1489 C VAL A 96 -5.735 11.315 3.487 1.00 0.00 C ATOM 1490 O VAL A 96 -4.510 11.199 3.491 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.895 11.273 5.698 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.693 10.654 6.395 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.744 12.062 6.684 1.00 0.00 C ATOM 0 H VAL A 96 -8.477 12.639 4.332 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.749 12.924 4.912 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.505 10.466 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.034 10.022 7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.130 10.051 5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.053 11.444 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.054 11.410 7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.161 12.891 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.626 12.451 6.175 1.00 0.00 H new ATOM 1503 N MET A 97 -6.516 10.716 2.594 1.00 0.00 N ATOM 1504 CA MET A 97 -5.964 9.869 1.543 1.00 0.00 C ATOM 1505 C MET A 97 -5.011 10.659 0.652 1.00 0.00 C ATOM 1506 O MET A 97 -4.006 10.129 0.177 1.00 0.00 O ATOM 1507 CB MET A 97 -7.090 9.269 0.699 1.00 0.00 C ATOM 1508 CG MET A 97 -7.581 7.924 1.209 1.00 0.00 C ATOM 1509 SD MET A 97 -8.765 7.148 0.091 1.00 0.00 S ATOM 1510 CE MET A 97 -7.871 7.228 -1.458 1.00 0.00 C ATOM 0 H MET A 97 -7.532 10.801 2.577 1.00 0.00 H new ATOM 0 HA MET A 97 -5.405 9.062 2.017 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.927 9.967 0.676 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.742 9.154 -0.328 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.729 7.259 1.348 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.044 8.057 2.187 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.307 6.524 -2.167 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.935 8.238 -1.863 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.825 6.971 -1.288 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.333 11.929 0.428 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.505 12.792 -0.406 1.00 0.00 C ATOM 1522 C ASP A 98 -3.158 13.060 0.257 1.00 0.00 C ATOM 1523 O ASP A 98 -2.145 13.236 -0.421 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.224 14.114 -0.679 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.877 14.692 -2.037 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.723 15.136 -2.215 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.758 14.700 -2.921 1.00 0.00 O ATOM 0 H ASP A 98 -6.161 12.383 0.813 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.328 12.280 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.301 13.958 -0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.962 14.834 0.097 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.153 13.090 1.586 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.930 13.337 2.340 1.00 0.00 C ATOM 1534 C ASN A 99 -1.017 12.116 2.312 1.00 0.00 C ATOM 1535 O ASN A 99 0.190 12.236 2.106 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.264 13.706 3.787 1.00 0.00 C ATOM 1537 CG ASN A 99 -2.450 15.198 3.975 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -2.948 15.891 3.087 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -2.049 15.703 5.137 1.00 0.00 N ATOM 0 H ASN A 99 -3.982 12.946 2.162 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.406 14.170 1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.174 13.188 4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.465 13.357 4.442 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.149 16.701 5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.642 15.092 5.845 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.602 10.940 2.519 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.840 9.698 2.516 1.00 0.00 C ATOM 1548 C ILE A 100 -0.187 9.463 1.157 1.00 0.00 C ATOM 1549 O ILE A 100 1.031 9.308 1.062 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.731 8.488 2.865 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -2.462 8.727 4.188 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -0.899 7.215 2.937 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.537 8.809 5.384 1.00 0.00 C ATOM 0 H ILE A 100 -2.601 10.822 2.691 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.067 9.797 3.278 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.474 8.368 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.033 9.653 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.179 7.922 4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.544 6.372 3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.423 7.037 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.134 7.324 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.124 8.980 6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.985 7.874 5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.836 9.632 5.246 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.004 9.438 0.110 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.506 9.222 -1.244 1.00 0.00 C ATOM 1567 C LYS A 101 0.503 10.297 -1.632 1.00 0.00 C ATOM 1568 O LYS A 101 1.590 9.994 -2.123 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.667 9.215 -2.241 1.00 0.00 C ATOM 1570 CG LYS A 101 -2.472 7.927 -2.228 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.971 7.569 -3.618 1.00 0.00 C ATOM 1572 CE LYS A 101 -4.270 8.288 -3.946 1.00 0.00 C ATOM 1573 NZ LYS A 101 -4.661 8.106 -5.371 1.00 0.00 N ATOM 0 H LYS A 101 -2.014 9.565 0.172 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.006 8.254 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.331 10.051 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.274 9.378 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.856 7.115 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.320 8.033 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.213 7.830 -4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.123 6.492 -3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.065 7.914 -3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.160 9.351 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.664 8.352 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.079 8.724 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.513 7.114 -5.648 1.00 0.00 H new ATOM 1587 N MET A 102 0.134 11.555 -1.410 1.00 0.00 N ATOM 1588 CA MET A 102 1.006 12.677 -1.737 1.00 0.00 C ATOM 1589 C MET A 102 2.340 12.562 -1.005 1.00 0.00 C ATOM 1590 O MET A 102 3.397 12.835 -1.573 1.00 0.00 O ATOM 1591 CB MET A 102 0.324 13.999 -1.377 1.00 0.00 C ATOM 1592 CG MET A 102 1.184 15.223 -1.647 1.00 0.00 C ATOM 1593 SD MET A 102 0.386 16.759 -1.140 1.00 0.00 S ATOM 1594 CE MET A 102 -1.271 16.504 -1.768 1.00 0.00 C ATOM 0 H MET A 102 -0.763 11.822 -1.005 1.00 0.00 H new ATOM 0 HA MET A 102 1.199 12.655 -2.809 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.603 14.085 -1.943 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.053 13.982 -0.321 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.132 15.119 -1.119 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.415 15.272 -2.711 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.778 17.465 -1.859 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.220 16.027 -2.747 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.826 15.865 -1.081 1.00 0.00 H new ATOM 1604 N THR A 103 2.283 12.157 0.259 1.00 0.00 N ATOM 1605 CA THR A 103 3.487 12.005 1.067 1.00 0.00 C ATOM 1606 C THR A 103 4.280 10.774 0.637 1.00 0.00 C ATOM 1607 O THR A 103 5.500 10.726 0.789 1.00 0.00 O ATOM 1608 CB THR A 103 3.121 11.899 2.549 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.385 13.036 2.966 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.326 11.775 3.456 1.00 0.00 C ATOM 0 H THR A 103 1.416 11.928 0.746 1.00 0.00 H new ATOM 0 HA THR A 103 4.110 12.886 0.916 1.00 0.00 H new ATOM 0 HB THR A 103 2.527 10.989 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.429 12.881 2.815 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.996 11.704 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.889 10.880 3.192 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.962 12.652 3.337 1.00 0.00 H new ATOM 1618 N LEU A 104 3.578 9.780 0.102 1.00 0.00 N ATOM 1619 CA LEU A 104 4.216 8.548 -0.348 1.00 0.00 C ATOM 1620 C LEU A 104 4.854 8.732 -1.722 1.00 0.00 C ATOM 1621 O LEU A 104 6.001 8.343 -1.942 1.00 0.00 O ATOM 1622 CB LEU A 104 3.194 7.409 -0.393 1.00 0.00 C ATOM 1623 CG LEU A 104 3.584 6.159 0.398 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.358 5.532 1.045 1.00 0.00 C ATOM 1625 CD2 LEU A 104 4.284 5.155 -0.505 1.00 0.00 C ATOM 0 H LEU A 104 2.567 9.804 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 104 5.002 8.295 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.242 7.780 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.033 7.127 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 104 4.276 6.453 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.655 4.644 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.897 6.250 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.642 5.252 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.555 4.272 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.615 4.867 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.185 5.606 -0.921 1.00 0.00 H new ATOM 1637 N GLN A 105 4.102 9.326 -2.644 1.00 0.00 N ATOM 1638 CA GLN A 105 4.592 9.558 -3.999 1.00 0.00 C ATOM 1639 C GLN A 105 5.892 10.359 -3.986 1.00 0.00 C ATOM 1640 O GLN A 105 6.722 10.228 -4.886 1.00 0.00 O ATOM 1641 CB GLN A 105 3.530 10.289 -4.827 1.00 0.00 C ATOM 1642 CG GLN A 105 3.354 11.751 -4.448 1.00 0.00 C ATOM 1643 CD GLN A 105 3.834 12.697 -5.532 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.529 12.292 -6.464 1.00 0.00 O ATOM 1645 NE2 GLN A 105 3.466 13.968 -5.414 1.00 0.00 N ATOM 0 H GLN A 105 3.151 9.655 -2.478 1.00 0.00 H new ATOM 0 HA GLN A 105 4.796 8.589 -4.455 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.799 10.227 -5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.575 9.776 -4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.301 11.945 -4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.901 11.952 -3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.889 14.261 -4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.760 14.651 -6.112 1.00 0.00 H new ATOM 1654 N GLN A 106 6.061 11.191 -2.963 1.00 0.00 N ATOM 1655 CA GLN A 106 7.258 12.015 -2.837 1.00 0.00 C ATOM 1656 C GLN A 106 8.449 11.186 -2.366 1.00 0.00 C ATOM 1657 O GLN A 106 9.559 11.330 -2.879 1.00 0.00 O ATOM 1658 CB GLN A 106 7.007 13.167 -1.862 1.00 0.00 C ATOM 1659 CG GLN A 106 6.393 14.394 -2.515 1.00 0.00 C ATOM 1660 CD GLN A 106 5.793 15.353 -1.506 1.00 0.00 C ATOM 1661 OE1 GLN A 106 4.667 15.823 -1.671 1.00 0.00 O ATOM 1662 NE2 GLN A 106 6.545 15.649 -0.452 1.00 0.00 N ATOM 0 H GLN A 106 5.384 11.312 -2.209 1.00 0.00 H new ATOM 0 HA GLN A 106 7.492 12.422 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.348 12.821 -1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.951 13.448 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.157 14.913 -3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.620 14.079 -3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.473 15.236 -0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.195 16.289 0.261 1.00 0.00 H new ATOM 1671 N ILE A 107 8.213 10.322 -1.385 1.00 0.00 N ATOM 1672 CA ILE A 107 9.270 9.474 -0.844 1.00 0.00 C ATOM 1673 C ILE A 107 9.828 8.539 -1.913 1.00 0.00 C ATOM 1674 O ILE A 107 11.007 8.187 -1.888 1.00 0.00 O ATOM 1675 CB ILE A 107 8.765 8.637 0.349 1.00 0.00 C ATOM 1676 CG1 ILE A 107 8.139 9.546 1.408 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.902 7.823 0.950 1.00 0.00 C ATOM 1678 CD1 ILE A 107 7.048 8.875 2.213 1.00 0.00 C ATOM 0 H ILE A 107 7.301 10.190 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 107 10.063 10.138 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 107 8.002 7.946 -0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.920 9.891 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.728 10.429 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.527 7.239 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.308 7.151 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.687 8.495 1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.650 9.579 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.248 8.554 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.458 8.008 2.730 1.00 0.00 H new ATOM 1690 N ILE A 108 8.976 8.140 -2.852 1.00 0.00 N ATOM 1691 CA ILE A 108 9.390 7.248 -3.927 1.00 0.00 C ATOM 1692 C ILE A 108 10.065 8.022 -5.055 1.00 0.00 C ATOM 1693 O ILE A 108 10.936 7.496 -5.748 1.00 0.00 O ATOM 1694 CB ILE A 108 8.194 6.463 -4.501 1.00 0.00 C ATOM 1695 CG1 ILE A 108 7.415 5.783 -3.374 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.670 5.436 -5.518 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.193 5.030 -3.853 1.00 0.00 C ATOM 0 H ILE A 108 7.996 8.420 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 108 10.102 6.544 -3.496 1.00 0.00 H new ATOM 0 HB ILE A 108 7.529 7.163 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 108 8.076 5.092 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.106 6.537 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.813 4.891 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.185 5.943 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.354 4.737 -5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.690 4.573 -3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.511 5.721 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.496 4.253 -4.554 1.00 0.00 H new ATOM 1709 N SER A 109 9.657 9.274 -5.235 1.00 0.00 N ATOM 1710 CA SER A 109 10.222 10.120 -6.280 1.00 0.00 C ATOM 1711 C SER A 109 11.549 10.727 -5.834 1.00 0.00 C ATOM 1712 O SER A 109 12.434 10.977 -6.652 1.00 0.00 O ATOM 1713 CB SER A 109 9.239 11.231 -6.652 1.00 0.00 C ATOM 1714 OG SER A 109 9.557 11.792 -7.914 1.00 0.00 O ATOM 0 H SER A 109 8.937 9.725 -4.671 1.00 0.00 H new ATOM 0 HA SER A 109 10.406 9.498 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.225 10.832 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.259 12.009 -5.889 1.00 0.00 H new ATOM 0 HG SER A 109 8.913 12.499 -8.129 1.00 0.00 H new ATOM 1720 N ARG A 110 11.680 10.962 -4.532 1.00 0.00 N ATOM 1721 CA ARG A 110 12.899 11.542 -3.980 1.00 0.00 C ATOM 1722 C ARG A 110 14.043 10.533 -4.006 1.00 0.00 C ATOM 1723 O ARG A 110 15.199 10.896 -4.221 1.00 0.00 O ATOM 1724 CB ARG A 110 12.657 12.021 -2.547 1.00 0.00 C ATOM 1725 CG ARG A 110 12.376 10.895 -1.566 1.00 0.00 C ATOM 1726 CD ARG A 110 12.218 11.416 -0.146 1.00 0.00 C ATOM 1727 NE ARG A 110 13.442 12.043 0.348 1.00 0.00 N ATOM 1728 CZ ARG A 110 13.751 13.325 0.160 1.00 0.00 C ATOM 1729 NH1 ARG A 110 12.931 14.125 -0.511 1.00 0.00 N ATOM 1730 NH2 ARG A 110 14.886 13.809 0.646 1.00 0.00 N ATOM 0 H ARG A 110 10.958 10.760 -3.841 1.00 0.00 H new ATOM 0 HA ARG A 110 13.178 12.395 -4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.530 12.578 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.816 12.714 -2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 110 11.469 10.370 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 110 13.190 10.171 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 110 11.402 12.138 -0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 110 11.941 10.593 0.513 1.00 0.00 H new ATOM 0 HE ARG A 110 14.100 11.463 0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.056 13.759 -0.887 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.176 15.105 -0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 110 15.520 13.200 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.125 14.790 0.503 1.00 0.00 H new ATOM 1744 N TYR A 111 13.714 9.264 -3.786 1.00 0.00 N ATOM 1745 CA TYR A 111 14.716 8.203 -3.784 1.00 0.00 C ATOM 1746 C TYR A 111 14.902 7.612 -5.181 1.00 0.00 C ATOM 1747 O TYR A 111 15.849 6.864 -5.424 1.00 0.00 O ATOM 1748 CB TYR A 111 14.319 7.099 -2.801 1.00 0.00 C ATOM 1749 CG TYR A 111 14.147 7.582 -1.376 1.00 0.00 C ATOM 1750 CD1 TYR A 111 14.952 8.592 -0.861 1.00 0.00 C ATOM 1751 CD2 TYR A 111 13.180 7.027 -0.547 1.00 0.00 C ATOM 1752 CE1 TYR A 111 14.797 9.034 0.440 1.00 0.00 C ATOM 1753 CE2 TYR A 111 13.019 7.465 0.754 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.830 8.468 1.242 1.00 0.00 C ATOM 1755 OH TYR A 111 13.672 8.905 2.537 1.00 0.00 O ATOM 0 H TYR A 111 12.762 8.945 -3.607 1.00 0.00 H new ATOM 0 HA TYR A 111 15.663 8.641 -3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 111 13.386 6.645 -3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 111 15.079 6.318 -2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 111 15.710 9.038 -1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.544 6.241 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 111 15.431 9.819 0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.262 7.024 1.385 1.00 0.00 H new ATOM 0 HH TYR A 111 14.344 8.480 3.110 1.00 0.00 H new ATOM 1765 N LYS A 112 13.996 7.948 -6.097 1.00 0.00 N ATOM 1766 CA LYS A 112 14.071 7.445 -7.464 1.00 0.00 C ATOM 1767 C LYS A 112 15.383 7.860 -8.125 1.00 0.00 C ATOM 1768 O LYS A 112 15.991 7.085 -8.862 1.00 0.00 O ATOM 1769 CB LYS A 112 12.884 7.957 -8.284 1.00 0.00 C ATOM 1770 CG LYS A 112 11.876 6.875 -8.634 1.00 0.00 C ATOM 1771 CD LYS A 112 11.273 7.099 -10.011 1.00 0.00 C ATOM 1772 CE LYS A 112 9.799 6.729 -10.040 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.275 6.640 -11.431 1.00 0.00 N ATOM 0 H LYS A 112 13.204 8.565 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 112 14.034 6.356 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.380 8.745 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.256 8.407 -9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.362 5.900 -8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.083 6.860 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.393 8.144 -10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.813 6.504 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.655 5.773 -9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.227 7.472 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.267 6.386 -11.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.389 7.559 -11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.803 5.913 -11.955 1.00 0.00 H new ATOM 1787 N ASP A 113 15.812 9.089 -7.855 1.00 0.00 N ATOM 1788 CA ASP A 113 17.051 9.607 -8.423 1.00 0.00 C ATOM 1789 C ASP A 113 18.261 9.095 -7.648 1.00 0.00 C ATOM 1790 O ASP A 113 19.289 8.756 -8.235 1.00 0.00 O ATOM 1791 CB ASP A 113 17.038 11.137 -8.418 1.00 0.00 C ATOM 1792 CG ASP A 113 17.968 11.726 -9.460 1.00 0.00 C ATOM 1793 OD1 ASP A 113 17.997 11.203 -10.594 1.00 0.00 O ATOM 1794 OD2 ASP A 113 18.668 12.711 -9.142 1.00 0.00 O ATOM 0 H ASP A 113 15.320 9.744 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 113 17.125 9.254 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 113 16.023 11.490 -8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 113 17.328 11.497 -7.431 1.00 0.00 H new ATOM 1799 N ALA A 114 18.131 9.040 -6.327 1.00 0.00 N ATOM 1800 CA ALA A 114 19.213 8.569 -5.471 1.00 0.00 C ATOM 1801 C ALA A 114 19.472 7.081 -5.684 1.00 0.00 C ATOM 1802 O ALA A 114 20.610 6.664 -5.899 1.00 0.00 O ATOM 1803 CB ALA A 114 18.889 8.846 -4.011 1.00 0.00 C ATOM 0 H ALA A 114 17.287 9.316 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 114 20.119 9.112 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 114 19.705 8.489 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 114 18.760 9.918 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 114 17.969 8.329 -3.738 1.00 0.00 H new ATOM 1809 N ASP A 115 18.409 6.286 -5.623 1.00 0.00 N ATOM 1810 CA ASP A 115 18.522 4.844 -5.809 1.00 0.00 C ATOM 1811 C ASP A 115 18.012 4.431 -7.186 1.00 0.00 C ATOM 1812 O ASP A 115 16.780 4.297 -7.344 1.00 0.00 O ATOM 1813 CB ASP A 115 17.742 4.105 -4.721 1.00 0.00 C ATOM 1814 CG ASP A 115 18.548 3.929 -3.449 1.00 0.00 C ATOM 1815 OD1 ASP A 115 19.524 4.684 -3.256 1.00 0.00 O ATOM 1816 OD2 ASP A 115 18.204 3.036 -2.647 1.00 0.00 O ATOM 1817 OXT ASP A 115 18.848 4.247 -8.096 1.00 0.00 O ATOM 0 H ASP A 115 17.460 6.616 -5.446 1.00 0.00 H new ATOM 0 HA ASP A 115 19.576 4.576 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 115 16.828 4.655 -4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 115 17.441 3.127 -5.095 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N ASP B 453 -13.982 -13.622 -4.514 1.00 0.00 N ATOM 1824 CA ASP B 453 -14.107 -12.183 -4.307 1.00 0.00 C ATOM 1825 C ASP B 453 -13.150 -11.704 -3.220 1.00 0.00 C ATOM 1826 O ASP B 453 -13.444 -11.809 -2.030 1.00 0.00 O ATOM 1827 CB ASP B 453 -15.546 -11.825 -3.929 1.00 0.00 C ATOM 1828 CG ASP B 453 -15.932 -10.430 -4.380 1.00 0.00 C ATOM 1829 OD1 ASP B 453 -16.074 -10.219 -5.603 1.00 0.00 O ATOM 1830 OD2 ASP B 453 -16.093 -9.549 -3.510 1.00 0.00 O ATOM 0 HA ASP B 453 -13.848 -11.683 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -16.227 -12.550 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -15.664 -11.900 -2.848 1.00 0.00 H new ATOM 1835 N LEU B 454 -12.004 -11.177 -3.639 1.00 0.00 N ATOM 1836 CA LEU B 454 -11.004 -10.681 -2.701 1.00 0.00 C ATOM 1837 C LEU B 454 -9.831 -10.045 -3.440 1.00 0.00 C ATOM 1838 O LEU B 454 -9.316 -9.005 -3.030 1.00 0.00 O ATOM 1839 CB LEU B 454 -10.502 -11.818 -1.808 1.00 0.00 C ATOM 1840 CG LEU B 454 -9.560 -11.390 -0.682 1.00 0.00 C ATOM 1841 CD1 LEU B 454 -10.347 -10.797 0.476 1.00 0.00 C ATOM 1842 CD2 LEU B 454 -8.723 -12.570 -0.212 1.00 0.00 C ATOM 0 H LEU B 454 -11.745 -11.083 -4.621 1.00 0.00 H new ATOM 0 HA LEU B 454 -11.474 -9.919 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU B 454 -11.363 -12.322 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU B 454 -9.989 -12.550 -2.432 1.00 0.00 H new ATOM 0 HG LEU B 454 -8.888 -10.623 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU B 454 -9.660 -10.498 1.268 1.00 0.00 H new ATOM 0 HD12 LEU B 454 -10.903 -9.926 0.130 1.00 0.00 H new ATOM 0 HD13 LEU B 454 -11.043 -11.542 0.862 1.00 0.00 H new ATOM 0 HD21 LEU B 454 -8.058 -12.248 0.589 1.00 0.00 H new ATOM 0 HD22 LEU B 454 -9.380 -13.358 0.156 1.00 0.00 H new ATOM 0 HD23 LEU B 454 -8.131 -12.950 -1.044 1.00 0.00 H new ATOM 1854 N ASP B 455 -9.413 -10.678 -4.531 1.00 0.00 N ATOM 1855 CA ASP B 455 -8.300 -10.174 -5.327 1.00 0.00 C ATOM 1856 C ASP B 455 -8.803 -9.338 -6.500 1.00 0.00 C ATOM 1857 O ASP B 455 -8.489 -8.153 -6.610 1.00 0.00 O ATOM 1858 CB ASP B 455 -7.446 -11.334 -5.842 1.00 0.00 C ATOM 1859 CG ASP B 455 -6.008 -10.926 -6.096 1.00 0.00 C ATOM 1860 OD1 ASP B 455 -5.373 -10.382 -5.168 1.00 0.00 O ATOM 1861 OD2 ASP B 455 -5.518 -11.150 -7.222 1.00 0.00 O ATOM 0 H ASP B 455 -9.828 -11.540 -4.884 1.00 0.00 H new ATOM 0 HA ASP B 455 -7.688 -9.538 -4.687 1.00 0.00 H new ATOM 0 HB2 ASP B 455 -7.467 -12.147 -5.116 1.00 0.00 H new ATOM 0 HB3 ASP B 455 -7.880 -11.719 -6.765 1.00 0.00 H new ATOM 1866 N GLU B 456 -9.583 -9.965 -7.374 1.00 0.00 N ATOM 1867 CA GLU B 456 -10.130 -9.279 -8.540 1.00 0.00 C ATOM 1868 C GLU B 456 -11.264 -8.341 -8.139 1.00 0.00 C ATOM 1869 O GLU B 456 -11.486 -7.312 -8.778 1.00 0.00 O ATOM 1870 CB GLU B 456 -10.632 -10.296 -9.566 1.00 0.00 C ATOM 1871 CG GLU B 456 -9.559 -11.262 -10.041 1.00 0.00 C ATOM 1872 CD GLU B 456 -8.755 -10.714 -11.204 1.00 0.00 C ATOM 1873 OE1 GLU B 456 -9.251 -9.793 -11.886 1.00 0.00 O ATOM 1874 OE2 GLU B 456 -7.631 -11.207 -11.433 1.00 0.00 O ATOM 0 H GLU B 456 -9.851 -10.946 -7.298 1.00 0.00 H new ATOM 0 HA GLU B 456 -9.333 -8.684 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU B 456 -11.453 -10.864 -9.130 1.00 0.00 H new ATOM 0 HB3 GLU B 456 -11.035 -9.762 -10.427 1.00 0.00 H new ATOM 0 HG2 GLU B 456 -8.886 -11.488 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU B 456 -10.026 -12.201 -10.337 1.00 0.00 H new ATOM 1881 N SER B 457 -11.978 -8.703 -7.079 1.00 0.00 N ATOM 1882 CA SER B 457 -13.090 -7.893 -6.593 1.00 0.00 C ATOM 1883 C SER B 457 -12.623 -6.487 -6.230 1.00 0.00 C ATOM 1884 O SER B 457 -13.289 -5.500 -6.544 1.00 0.00 O ATOM 1885 CB SER B 457 -13.739 -8.557 -5.378 1.00 0.00 C ATOM 1886 OG SER B 457 -14.981 -7.948 -5.066 1.00 0.00 O ATOM 0 H SER B 457 -11.807 -9.552 -6.540 1.00 0.00 H new ATOM 0 HA SER B 457 -13.826 -7.816 -7.393 1.00 0.00 H new ATOM 0 HB2 SER B 457 -13.891 -9.618 -5.577 1.00 0.00 H new ATOM 0 HB3 SER B 457 -13.070 -8.486 -4.520 1.00 0.00 H new ATOM 0 HG SER B 457 -15.236 -8.176 -4.148 1.00 0.00 H new ATOM 1892 N TRP B 458 -11.474 -6.404 -5.567 1.00 0.00 N ATOM 1893 CA TRP B 458 -10.918 -5.118 -5.160 1.00 0.00 C ATOM 1894 C TRP B 458 -10.001 -4.550 -6.241 1.00 0.00 C ATOM 1895 O TRP B 458 -9.782 -3.340 -6.307 1.00 0.00 O ATOM 1896 CB TRP B 458 -10.146 -5.264 -3.848 1.00 0.00 C ATOM 1897 CG TRP B 458 -11.022 -5.564 -2.670 1.00 0.00 C ATOM 1898 CD1 TRP B 458 -10.857 -6.570 -1.762 1.00 0.00 C ATOM 1899 CD2 TRP B 458 -12.201 -4.853 -2.272 1.00 0.00 C ATOM 1900 NE1 TRP B 458 -11.860 -6.529 -0.824 1.00 0.00 N ATOM 1901 CE2 TRP B 458 -12.697 -5.484 -1.116 1.00 0.00 C ATOM 1902 CE3 TRP B 458 -12.884 -3.745 -2.781 1.00 0.00 C ATOM 1903 CZ2 TRP B 458 -13.845 -5.043 -0.461 1.00 0.00 C ATOM 1904 CZ3 TRP B 458 -14.023 -3.308 -2.130 1.00 0.00 C ATOM 1905 CH2 TRP B 458 -14.493 -3.956 -0.981 1.00 0.00 C ATOM 0 H TRP B 458 -10.910 -7.211 -5.300 1.00 0.00 H new ATOM 0 HA TRP B 458 -11.747 -4.426 -5.012 1.00 0.00 H new ATOM 0 HB2 TRP B 458 -9.410 -6.060 -3.955 1.00 0.00 H new ATOM 0 HB3 TRP B 458 -9.594 -4.344 -3.656 1.00 0.00 H new ATOM 0 HD1 TRP B 458 -10.055 -7.293 -1.779 1.00 0.00 H new ATOM 0 HE1 TRP B 458 -11.965 -7.171 -0.039 1.00 0.00 H new ATOM 0 HE3 TRP B 458 -12.529 -3.239 -3.667 1.00 0.00 H new ATOM 0 HZ2 TRP B 458 -14.210 -5.541 0.425 1.00 0.00 H new ATOM 0 HZ3 TRP B 458 -14.559 -2.453 -2.514 1.00 0.00 H new ATOM 0 HH2 TRP B 458 -15.386 -3.590 -0.495 1.00 0.00 H new ATOM 1916 N ASP B 459 -9.466 -5.428 -7.085 1.00 0.00 N ATOM 1917 CA ASP B 459 -8.571 -5.010 -8.159 1.00 0.00 C ATOM 1918 C ASP B 459 -9.232 -3.959 -9.047 1.00 0.00 C ATOM 1919 O ASP B 459 -8.563 -3.071 -9.577 1.00 0.00 O ATOM 1920 CB ASP B 459 -8.156 -6.217 -9.003 1.00 0.00 C ATOM 1921 CG ASP B 459 -7.149 -5.854 -10.076 1.00 0.00 C ATOM 1922 OD1 ASP B 459 -7.573 -5.387 -11.154 1.00 0.00 O ATOM 1923 OD2 ASP B 459 -5.936 -6.037 -9.839 1.00 0.00 O ATOM 0 H ASP B 459 -9.637 -6.433 -7.046 1.00 0.00 H new ATOM 0 HA ASP B 459 -7.684 -4.568 -7.705 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -7.731 -6.982 -8.353 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -9.040 -6.651 -9.470 1.00 0.00 H new ATOM 1928 N TYR B 460 -10.547 -4.066 -9.206 1.00 0.00 N ATOM 1929 CA TYR B 460 -11.296 -3.124 -10.031 1.00 0.00 C ATOM 1930 C TYR B 460 -11.311 -1.736 -9.400 1.00 0.00 C ATOM 1931 O TYR B 460 -10.908 -0.755 -10.024 1.00 0.00 O ATOM 1932 CB TYR B 460 -12.729 -3.621 -10.234 1.00 0.00 C ATOM 1933 CG TYR B 460 -13.337 -3.196 -11.551 1.00 0.00 C ATOM 1934 CD1 TYR B 460 -13.896 -1.933 -11.705 1.00 0.00 C ATOM 1935 CD2 TYR B 460 -13.352 -4.058 -12.641 1.00 0.00 C ATOM 1936 CE1 TYR B 460 -14.453 -1.542 -12.908 1.00 0.00 C ATOM 1937 CE2 TYR B 460 -13.907 -3.673 -13.847 1.00 0.00 C ATOM 1938 CZ TYR B 460 -14.456 -2.415 -13.975 1.00 0.00 C ATOM 1939 OH TYR B 460 -15.010 -2.029 -15.174 1.00 0.00 O ATOM 0 H TYR B 460 -11.116 -4.795 -8.775 1.00 0.00 H new ATOM 0 HA TYR B 460 -10.801 -3.055 -11.000 1.00 0.00 H new ATOM 0 HB2 TYR B 460 -12.739 -4.709 -10.173 1.00 0.00 H new ATOM 0 HB3 TYR B 460 -13.352 -3.251 -9.420 1.00 0.00 H new ATOM 0 HD1 TYR B 460 -13.895 -1.246 -10.872 1.00 0.00 H new ATOM 0 HD2 TYR B 460 -12.923 -5.044 -12.544 1.00 0.00 H new ATOM 0 HE1 TYR B 460 -14.884 -0.557 -13.012 1.00 0.00 H new ATOM 0 HE2 TYR B 460 -13.911 -4.354 -14.685 1.00 0.00 H new ATOM 0 HH TYR B 460 -14.930 -2.760 -15.822 1.00 0.00 H new ATOM 1949 N ILE B 461 -11.782 -1.661 -8.159 1.00 0.00 N ATOM 1950 CA ILE B 461 -11.853 -0.393 -7.442 1.00 0.00 C ATOM 1951 C ILE B 461 -10.475 0.256 -7.328 1.00 0.00 C ATOM 1952 O ILE B 461 -10.359 1.479 -7.261 1.00 0.00 O ATOM 1953 CB ILE B 461 -12.444 -0.581 -6.030 1.00 0.00 C ATOM 1954 CG1 ILE B 461 -12.598 0.770 -5.328 1.00 0.00 C ATOM 1955 CG2 ILE B 461 -11.568 -1.516 -5.208 1.00 0.00 C ATOM 1956 CD1 ILE B 461 -13.146 0.663 -3.921 1.00 0.00 C ATOM 0 H ILE B 461 -12.120 -2.464 -7.629 1.00 0.00 H new ATOM 0 HA ILE B 461 -12.508 0.261 -8.018 1.00 0.00 H new ATOM 0 HB ILE B 461 -13.432 -1.031 -6.126 1.00 0.00 H new ATOM 0 HG12 ILE B 461 -11.628 1.265 -5.294 1.00 0.00 H new ATOM 0 HG13 ILE B 461 -13.259 1.404 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE B 461 -11.999 -1.638 -4.214 1.00 0.00 H new ATOM 0 HG22 ILE B 461 -11.510 -2.487 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE B 461 -10.567 -1.093 -5.120 1.00 0.00 H new ATOM 0 HD11 ILE B 461 -13.228 1.659 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE B 461 -14.131 0.197 -3.949 1.00 0.00 H new ATOM 0 HD13 ILE B 461 -12.474 0.056 -3.314 1.00 0.00 H new ATOM 1968 N PHE B 462 -9.435 -0.572 -7.303 1.00 0.00 N ATOM 1969 CA PHE B 462 -8.068 -0.077 -7.193 1.00 0.00 C ATOM 1970 C PHE B 462 -7.474 0.204 -8.570 1.00 0.00 C ATOM 1971 O PHE B 462 -6.636 1.092 -8.726 1.00 0.00 O ATOM 1972 CB PHE B 462 -7.199 -1.089 -6.445 1.00 0.00 C ATOM 1973 CG PHE B 462 -7.546 -1.212 -4.990 1.00 0.00 C ATOM 1974 CD1 PHE B 462 -7.766 -0.082 -4.219 1.00 0.00 C ATOM 1975 CD2 PHE B 462 -7.656 -2.458 -4.393 1.00 0.00 C ATOM 1976 CE1 PHE B 462 -8.088 -0.192 -2.880 1.00 0.00 C ATOM 1977 CE2 PHE B 462 -7.977 -2.574 -3.054 1.00 0.00 C ATOM 1978 CZ PHE B 462 -8.193 -1.439 -2.297 1.00 0.00 C ATOM 0 H PHE B 462 -9.513 -1.588 -7.357 1.00 0.00 H new ATOM 0 HA PHE B 462 -8.091 0.858 -6.633 1.00 0.00 H new ATOM 0 HB2 PHE B 462 -7.301 -2.065 -6.919 1.00 0.00 H new ATOM 0 HB3 PHE B 462 -6.153 -0.797 -6.538 1.00 0.00 H new ATOM 0 HD1 PHE B 462 -7.685 0.896 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE B 462 -7.489 -3.348 -4.981 1.00 0.00 H new ATOM 0 HE1 PHE B 462 -8.257 0.697 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE B 462 -8.059 -3.551 -2.600 1.00 0.00 H new ATOM 0 HZ PHE B 462 -8.444 -1.527 -1.250 1.00 0.00 H new ATOM 1988 N GLU B 463 -7.915 -0.556 -9.567 1.00 0.00 N ATOM 1989 CA GLU B 463 -7.426 -0.386 -10.931 1.00 0.00 C ATOM 1990 C GLU B 463 -8.042 0.850 -11.578 1.00 0.00 C ATOM 1991 O GLU B 463 -7.415 1.504 -12.412 1.00 0.00 O ATOM 1992 CB GLU B 463 -7.744 -1.627 -11.768 1.00 0.00 C ATOM 1993 CG GLU B 463 -7.261 -1.531 -13.206 1.00 0.00 C ATOM 1994 CD GLU B 463 -8.231 -0.781 -14.098 1.00 0.00 C ATOM 1995 OE1 GLU B 463 -9.391 -1.229 -14.222 1.00 0.00 O ATOM 1996 OE2 GLU B 463 -7.832 0.255 -14.670 1.00 0.00 O ATOM 0 H GLU B 463 -8.609 -1.295 -9.457 1.00 0.00 H new ATOM 0 HA GLU B 463 -6.345 -0.252 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU B 463 -7.288 -2.499 -11.298 1.00 0.00 H new ATOM 0 HB3 GLU B 463 -8.822 -1.790 -11.766 1.00 0.00 H new ATOM 0 HG2 GLU B 463 -6.293 -1.031 -13.228 1.00 0.00 H new ATOM 0 HG3 GLU B 463 -7.110 -2.535 -13.603 1.00 0.00 H new ATOM 2003 N THR B 464 -9.273 1.166 -11.188 1.00 0.00 N ATOM 2004 CA THR B 464 -9.973 2.324 -11.730 1.00 0.00 C ATOM 2005 C THR B 464 -9.586 3.594 -10.980 1.00 0.00 C ATOM 2006 O THR B 464 -10.255 3.992 -10.026 1.00 0.00 O ATOM 2007 CB THR B 464 -11.486 2.113 -11.653 1.00 0.00 C ATOM 2008 OG1 THR B 464 -11.856 1.596 -10.387 1.00 0.00 O ATOM 2009 CG2 THR B 464 -12.013 1.165 -12.708 1.00 0.00 C ATOM 0 H THR B 464 -9.806 0.636 -10.499 1.00 0.00 H new ATOM 0 HA THR B 464 -9.682 2.438 -12.774 1.00 0.00 H new ATOM 0 HB THR B 464 -11.924 3.097 -11.821 1.00 0.00 H new ATOM 0 HG1 THR B 464 -11.815 0.617 -10.409 1.00 0.00 H new ATOM 0 HG21 THR B 464 -13.092 1.060 -12.597 1.00 0.00 H new ATOM 0 HG22 THR B 464 -11.787 1.561 -13.698 1.00 0.00 H new ATOM 0 HG23 THR B 464 -11.540 0.190 -12.590 1.00 0.00 H new ATOM 2017 N THR B 465 -8.501 4.226 -11.416 1.00 0.00 N ATOM 2018 CA THR B 465 -8.024 5.451 -10.785 1.00 0.00 C ATOM 2019 C THR B 465 -7.765 6.535 -11.827 1.00 0.00 C ATOM 2020 O THR B 465 -6.786 7.275 -11.738 1.00 0.00 O ATOM 2021 CB THR B 465 -6.747 5.175 -9.990 1.00 0.00 C ATOM 2022 OG1 THR B 465 -6.937 4.094 -9.095 1.00 0.00 O ATOM 2023 CG2 THR B 465 -6.278 6.364 -9.179 1.00 0.00 C ATOM 0 H THR B 465 -7.936 3.910 -12.204 1.00 0.00 H new ATOM 0 HA THR B 465 -8.798 5.805 -10.104 1.00 0.00 H new ATOM 0 HB THR B 465 -5.988 4.942 -10.736 1.00 0.00 H new ATOM 0 HG1 THR B 465 -7.180 4.440 -8.211 1.00 0.00 H new ATOM 0 HG21 THR B 465 -5.368 6.100 -8.640 1.00 0.00 H new ATOM 0 HG22 THR B 465 -6.075 7.202 -9.846 1.00 0.00 H new ATOM 0 HG23 THR B 465 -7.053 6.647 -8.467 1.00 0.00 H new TER 2031 THR B 465