USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 505 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 38 CYS SG : rot -156:sc= 0.69 USER MOD Set 1.2: A 62 CYS SG : rot -179:sc= 0.0235 USER MOD Set 2.1: A 8 CYS SG : rot 171:sc= -0.208 USER MOD Set 2.2: A 11 CYS SG : rot 180:sc= -1.41 USER MOD Set 2.3: A 32 HIS : no HD1:sc= -1.17 K(o=-2.8,f=-4.7) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0206 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00445 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0752 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0175) USER MOD Single : A 25 CYS SG : rot 21:sc= 0.0492 USER MOD Single : A 27 GLN : amide:sc= -0.204 K(o=-0.2,f=-0.84) USER MOD Single : A 29 SER OG : rot 72:sc= 1.13 USER MOD Single : A 30 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.83) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 30:sc= -0.0217 USER MOD Single : A 37 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.8!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.61 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 0.626 (180deg=-0.241) USER MOD Single : A 52 THR OG1 : rot 43:sc= 0.14 USER MOD Single : A 53 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.32) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0643 F(o=-0.57,f=-0.064) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 1.06 (180deg=0.261) USER MOD Single : A 59 CYS SG : rot 180:sc= 0.428 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= -0.0135 (180deg=-0.0703) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.078 -12.860 7.179 1.00 0.00 N ATOM 2 CA GLY A 1 13.940 -13.598 5.923 1.00 0.00 C ATOM 3 C GLY A 1 12.479 -13.646 5.529 1.00 0.00 C ATOM 4 O GLY A 1 11.801 -12.618 5.584 1.00 0.00 O ATOM 0 H1 GLY A 1 14.967 -12.321 7.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.277 -12.205 7.287 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.088 -13.529 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.524 -13.117 5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.331 -14.609 6.037 1.00 0.00 H new ATOM 8 N SER A 2 11.995 -14.824 5.134 1.00 0.00 N ATOM 9 CA SER A 2 10.621 -15.047 4.719 1.00 0.00 C ATOM 10 C SER A 2 9.816 -15.733 5.831 1.00 0.00 C ATOM 11 O SER A 2 10.366 -16.189 6.846 1.00 0.00 O ATOM 12 CB SER A 2 10.636 -15.837 3.402 1.00 0.00 C ATOM 13 OG SER A 2 11.517 -16.947 3.429 1.00 0.00 O ATOM 0 H SER A 2 12.567 -15.667 5.095 1.00 0.00 H new ATOM 0 HA SER A 2 10.115 -14.098 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.627 -16.187 3.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.925 -15.171 2.589 1.00 0.00 H new ATOM 0 HG SER A 2 11.484 -17.412 2.567 1.00 0.00 H new ATOM 19 N SER A 3 8.503 -15.803 5.636 1.00 0.00 N ATOM 20 CA SER A 3 7.538 -16.405 6.539 1.00 0.00 C ATOM 21 C SER A 3 6.207 -16.477 5.790 1.00 0.00 C ATOM 22 O SER A 3 5.829 -15.520 5.110 1.00 0.00 O ATOM 23 CB SER A 3 7.398 -15.575 7.834 1.00 0.00 C ATOM 24 OG SER A 3 7.670 -14.195 7.650 1.00 0.00 O ATOM 0 H SER A 3 8.064 -15.420 4.799 1.00 0.00 H new ATOM 0 HA SER A 3 7.864 -17.401 6.840 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.386 -15.690 8.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.076 -15.974 8.588 1.00 0.00 H new ATOM 0 HG SER A 3 7.563 -13.724 8.503 1.00 0.00 H new ATOM 30 N GLY A 4 5.511 -17.611 5.886 1.00 0.00 N ATOM 31 CA GLY A 4 4.221 -17.805 5.244 1.00 0.00 C ATOM 32 C GLY A 4 3.184 -17.328 6.244 1.00 0.00 C ATOM 33 O GLY A 4 2.770 -18.103 7.110 1.00 0.00 O ATOM 0 H GLY A 4 5.833 -18.421 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.158 -17.238 4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.065 -18.853 4.989 1.00 0.00 H new ATOM 37 N SER A 5 2.825 -16.051 6.164 1.00 0.00 N ATOM 38 CA SER A 5 1.867 -15.370 7.020 1.00 0.00 C ATOM 39 C SER A 5 0.427 -15.817 6.734 1.00 0.00 C ATOM 40 O SER A 5 -0.408 -15.014 6.315 1.00 0.00 O ATOM 41 CB SER A 5 2.027 -13.855 6.823 1.00 0.00 C ATOM 42 OG SER A 5 3.381 -13.454 6.926 1.00 0.00 O ATOM 0 H SER A 5 3.219 -15.430 5.458 1.00 0.00 H new ATOM 0 HA SER A 5 2.069 -15.631 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.637 -13.572 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.433 -13.326 7.569 1.00 0.00 H new ATOM 0 HG SER A 5 3.446 -12.485 6.794 1.00 0.00 H new ATOM 48 N SER A 6 0.125 -17.099 6.919 1.00 0.00 N ATOM 49 CA SER A 6 -1.205 -17.646 6.697 1.00 0.00 C ATOM 50 C SER A 6 -2.165 -17.116 7.771 1.00 0.00 C ATOM 51 O SER A 6 -1.889 -17.261 8.970 1.00 0.00 O ATOM 52 CB SER A 6 -1.141 -19.181 6.666 1.00 0.00 C ATOM 53 OG SER A 6 -0.115 -19.724 7.490 1.00 0.00 O ATOM 0 H SER A 6 0.805 -17.792 7.230 1.00 0.00 H new ATOM 0 HA SER A 6 -1.589 -17.323 5.729 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.103 -19.583 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.983 -19.509 5.639 1.00 0.00 H new ATOM 0 HG SER A 6 -0.128 -20.702 7.427 1.00 0.00 H new ATOM 59 N GLY A 7 -3.283 -16.520 7.344 1.00 0.00 N ATOM 60 CA GLY A 7 -4.317 -15.956 8.203 1.00 0.00 C ATOM 61 C GLY A 7 -4.424 -14.435 8.071 1.00 0.00 C ATOM 62 O GLY A 7 -3.754 -13.826 7.241 1.00 0.00 O ATOM 0 H GLY A 7 -3.496 -16.416 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.277 -16.407 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.103 -16.213 9.240 1.00 0.00 H new ATOM 66 N CYS A 8 -5.306 -13.791 8.857 1.00 0.00 N ATOM 67 CA CYS A 8 -5.434 -12.327 8.775 1.00 0.00 C ATOM 68 C CYS A 8 -4.120 -11.731 9.237 1.00 0.00 C ATOM 69 O CYS A 8 -3.777 -11.978 10.386 1.00 0.00 O ATOM 70 CB CYS A 8 -6.527 -11.705 9.695 1.00 0.00 C ATOM 71 SG CYS A 8 -7.059 -10.093 9.069 1.00 0.00 S ATOM 0 H CYS A 8 -5.921 -14.243 9.534 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.708 -12.108 7.743 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.383 -12.377 9.754 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.137 -11.596 10.707 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.097 -9.688 9.739 1.00 0.00 H new ATOM 76 N VAL A 9 -3.450 -10.877 8.467 1.00 0.00 N ATOM 77 CA VAL A 9 -2.201 -10.273 8.947 1.00 0.00 C ATOM 78 C VAL A 9 -2.483 -9.512 10.269 1.00 0.00 C ATOM 79 O VAL A 9 -1.646 -9.419 11.157 1.00 0.00 O ATOM 80 CB VAL A 9 -1.655 -9.349 7.841 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.359 -8.652 8.259 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.383 -10.121 6.541 1.00 0.00 C ATOM 0 H VAL A 9 -3.738 -10.590 7.531 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.446 -11.029 9.161 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.430 -8.601 7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.012 -8.012 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.542 -8.046 9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.402 -9.401 8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.999 -9.436 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.647 -10.903 6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.309 -10.572 6.185 1.00 0.00 H new ATOM 92 N ALA A 10 -3.729 -9.054 10.421 1.00 0.00 N ATOM 93 CA ALA A 10 -4.297 -8.295 11.525 1.00 0.00 C ATOM 94 C ALA A 10 -4.886 -9.106 12.697 1.00 0.00 C ATOM 95 O ALA A 10 -5.817 -8.629 13.346 1.00 0.00 O ATOM 96 CB ALA A 10 -5.329 -7.359 10.938 1.00 0.00 C ATOM 0 H ALA A 10 -4.429 -9.226 9.699 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.469 -7.769 12.000 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.781 -6.769 11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.850 -6.693 10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.102 -7.939 10.434 1.00 0.00 H new ATOM 102 N CYS A 11 -4.649 -10.415 12.788 1.00 0.00 N ATOM 103 CA CYS A 11 -5.088 -11.272 13.927 1.00 0.00 C ATOM 104 C CYS A 11 -4.523 -12.699 13.896 1.00 0.00 C ATOM 105 O CYS A 11 -4.790 -13.493 14.799 1.00 0.00 O ATOM 106 CB CYS A 11 -6.606 -11.391 14.139 1.00 0.00 C ATOM 107 SG CYS A 11 -7.460 -12.417 12.927 1.00 0.00 S ATOM 0 H CYS A 11 -4.141 -10.932 12.070 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.668 -10.713 14.763 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.789 -11.799 15.133 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.041 -10.392 14.119 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.730 -12.448 13.203 1.00 0.00 H new ATOM 112 N SER A 12 -3.850 -13.067 12.814 1.00 0.00 N ATOM 113 CA SER A 12 -3.233 -14.349 12.522 1.00 0.00 C ATOM 114 C SER A 12 -4.201 -15.547 12.540 1.00 0.00 C ATOM 115 O SER A 12 -3.756 -16.696 12.488 1.00 0.00 O ATOM 116 CB SER A 12 -2.012 -14.525 13.428 1.00 0.00 C ATOM 117 OG SER A 12 -1.172 -13.386 13.329 1.00 0.00 O ATOM 0 H SER A 12 -3.711 -12.410 12.046 1.00 0.00 H new ATOM 0 HA SER A 12 -2.903 -14.336 11.483 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.331 -14.664 14.461 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.461 -15.421 13.141 1.00 0.00 H new ATOM 0 HG SER A 12 -0.393 -13.503 13.912 1.00 0.00 H new ATOM 123 N LYS A 13 -5.522 -15.323 12.614 1.00 0.00 N ATOM 124 CA LYS A 13 -6.495 -16.414 12.628 1.00 0.00 C ATOM 125 C LYS A 13 -6.606 -17.050 11.255 1.00 0.00 C ATOM 126 O LYS A 13 -6.394 -16.340 10.268 1.00 0.00 O ATOM 127 CB LYS A 13 -7.916 -15.925 12.933 1.00 0.00 C ATOM 128 CG LYS A 13 -8.194 -15.818 14.434 1.00 0.00 C ATOM 129 CD LYS A 13 -9.690 -15.579 14.642 1.00 0.00 C ATOM 130 CE LYS A 13 -10.082 -15.766 16.106 1.00 0.00 C ATOM 131 NZ LYS A 13 -11.537 -15.623 16.301 1.00 0.00 N ATOM 0 H LYS A 13 -5.937 -14.392 12.665 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.138 -17.104 13.392 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.068 -14.950 12.469 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.636 -16.608 12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.884 -16.731 14.941 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.617 -15.001 14.867 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.948 -14.570 14.320 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.261 -16.268 14.019 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.764 -16.752 16.445 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.558 -15.033 16.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.767 -15.756 17.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.836 -14.673 16.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.035 -16.339 15.734 1.00 0.00 H new ATOM 145 N PRO A 14 -7.022 -18.324 11.194 1.00 0.00 N ATOM 146 CA PRO A 14 -7.203 -19.019 9.941 1.00 0.00 C ATOM 147 C PRO A 14 -8.342 -18.358 9.170 1.00 0.00 C ATOM 148 O PRO A 14 -9.315 -17.860 9.749 1.00 0.00 O ATOM 149 CB PRO A 14 -7.512 -20.475 10.296 1.00 0.00 C ATOM 150 CG PRO A 14 -8.027 -20.414 11.732 1.00 0.00 C ATOM 151 CD PRO A 14 -7.292 -19.214 12.314 1.00 0.00 C ATOM 0 HA PRO A 14 -6.320 -18.979 9.303 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.258 -20.898 9.624 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.623 -21.100 10.219 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.108 -20.280 11.767 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.802 -21.329 12.280 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.898 -18.715 13.071 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.366 -19.522 12.799 1.00 0.00 H new ATOM 159 N ILE A 15 -8.191 -18.367 7.856 1.00 0.00 N ATOM 160 CA ILE A 15 -9.086 -17.823 6.857 1.00 0.00 C ATOM 161 C ILE A 15 -9.715 -19.009 6.138 1.00 0.00 C ATOM 162 O ILE A 15 -9.036 -19.867 5.569 1.00 0.00 O ATOM 163 CB ILE A 15 -8.293 -16.879 5.929 1.00 0.00 C ATOM 164 CG1 ILE A 15 -8.069 -15.551 6.691 1.00 0.00 C ATOM 165 CG2 ILE A 15 -9.033 -16.696 4.590 1.00 0.00 C ATOM 166 CD1 ILE A 15 -7.130 -14.570 5.990 1.00 0.00 C ATOM 0 H ILE A 15 -7.368 -18.792 7.428 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.887 -17.219 7.284 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.320 -17.297 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.033 -15.066 6.842 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.667 -15.777 7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.461 -16.028 3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.144 -17.664 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.018 -16.267 4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.030 -13.668 6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.151 -15.032 5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.538 -14.310 5.013 1.00 0.00 H new ATOM 178 N SER A 16 -11.039 -19.064 6.176 1.00 0.00 N ATOM 179 CA SER A 16 -11.833 -20.104 5.562 1.00 0.00 C ATOM 180 C SER A 16 -12.614 -19.500 4.409 1.00 0.00 C ATOM 181 O SER A 16 -13.458 -18.627 4.625 1.00 0.00 O ATOM 182 CB SER A 16 -12.777 -20.680 6.607 1.00 0.00 C ATOM 183 OG SER A 16 -12.054 -21.259 7.689 1.00 0.00 O ATOM 0 H SER A 16 -11.603 -18.360 6.652 1.00 0.00 H new ATOM 0 HA SER A 16 -11.199 -20.904 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.432 -19.894 6.983 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.416 -21.434 6.148 1.00 0.00 H new ATOM 0 HG SER A 16 -12.684 -21.620 8.347 1.00 0.00 H new ATOM 189 N GLY A 17 -12.305 -19.924 3.192 1.00 0.00 N ATOM 190 CA GLY A 17 -12.944 -19.495 1.965 1.00 0.00 C ATOM 191 C GLY A 17 -13.620 -20.736 1.411 1.00 0.00 C ATOM 192 O GLY A 17 -12.947 -21.518 0.739 1.00 0.00 O ATOM 0 H GLY A 17 -11.567 -20.609 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.669 -18.704 2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.214 -19.096 1.260 1.00 0.00 H new ATOM 196 N LEU A 18 -14.873 -20.972 1.813 1.00 0.00 N ATOM 197 CA LEU A 18 -15.707 -22.096 1.389 1.00 0.00 C ATOM 198 C LEU A 18 -17.182 -21.738 1.578 1.00 0.00 C ATOM 199 O LEU A 18 -17.982 -21.925 0.668 1.00 0.00 O ATOM 200 CB LEU A 18 -15.374 -23.388 2.162 1.00 0.00 C ATOM 201 CG LEU A 18 -16.144 -24.612 1.614 1.00 0.00 C ATOM 202 CD1 LEU A 18 -15.643 -25.005 0.223 1.00 0.00 C ATOM 203 CD2 LEU A 18 -15.990 -25.809 2.555 1.00 0.00 C ATOM 0 H LEU A 18 -15.352 -20.357 2.471 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.502 -22.286 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -14.302 -23.579 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.616 -23.251 3.216 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.195 -24.331 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.204 -25.868 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.784 -24.170 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.584 -25.257 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.539 -26.661 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.935 -26.067 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.387 -25.553 3.537 1.00 0.00 H new ATOM 215 N THR A 19 -17.575 -21.257 2.762 1.00 0.00 N ATOM 216 CA THR A 19 -18.963 -20.878 3.020 1.00 0.00 C ATOM 217 C THR A 19 -19.303 -19.553 2.305 1.00 0.00 C ATOM 218 O THR A 19 -20.471 -19.286 2.002 1.00 0.00 O ATOM 219 CB THR A 19 -19.212 -20.761 4.538 1.00 0.00 C ATOM 220 OG1 THR A 19 -18.618 -21.821 5.284 1.00 0.00 O ATOM 221 CG2 THR A 19 -20.713 -20.775 4.823 1.00 0.00 C ATOM 0 H THR A 19 -16.949 -21.122 3.556 1.00 0.00 H new ATOM 0 HA THR A 19 -19.617 -21.655 2.624 1.00 0.00 H new ATOM 0 HB THR A 19 -18.754 -19.822 4.849 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.806 -21.695 6.238 1.00 0.00 H new ATOM 0 HG21 THR A 19 -20.880 -20.692 5.897 1.00 0.00 H new ATOM 0 HG22 THR A 19 -21.187 -19.935 4.316 1.00 0.00 H new ATOM 0 HG23 THR A 19 -21.144 -21.708 4.460 1.00 0.00 H new ATOM 229 N GLY A 20 -18.300 -18.726 1.997 1.00 0.00 N ATOM 230 CA GLY A 20 -18.455 -17.436 1.335 1.00 0.00 C ATOM 231 C GLY A 20 -18.076 -16.273 2.251 1.00 0.00 C ATOM 232 O GLY A 20 -18.743 -15.242 2.251 1.00 0.00 O ATOM 0 H GLY A 20 -17.327 -18.947 2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -17.833 -17.411 0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -19.488 -17.318 1.008 1.00 0.00 H new ATOM 236 N ALA A 21 -17.059 -16.458 3.094 1.00 0.00 N ATOM 237 CA ALA A 21 -16.569 -15.444 4.017 1.00 0.00 C ATOM 238 C ALA A 21 -16.030 -14.254 3.220 1.00 0.00 C ATOM 239 O ALA A 21 -15.089 -14.430 2.445 1.00 0.00 O ATOM 240 CB ALA A 21 -15.439 -16.047 4.857 1.00 0.00 C ATOM 0 H ALA A 21 -16.545 -17.337 3.152 1.00 0.00 H new ATOM 0 HA ALA A 21 -17.377 -15.109 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.063 -15.297 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.818 -16.903 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.631 -16.371 4.201 1.00 0.00 H new ATOM 246 N LYS A 22 -16.604 -13.059 3.386 1.00 0.00 N ATOM 247 CA LYS A 22 -16.125 -11.881 2.664 1.00 0.00 C ATOM 248 C LYS A 22 -14.715 -11.558 3.148 1.00 0.00 C ATOM 249 O LYS A 22 -14.483 -11.511 4.364 1.00 0.00 O ATOM 250 CB LYS A 22 -17.090 -10.703 2.849 1.00 0.00 C ATOM 251 CG LYS A 22 -16.598 -9.457 2.091 1.00 0.00 C ATOM 252 CD LYS A 22 -17.699 -8.409 1.880 1.00 0.00 C ATOM 253 CE LYS A 22 -18.778 -8.861 0.889 1.00 0.00 C ATOM 254 NZ LYS A 22 -18.290 -8.970 -0.503 1.00 0.00 N ATOM 0 H LYS A 22 -17.393 -12.884 4.008 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.088 -12.081 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.081 -10.982 2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.187 -10.472 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.774 -9.004 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.203 -9.761 1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.166 -8.184 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.248 -7.484 1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.169 -9.828 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.608 -8.155 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.083 -9.213 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.880 -8.061 -0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.564 -9.712 -0.559 1.00 0.00 H new ATOM 268 N PHE A 23 -13.783 -11.329 2.227 1.00 0.00 N ATOM 269 CA PHE A 23 -12.387 -11.009 2.506 1.00 0.00 C ATOM 270 C PHE A 23 -11.825 -10.032 1.475 1.00 0.00 C ATOM 271 O PHE A 23 -12.454 -9.794 0.444 1.00 0.00 O ATOM 272 CB PHE A 23 -11.547 -12.281 2.620 1.00 0.00 C ATOM 273 CG PHE A 23 -11.767 -13.381 1.591 1.00 0.00 C ATOM 274 CD1 PHE A 23 -11.630 -13.133 0.211 1.00 0.00 C ATOM 275 CD2 PHE A 23 -12.094 -14.680 2.023 1.00 0.00 C ATOM 276 CE1 PHE A 23 -11.842 -14.166 -0.721 1.00 0.00 C ATOM 277 CE2 PHE A 23 -12.312 -15.710 1.094 1.00 0.00 C ATOM 278 CZ PHE A 23 -12.193 -15.453 -0.281 1.00 0.00 C ATOM 0 H PHE A 23 -13.988 -11.363 1.228 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.339 -10.506 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.497 -11.992 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.722 -12.708 3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.361 -12.145 -0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.178 -14.887 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.735 -13.969 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.571 -16.701 1.437 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.371 -16.241 -0.997 1.00 0.00 H new ATOM 288 N ILE A 24 -10.674 -9.427 1.771 1.00 0.00 N ATOM 289 CA ILE A 24 -9.981 -8.451 0.933 1.00 0.00 C ATOM 290 C ILE A 24 -8.519 -8.909 0.790 1.00 0.00 C ATOM 291 O ILE A 24 -7.996 -9.570 1.694 1.00 0.00 O ATOM 292 CB ILE A 24 -10.107 -7.066 1.621 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.587 -6.649 1.820 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.357 -5.978 0.835 1.00 0.00 C ATOM 295 CD1 ILE A 24 -11.764 -5.531 2.840 1.00 0.00 C ATOM 0 H ILE A 24 -10.178 -9.614 2.642 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.408 -8.372 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.648 -7.166 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.999 -6.328 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.163 -7.518 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.466 -5.021 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.300 -6.238 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.772 -5.903 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.822 -5.287 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.381 -5.857 3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.215 -4.648 2.511 1.00 0.00 H new ATOM 307 N CYS A 25 -7.876 -8.667 -0.357 1.00 0.00 N ATOM 308 CA CYS A 25 -6.476 -9.020 -0.594 1.00 0.00 C ATOM 309 C CYS A 25 -5.776 -7.821 -1.208 1.00 0.00 C ATOM 310 O CYS A 25 -6.202 -7.353 -2.266 1.00 0.00 O ATOM 311 CB CYS A 25 -6.321 -10.242 -1.494 1.00 0.00 C ATOM 312 SG CYS A 25 -4.582 -10.775 -1.450 1.00 0.00 S ATOM 0 H CYS A 25 -8.321 -8.215 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.023 -9.284 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.973 -11.047 -1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.617 -10.001 -2.515 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.009 -10.300 -0.384 1.00 0.00 H new ATOM 318 N PHE A 26 -4.761 -7.286 -0.548 1.00 0.00 N ATOM 319 CA PHE A 26 -3.976 -6.151 -1.012 1.00 0.00 C ATOM 320 C PHE A 26 -2.524 -6.545 -0.792 1.00 0.00 C ATOM 321 O PHE A 26 -2.221 -7.192 0.204 1.00 0.00 O ATOM 322 CB PHE A 26 -4.328 -4.870 -0.237 1.00 0.00 C ATOM 323 CG PHE A 26 -5.428 -3.996 -0.819 1.00 0.00 C ATOM 324 CD1 PHE A 26 -6.729 -4.492 -1.024 1.00 0.00 C ATOM 325 CD2 PHE A 26 -5.155 -2.653 -1.138 1.00 0.00 C ATOM 326 CE1 PHE A 26 -7.733 -3.670 -1.564 1.00 0.00 C ATOM 327 CE2 PHE A 26 -6.155 -1.826 -1.672 1.00 0.00 C ATOM 328 CZ PHE A 26 -7.447 -2.337 -1.892 1.00 0.00 C ATOM 0 H PHE A 26 -4.450 -7.641 0.356 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.178 -5.928 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.619 -5.154 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.425 -4.266 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.958 -5.515 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.165 -2.254 -0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -8.725 -4.065 -1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.933 -0.797 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.216 -1.705 -2.312 1.00 0.00 H new ATOM 338 N GLN A 27 -1.633 -6.143 -1.691 1.00 0.00 N ATOM 339 CA GLN A 27 -0.207 -6.418 -1.664 1.00 0.00 C ATOM 340 C GLN A 27 0.154 -7.819 -1.147 1.00 0.00 C ATOM 341 O GLN A 27 0.908 -7.972 -0.182 1.00 0.00 O ATOM 342 CB GLN A 27 0.522 -5.288 -0.923 1.00 0.00 C ATOM 343 CG GLN A 27 1.967 -5.151 -1.423 1.00 0.00 C ATOM 344 CD GLN A 27 2.051 -4.653 -2.864 1.00 0.00 C ATOM 345 OE1 GLN A 27 1.159 -3.971 -3.370 1.00 0.00 O ATOM 346 NE2 GLN A 27 3.159 -4.893 -3.537 1.00 0.00 N ATOM 0 H GLN A 27 -1.904 -5.586 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 27 0.144 -6.435 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.009 -4.348 -1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.521 -5.489 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.507 -4.462 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.466 -6.117 -1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.898 -5.458 -3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.277 -4.514 -4.476 1.00 0.00 H new ATOM 355 N ASP A 28 -0.407 -8.846 -1.790 1.00 0.00 N ATOM 356 CA ASP A 28 -0.161 -10.265 -1.479 1.00 0.00 C ATOM 357 C ASP A 28 -0.440 -10.610 -0.004 1.00 0.00 C ATOM 358 O ASP A 28 0.097 -11.574 0.550 1.00 0.00 O ATOM 359 CB ASP A 28 1.304 -10.550 -1.870 1.00 0.00 C ATOM 360 CG ASP A 28 1.581 -11.914 -2.484 1.00 0.00 C ATOM 361 OD1 ASP A 28 1.315 -12.963 -1.863 1.00 0.00 O ATOM 362 OD2 ASP A 28 2.197 -11.922 -3.580 1.00 0.00 O ATOM 0 H ASP A 28 -1.062 -8.716 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.847 -10.898 -2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.625 -9.784 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.924 -10.443 -0.980 1.00 0.00 H new ATOM 367 N SER A 29 -1.295 -9.828 0.651 1.00 0.00 N ATOM 368 CA SER A 29 -1.660 -9.955 2.047 1.00 0.00 C ATOM 369 C SER A 29 -3.182 -10.003 2.186 1.00 0.00 C ATOM 370 O SER A 29 -3.902 -9.187 1.603 1.00 0.00 O ATOM 371 CB SER A 29 -1.040 -8.756 2.766 1.00 0.00 C ATOM 372 OG SER A 29 0.345 -8.633 2.451 1.00 0.00 O ATOM 0 H SER A 29 -1.772 -9.052 0.193 1.00 0.00 H new ATOM 0 HA SER A 29 -1.288 -10.879 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.564 -7.844 2.479 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.163 -8.869 3.843 1.00 0.00 H new ATOM 0 HG SER A 29 0.444 -8.323 1.527 1.00 0.00 H new ATOM 378 N GLN A 30 -3.670 -10.979 2.950 1.00 0.00 N ATOM 379 CA GLN A 30 -5.090 -11.183 3.176 1.00 0.00 C ATOM 380 C GLN A 30 -5.547 -10.406 4.412 1.00 0.00 C ATOM 381 O GLN A 30 -4.948 -10.498 5.493 1.00 0.00 O ATOM 382 CB GLN A 30 -5.368 -12.684 3.317 1.00 0.00 C ATOM 383 CG GLN A 30 -5.144 -13.440 1.992 1.00 0.00 C ATOM 384 CD GLN A 30 -5.558 -14.906 2.101 1.00 0.00 C ATOM 385 OE1 GLN A 30 -6.673 -15.213 2.513 1.00 0.00 O ATOM 386 NE2 GLN A 30 -4.693 -15.834 1.739 1.00 0.00 N ATOM 0 H GLN A 30 -3.079 -11.656 3.433 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.658 -10.805 2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.720 -13.102 4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.395 -12.833 3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.715 -12.959 1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.093 -13.379 1.711 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.770 -15.566 1.398 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.947 -16.820 1.800 1.00 0.00 H new ATOM 395 N TRP A 31 -6.631 -9.647 4.254 1.00 0.00 N ATOM 396 CA TRP A 31 -7.221 -8.831 5.297 1.00 0.00 C ATOM 397 C TRP A 31 -8.728 -9.066 5.385 1.00 0.00 C ATOM 398 O TRP A 31 -9.454 -9.086 4.390 1.00 0.00 O ATOM 399 CB TRP A 31 -6.916 -7.341 5.058 1.00 0.00 C ATOM 400 CG TRP A 31 -5.598 -6.855 5.589 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.331 -6.630 6.895 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.399 -6.421 4.870 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.052 -6.140 7.040 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.422 -6.005 5.826 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.044 -6.294 3.510 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.152 -5.539 5.459 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -2.789 -5.777 3.132 1.00 0.00 C ATOM 408 CH2 TRP A 31 -1.832 -5.429 4.097 1.00 0.00 C ATOM 0 H TRP A 31 -7.132 -9.586 3.368 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.777 -9.123 6.249 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.948 -7.150 3.985 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.711 -6.749 5.511 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.021 -6.809 7.707 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -3.626 -5.906 7.937 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.745 -6.598 2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.429 -5.268 6.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.561 -5.647 2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.856 -5.079 3.794 1.00 0.00 H new ATOM 419 N HIS A 32 -9.188 -9.249 6.622 1.00 0.00 N ATOM 420 CA HIS A 32 -10.595 -9.444 6.958 1.00 0.00 C ATOM 421 C HIS A 32 -11.306 -8.115 6.680 1.00 0.00 C ATOM 422 O HIS A 32 -10.655 -7.070 6.770 1.00 0.00 O ATOM 423 CB HIS A 32 -10.720 -9.715 8.468 1.00 0.00 C ATOM 424 CG HIS A 32 -10.333 -11.085 8.962 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.792 -11.353 10.230 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.623 -12.258 8.338 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.848 -12.702 10.341 1.00 0.00 C ATOM 428 NE2 HIS A 32 -10.296 -13.264 9.210 1.00 0.00 N ATOM 0 H HIS A 32 -8.576 -9.266 7.438 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.015 -10.272 6.387 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.107 -8.982 8.993 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.755 -9.532 8.758 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.033 -12.375 7.345 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.568 -13.253 11.226 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -10.379 -14.264 9.030 1.00 0.00 H new ATOM 436 N SER A 33 -12.614 -8.117 6.398 1.00 0.00 N ATOM 437 CA SER A 33 -13.338 -6.865 6.168 1.00 0.00 C ATOM 438 C SER A 33 -13.233 -6.039 7.469 1.00 0.00 C ATOM 439 O SER A 33 -13.013 -4.830 7.459 1.00 0.00 O ATOM 440 CB SER A 33 -14.792 -7.150 5.737 1.00 0.00 C ATOM 441 OG SER A 33 -15.457 -7.997 6.659 1.00 0.00 O ATOM 0 H SER A 33 -13.185 -8.959 6.325 1.00 0.00 H new ATOM 0 HA SER A 33 -12.906 -6.291 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.336 -6.210 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.795 -7.613 4.750 1.00 0.00 H new ATOM 0 HG SER A 33 -16.375 -8.154 6.355 1.00 0.00 H new ATOM 447 N GLU A 34 -13.268 -6.722 8.617 1.00 0.00 N ATOM 448 CA GLU A 34 -13.165 -6.147 9.955 1.00 0.00 C ATOM 449 C GLU A 34 -11.740 -5.697 10.310 1.00 0.00 C ATOM 450 O GLU A 34 -11.484 -5.384 11.471 1.00 0.00 O ATOM 451 CB GLU A 34 -13.571 -7.199 10.986 1.00 0.00 C ATOM 452 CG GLU A 34 -14.982 -7.741 10.795 1.00 0.00 C ATOM 453 CD GLU A 34 -15.327 -8.611 11.994 1.00 0.00 C ATOM 454 OE1 GLU A 34 -14.551 -9.543 12.313 1.00 0.00 O ATOM 455 OE2 GLU A 34 -16.363 -8.367 12.652 1.00 0.00 O ATOM 0 H GLU A 34 -13.374 -7.736 8.636 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.819 -5.275 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.865 -8.028 10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.491 -6.766 11.983 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.694 -6.921 10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.044 -8.321 9.874 1.00 0.00 H new ATOM 462 N CYS A 35 -10.778 -5.778 9.389 1.00 0.00 N ATOM 463 CA CYS A 35 -9.403 -5.364 9.637 1.00 0.00 C ATOM 464 C CYS A 35 -8.775 -4.636 8.449 1.00 0.00 C ATOM 465 O CYS A 35 -7.552 -4.662 8.311 1.00 0.00 O ATOM 466 CB CYS A 35 -8.559 -6.520 10.179 1.00 0.00 C ATOM 467 SG CYS A 35 -8.587 -6.620 11.972 1.00 0.00 S ATOM 0 H CYS A 35 -10.936 -6.135 8.447 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.428 -4.614 10.427 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.925 -7.458 9.761 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.529 -6.401 9.842 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.725 -6.172 12.414 1.00 0.00 H new ATOM 472 N PHE A 36 -9.580 -4.071 7.553 1.00 0.00 N ATOM 473 CA PHE A 36 -9.090 -3.288 6.431 1.00 0.00 C ATOM 474 C PHE A 36 -9.545 -1.911 6.906 1.00 0.00 C ATOM 475 O PHE A 36 -10.724 -1.556 6.783 1.00 0.00 O ATOM 476 CB PHE A 36 -9.723 -3.806 5.143 1.00 0.00 C ATOM 477 CG PHE A 36 -9.275 -3.071 3.904 1.00 0.00 C ATOM 478 CD1 PHE A 36 -8.074 -3.436 3.266 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.044 -2.004 3.401 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.650 -2.743 2.120 1.00 0.00 C ATOM 481 CE2 PHE A 36 -9.611 -1.304 2.264 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.419 -1.680 1.617 1.00 0.00 C ATOM 0 H PHE A 36 -10.597 -4.146 7.589 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.027 -3.312 6.189 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.485 -4.864 5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.807 -3.731 5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.479 -4.248 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.966 -1.725 3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.733 -3.027 1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.193 -0.477 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.095 -1.151 0.733 1.00 0.00 H new ATOM 492 N ASN A 37 -8.616 -1.142 7.477 1.00 0.00 N ATOM 493 CA ASN A 37 -8.931 0.155 8.050 1.00 0.00 C ATOM 494 C ASN A 37 -7.762 1.134 8.048 1.00 0.00 C ATOM 495 O ASN A 37 -6.651 0.791 7.653 1.00 0.00 O ATOM 496 CB ASN A 37 -9.396 -0.111 9.492 1.00 0.00 C ATOM 497 CG ASN A 37 -8.377 -0.808 10.383 1.00 0.00 C ATOM 498 OD1 ASN A 37 -7.242 -0.363 10.510 1.00 0.00 O ATOM 499 ND2 ASN A 37 -8.777 -1.866 11.065 1.00 0.00 N ATOM 0 H ASN A 37 -7.633 -1.404 7.552 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.698 0.632 7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.666 0.840 9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.301 -0.717 9.459 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.137 -2.328 11.711 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.726 -2.221 10.945 1.00 0.00 H new ATOM 506 N CYS A 38 -8.013 2.376 8.492 1.00 0.00 N ATOM 507 CA CYS A 38 -6.992 3.414 8.556 1.00 0.00 C ATOM 508 C CYS A 38 -5.868 2.944 9.468 1.00 0.00 C ATOM 509 O CYS A 38 -6.073 3.006 10.679 1.00 0.00 O ATOM 510 CB CYS A 38 -7.534 4.765 9.113 1.00 0.00 C ATOM 511 SG CYS A 38 -6.311 6.066 8.846 1.00 0.00 S ATOM 0 H CYS A 38 -8.931 2.681 8.815 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.646 3.586 7.537 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.470 5.025 8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.752 4.670 10.177 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.503 7.025 9.703 1.00 0.00 H new ATOM 516 N GLY A 39 -4.679 2.671 8.934 1.00 0.00 N ATOM 517 CA GLY A 39 -3.487 2.223 9.660 1.00 0.00 C ATOM 518 C GLY A 39 -2.933 3.218 10.694 1.00 0.00 C ATOM 519 O GLY A 39 -1.789 3.092 11.123 1.00 0.00 O ATOM 0 H GLY A 39 -4.510 2.760 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.722 1.289 10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.703 2.003 8.936 1.00 0.00 H new ATOM 523 N LYS A 40 -3.705 4.253 11.039 1.00 0.00 N ATOM 524 CA LYS A 40 -3.423 5.312 11.998 1.00 0.00 C ATOM 525 C LYS A 40 -4.541 5.490 13.030 1.00 0.00 C ATOM 526 O LYS A 40 -4.335 6.159 14.036 1.00 0.00 O ATOM 527 CB LYS A 40 -3.201 6.634 11.251 1.00 0.00 C ATOM 528 CG LYS A 40 -1.751 6.754 10.776 1.00 0.00 C ATOM 529 CD LYS A 40 -1.355 8.163 10.307 1.00 0.00 C ATOM 530 CE LYS A 40 0.169 8.225 10.092 1.00 0.00 C ATOM 531 NZ LYS A 40 0.710 9.604 10.064 1.00 0.00 N ATOM 0 H LYS A 40 -4.624 4.377 10.613 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.524 5.023 12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.874 6.691 10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.445 7.471 11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.089 6.454 11.588 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.590 6.052 9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.874 8.408 9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.659 8.903 11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.662 7.667 10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.415 7.728 9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.739 9.570 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.266 10.135 9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.505 10.076 10.968 1.00 0.00 H new ATOM 545 N CYS A 41 -5.754 4.989 12.756 1.00 0.00 N ATOM 546 CA CYS A 41 -6.878 5.110 13.670 1.00 0.00 C ATOM 547 C CYS A 41 -7.825 3.907 13.805 1.00 0.00 C ATOM 548 O CYS A 41 -8.648 3.922 14.719 1.00 0.00 O ATOM 549 CB CYS A 41 -7.715 6.304 13.249 1.00 0.00 C ATOM 550 SG CYS A 41 -9.063 5.969 12.104 1.00 0.00 S ATOM 0 H CYS A 41 -5.974 4.491 11.894 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.406 5.205 14.648 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.133 6.762 14.145 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.054 7.041 12.793 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.690 7.076 11.836 1.00 0.00 H new ATOM 555 N SER A 42 -7.818 2.956 12.868 1.00 0.00 N ATOM 556 CA SER A 42 -8.657 1.755 12.847 1.00 0.00 C ATOM 557 C SER A 42 -10.061 1.940 12.249 1.00 0.00 C ATOM 558 O SER A 42 -10.812 0.971 12.194 1.00 0.00 O ATOM 559 CB SER A 42 -8.684 0.998 14.187 1.00 0.00 C ATOM 560 OG SER A 42 -7.373 0.791 14.686 1.00 0.00 O ATOM 0 H SER A 42 -7.195 3.005 12.062 1.00 0.00 H new ATOM 0 HA SER A 42 -8.142 1.111 12.134 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.268 1.562 14.914 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.181 0.037 14.055 1.00 0.00 H new ATOM 0 HG SER A 42 -7.420 0.310 15.538 1.00 0.00 H new ATOM 566 N VAL A 43 -10.445 3.128 11.762 1.00 0.00 N ATOM 567 CA VAL A 43 -11.767 3.306 11.149 1.00 0.00 C ATOM 568 C VAL A 43 -11.750 2.518 9.840 1.00 0.00 C ATOM 569 O VAL A 43 -10.821 2.701 9.038 1.00 0.00 O ATOM 570 CB VAL A 43 -12.145 4.788 10.955 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.443 5.511 9.788 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.651 4.954 10.757 1.00 0.00 C ATOM 0 H VAL A 43 -9.868 3.969 11.780 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.546 2.927 11.810 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.799 5.254 11.878 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.783 6.546 9.744 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.364 5.489 9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.685 5.010 8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.886 6.010 10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.965 4.397 9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.177 4.573 11.632 1.00 0.00 H new ATOM 582 N SER A 44 -12.729 1.636 9.669 1.00 0.00 N ATOM 583 CA SER A 44 -12.903 0.772 8.515 1.00 0.00 C ATOM 584 C SER A 44 -12.871 1.589 7.227 1.00 0.00 C ATOM 585 O SER A 44 -13.356 2.730 7.173 1.00 0.00 O ATOM 586 CB SER A 44 -14.199 -0.036 8.664 1.00 0.00 C ATOM 587 OG SER A 44 -14.367 -0.906 7.564 1.00 0.00 O ATOM 0 H SER A 44 -13.458 1.500 10.369 1.00 0.00 H new ATOM 0 HA SER A 44 -12.077 0.063 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.172 -0.611 9.590 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.051 0.641 8.734 1.00 0.00 H new ATOM 0 HG SER A 44 -15.197 -1.416 7.674 1.00 0.00 H new ATOM 593 N LEU A 45 -12.267 0.997 6.197 1.00 0.00 N ATOM 594 CA LEU A 45 -12.124 1.580 4.870 1.00 0.00 C ATOM 595 C LEU A 45 -12.889 0.760 3.827 1.00 0.00 C ATOM 596 O LEU A 45 -12.933 1.151 2.660 1.00 0.00 O ATOM 597 CB LEU A 45 -10.634 1.753 4.516 1.00 0.00 C ATOM 598 CG LEU A 45 -9.906 2.772 5.415 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.410 2.851 5.088 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.508 4.183 5.342 1.00 0.00 C ATOM 0 H LEU A 45 -11.851 0.068 6.269 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.570 2.575 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.135 0.787 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.549 2.071 3.477 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.040 2.400 6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.932 3.580 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.953 1.873 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.280 3.156 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.950 4.851 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.452 4.550 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.550 4.151 5.659 1.00 0.00 H new ATOM 612 N VAL A 46 -13.508 -0.349 4.235 1.00 0.00 N ATOM 613 CA VAL A 46 -14.263 -1.219 3.353 1.00 0.00 C ATOM 614 C VAL A 46 -15.424 -0.437 2.743 1.00 0.00 C ATOM 615 O VAL A 46 -16.222 0.183 3.455 1.00 0.00 O ATOM 616 CB VAL A 46 -14.744 -2.467 4.120 1.00 0.00 C ATOM 617 CG1 VAL A 46 -15.366 -3.485 3.156 1.00 0.00 C ATOM 618 CG2 VAL A 46 -13.579 -3.156 4.835 1.00 0.00 C ATOM 0 H VAL A 46 -13.494 -0.667 5.204 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.627 -1.567 2.539 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.482 -2.131 4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -15.700 -4.359 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.218 -3.032 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.623 -3.788 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.947 -4.033 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.833 -3.463 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.127 -2.463 5.545 1.00 0.00 H new ATOM 628 N GLY A 47 -15.508 -0.450 1.412 1.00 0.00 N ATOM 629 CA GLY A 47 -16.557 0.226 0.675 1.00 0.00 C ATOM 630 C GLY A 47 -16.488 1.753 0.706 1.00 0.00 C ATOM 631 O GLY A 47 -17.496 2.377 0.355 1.00 0.00 O ATOM 0 H GLY A 47 -14.839 -0.938 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.521 -0.103 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.521 -0.087 1.075 1.00 0.00 H new ATOM 635 N LYS A 48 -15.382 2.389 1.121 1.00 0.00 N ATOM 636 CA LYS A 48 -15.304 3.854 1.138 1.00 0.00 C ATOM 637 C LYS A 48 -14.033 4.377 0.492 1.00 0.00 C ATOM 638 O LYS A 48 -13.082 3.625 0.286 1.00 0.00 O ATOM 639 CB LYS A 48 -15.519 4.418 2.553 1.00 0.00 C ATOM 640 CG LYS A 48 -14.304 4.269 3.479 1.00 0.00 C ATOM 641 CD LYS A 48 -14.406 5.101 4.765 1.00 0.00 C ATOM 642 CE LYS A 48 -14.777 6.576 4.567 1.00 0.00 C ATOM 643 NZ LYS A 48 -13.966 7.282 3.551 1.00 0.00 N ATOM 0 H LYS A 48 -14.539 1.916 1.446 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.125 4.221 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.776 5.474 2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.372 3.914 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.187 3.218 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.406 4.563 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.149 4.641 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.450 5.051 5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.827 6.638 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.674 7.095 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.565 8.147 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.195 6.662 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.567 7.534 2.741 1.00 0.00 H new ATOM 657 N GLY A 49 -14.020 5.687 0.236 1.00 0.00 N ATOM 658 CA GLY A 49 -12.894 6.380 -0.360 1.00 0.00 C ATOM 659 C GLY A 49 -11.723 6.309 0.611 1.00 0.00 C ATOM 660 O GLY A 49 -11.884 6.654 1.795 1.00 0.00 O ATOM 0 H GLY A 49 -14.809 6.299 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.626 5.922 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.153 7.418 -0.568 1.00 0.00 H new ATOM 664 N PHE A 50 -10.569 5.858 0.136 1.00 0.00 N ATOM 665 CA PHE A 50 -9.352 5.711 0.918 1.00 0.00 C ATOM 666 C PHE A 50 -8.132 6.023 0.051 1.00 0.00 C ATOM 667 O PHE A 50 -8.256 6.270 -1.148 1.00 0.00 O ATOM 668 CB PHE A 50 -9.291 4.315 1.551 1.00 0.00 C ATOM 669 CG PHE A 50 -8.862 3.200 0.622 1.00 0.00 C ATOM 670 CD1 PHE A 50 -9.667 2.855 -0.478 1.00 0.00 C ATOM 671 CD2 PHE A 50 -7.638 2.532 0.831 1.00 0.00 C ATOM 672 CE1 PHE A 50 -9.228 1.895 -1.397 1.00 0.00 C ATOM 673 CE2 PHE A 50 -7.247 1.505 -0.045 1.00 0.00 C ATOM 674 CZ PHE A 50 -8.024 1.213 -1.178 1.00 0.00 C ATOM 0 H PHE A 50 -10.453 5.575 -0.837 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.353 6.428 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.602 4.347 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.275 4.073 1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.626 3.332 -0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.004 2.808 1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.818 1.680 -2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.348 0.940 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.693 0.462 -1.881 1.00 0.00 H new ATOM 684 N LEU A 51 -6.967 6.097 0.689 1.00 0.00 N ATOM 685 CA LEU A 51 -5.683 6.395 0.083 1.00 0.00 C ATOM 686 C LEU A 51 -4.723 5.240 0.349 1.00 0.00 C ATOM 687 O LEU A 51 -4.878 4.519 1.342 1.00 0.00 O ATOM 688 CB LEU A 51 -5.111 7.660 0.748 1.00 0.00 C ATOM 689 CG LEU A 51 -5.565 9.003 0.148 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.082 9.183 0.081 1.00 0.00 C ATOM 691 CD2 LEU A 51 -4.963 10.154 0.965 1.00 0.00 C ATOM 0 H LEU A 51 -6.895 5.942 1.695 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.804 6.543 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.383 7.646 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.023 7.612 0.698 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.208 9.008 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.314 10.155 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.515 8.396 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.500 9.126 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.283 11.106 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.303 10.083 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.875 10.091 0.936 1.00 0.00 H new ATOM 703 N THR A 52 -3.714 5.126 -0.510 1.00 0.00 N ATOM 704 CA THR A 52 -2.666 4.126 -0.439 1.00 0.00 C ATOM 705 C THR A 52 -1.375 4.872 -0.751 1.00 0.00 C ATOM 706 O THR A 52 -1.086 5.140 -1.921 1.00 0.00 O ATOM 707 CB THR A 52 -2.930 2.977 -1.435 1.00 0.00 C ATOM 708 OG1 THR A 52 -3.332 3.448 -2.714 1.00 0.00 O ATOM 709 CG2 THR A 52 -4.015 2.029 -0.946 1.00 0.00 C ATOM 0 H THR A 52 -3.605 5.756 -1.305 1.00 0.00 H new ATOM 0 HA THR A 52 -2.616 3.652 0.541 1.00 0.00 H new ATOM 0 HB THR A 52 -1.977 2.454 -1.512 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.772 4.209 -2.973 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.165 1.238 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.713 1.589 0.005 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.946 2.580 -0.811 1.00 0.00 H new ATOM 717 N GLN A 53 -0.587 5.177 0.276 1.00 0.00 N ATOM 718 CA GLN A 53 0.661 5.899 0.175 1.00 0.00 C ATOM 719 C GLN A 53 1.702 5.208 1.058 1.00 0.00 C ATOM 720 O GLN A 53 1.367 4.666 2.109 1.00 0.00 O ATOM 721 CB GLN A 53 0.381 7.359 0.583 1.00 0.00 C ATOM 722 CG GLN A 53 1.453 8.352 0.125 1.00 0.00 C ATOM 723 CD GLN A 53 1.697 8.316 -1.382 1.00 0.00 C ATOM 724 OE1 GLN A 53 0.762 8.299 -2.180 1.00 0.00 O ATOM 725 NE2 GLN A 53 2.944 8.251 -1.812 1.00 0.00 N ATOM 0 H GLN A 53 -0.816 4.914 1.235 1.00 0.00 H new ATOM 0 HA GLN A 53 1.066 5.904 -0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.581 7.663 0.170 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.292 7.411 1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.154 9.359 0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.387 8.135 0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.715 8.266 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.136 8.186 -2.812 1.00 0.00 H new ATOM 734 N ASN A 54 2.973 5.250 0.648 1.00 0.00 N ATOM 735 CA ASN A 54 4.138 4.651 1.323 1.00 0.00 C ATOM 736 C ASN A 54 3.981 3.172 1.651 1.00 0.00 C ATOM 737 O ASN A 54 4.682 2.635 2.507 1.00 0.00 O ATOM 738 CB ASN A 54 4.610 5.487 2.515 1.00 0.00 C ATOM 739 CG ASN A 54 5.277 6.723 1.964 1.00 0.00 C ATOM 740 OD1 ASN A 54 4.525 7.793 1.864 1.00 0.00 O flip ATOM 741 ND2 ASN A 54 6.427 6.689 1.547 1.00 0.00 N flip ATOM 0 H ASN A 54 3.236 5.730 -0.213 1.00 0.00 H new ATOM 0 HA ASN A 54 4.942 4.676 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.768 5.757 3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.306 4.918 3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.980 5.837 1.644 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.833 7.513 1.103 1.00 0.00 H new ATOM 748 N LYS A 55 3.109 2.498 0.904 1.00 0.00 N ATOM 749 CA LYS A 55 2.780 1.072 1.000 1.00 0.00 C ATOM 750 C LYS A 55 1.821 0.785 2.167 1.00 0.00 C ATOM 751 O LYS A 55 1.609 -0.370 2.530 1.00 0.00 O ATOM 752 CB LYS A 55 4.037 0.175 0.997 1.00 0.00 C ATOM 753 CG LYS A 55 4.997 0.457 -0.175 1.00 0.00 C ATOM 754 CD LYS A 55 6.430 -0.029 0.073 1.00 0.00 C ATOM 755 CE LYS A 55 7.305 0.984 0.826 1.00 0.00 C ATOM 756 NZ LYS A 55 7.024 1.084 2.274 1.00 0.00 N ATOM 0 H LYS A 55 2.577 2.961 0.167 1.00 0.00 H new ATOM 0 HA LYS A 55 2.237 0.804 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.573 0.313 1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.727 -0.869 0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.610 -0.023 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.015 1.529 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.396 -0.959 0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.897 -0.258 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.352 0.712 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.170 1.967 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.866 1.444 2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.228 1.735 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.780 0.144 2.646 1.00 0.00 H new ATOM 770 N GLU A 56 1.217 1.808 2.766 1.00 0.00 N ATOM 771 CA GLU A 56 0.277 1.683 3.876 1.00 0.00 C ATOM 772 C GLU A 56 -1.148 1.937 3.368 1.00 0.00 C ATOM 773 O GLU A 56 -1.344 2.218 2.181 1.00 0.00 O ATOM 774 CB GLU A 56 0.697 2.656 4.985 1.00 0.00 C ATOM 775 CG GLU A 56 2.097 2.359 5.548 1.00 0.00 C ATOM 776 CD GLU A 56 2.222 0.979 6.202 1.00 0.00 C ATOM 777 OE1 GLU A 56 1.200 0.324 6.513 1.00 0.00 O ATOM 778 OE2 GLU A 56 3.363 0.539 6.475 1.00 0.00 O ATOM 0 H GLU A 56 1.373 2.776 2.484 1.00 0.00 H new ATOM 0 HA GLU A 56 0.290 0.677 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.677 3.673 4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.031 2.611 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.826 2.436 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.352 3.123 6.282 1.00 0.00 H new ATOM 785 N ILE A 57 -2.149 1.898 4.253 1.00 0.00 N ATOM 786 CA ILE A 57 -3.570 2.105 3.949 1.00 0.00 C ATOM 787 C ILE A 57 -4.120 3.165 4.908 1.00 0.00 C ATOM 788 O ILE A 57 -4.077 2.986 6.130 1.00 0.00 O ATOM 789 CB ILE A 57 -4.320 0.745 4.016 1.00 0.00 C ATOM 790 CG1 ILE A 57 -4.024 -0.084 5.300 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.976 -0.048 2.744 1.00 0.00 C ATOM 792 CD1 ILE A 57 -4.517 -1.540 5.300 1.00 0.00 C ATOM 0 H ILE A 57 -1.985 1.714 5.243 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.716 2.479 2.936 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.389 0.952 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.946 -0.088 5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.474 0.429 6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.490 -1.009 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.294 0.515 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.900 -0.213 2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.253 -2.014 6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.600 -1.558 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.049 -2.083 4.479 1.00 0.00 H new ATOM 804 N PHE A 58 -4.673 4.275 4.397 1.00 0.00 N ATOM 805 CA PHE A 58 -5.188 5.342 5.258 1.00 0.00 C ATOM 806 C PHE A 58 -6.515 5.937 4.812 1.00 0.00 C ATOM 807 O PHE A 58 -6.932 5.858 3.660 1.00 0.00 O ATOM 808 CB PHE A 58 -4.164 6.489 5.347 1.00 0.00 C ATOM 809 CG PHE A 58 -2.788 6.116 5.868 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.638 5.424 7.087 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.650 6.427 5.103 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.364 5.006 7.510 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.376 6.033 5.542 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.233 5.325 6.745 1.00 0.00 C ATOM 0 H PHE A 58 -4.773 4.454 3.398 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.357 4.864 6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.049 6.924 4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.575 7.267 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.504 5.214 7.697 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.756 6.970 4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.257 4.440 8.423 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.496 6.275 4.953 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.749 5.026 7.082 1.00 0.00 H new ATOM 824 N CYS A 59 -7.217 6.536 5.785 1.00 0.00 N ATOM 825 CA CYS A 59 -8.487 7.197 5.516 1.00 0.00 C ATOM 826 C CYS A 59 -8.058 8.495 4.805 1.00 0.00 C ATOM 827 O CYS A 59 -6.981 9.009 5.129 1.00 0.00 O ATOM 828 CB CYS A 59 -9.279 7.537 6.813 1.00 0.00 C ATOM 829 SG CYS A 59 -8.990 9.173 7.490 1.00 0.00 S ATOM 0 H CYS A 59 -6.921 6.572 6.761 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.157 6.563 4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.344 7.432 6.605 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.028 6.799 7.575 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.707 9.332 8.563 1.00 0.00 H new ATOM 834 N GLN A 60 -8.928 9.100 3.991 1.00 0.00 N ATOM 835 CA GLN A 60 -8.626 10.340 3.272 1.00 0.00 C ATOM 836 C GLN A 60 -7.994 11.386 4.195 1.00 0.00 C ATOM 837 O GLN A 60 -6.889 11.840 3.931 1.00 0.00 O ATOM 838 CB GLN A 60 -9.900 10.850 2.588 1.00 0.00 C ATOM 839 CG GLN A 60 -9.632 11.778 1.397 1.00 0.00 C ATOM 840 CD GLN A 60 -10.926 12.487 1.003 1.00 0.00 C ATOM 841 OE1 GLN A 60 -11.901 11.825 0.645 1.00 0.00 O ATOM 842 NE2 GLN A 60 -10.995 13.800 1.115 1.00 0.00 N ATOM 0 H GLN A 60 -9.866 8.741 3.812 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.882 10.139 2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.485 9.996 2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.508 11.381 3.321 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.868 12.511 1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.248 11.204 0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.176 14.330 1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.867 14.285 0.904 1.00 0.00 H new ATOM 851 N LYS A 61 -8.631 11.692 5.331 1.00 0.00 N ATOM 852 CA LYS A 61 -8.131 12.668 6.301 1.00 0.00 C ATOM 853 C LYS A 61 -6.699 12.347 6.762 1.00 0.00 C ATOM 854 O LYS A 61 -5.810 13.167 6.576 1.00 0.00 O ATOM 855 CB LYS A 61 -9.088 12.797 7.497 1.00 0.00 C ATOM 856 CG LYS A 61 -10.531 13.205 7.166 1.00 0.00 C ATOM 857 CD LYS A 61 -11.539 12.057 7.021 1.00 0.00 C ATOM 858 CE LYS A 61 -12.949 12.583 6.718 1.00 0.00 C ATOM 859 NZ LYS A 61 -13.525 13.485 7.743 1.00 0.00 N ATOM 0 H LYS A 61 -9.516 11.264 5.604 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.091 13.633 5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.113 11.842 8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.675 13.530 8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.886 13.877 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.522 13.774 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.219 11.389 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.558 11.470 7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.924 13.112 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.617 11.731 6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.517 13.690 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.478 13.026 8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.984 14.373 7.767 1.00 0.00 H new ATOM 873 N CYS A 62 -6.466 11.158 7.341 1.00 0.00 N ATOM 874 CA CYS A 62 -5.144 10.727 7.819 1.00 0.00 C ATOM 875 C CYS A 62 -4.056 10.739 6.728 1.00 0.00 C ATOM 876 O CYS A 62 -2.884 10.786 7.093 1.00 0.00 O ATOM 877 CB CYS A 62 -5.162 9.364 8.573 1.00 0.00 C ATOM 878 SG CYS A 62 -5.378 9.406 10.361 1.00 0.00 S ATOM 0 H CYS A 62 -7.197 10.463 7.491 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.872 11.490 8.549 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.963 8.757 8.152 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.226 8.849 8.359 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.351 8.194 10.830 1.00 0.00 H new ATOM 883 N GLY A 63 -4.397 10.659 5.435 1.00 0.00 N ATOM 884 CA GLY A 63 -3.402 10.684 4.361 1.00 0.00 C ATOM 885 C GLY A 63 -3.274 12.069 3.717 1.00 0.00 C ATOM 886 O GLY A 63 -2.233 12.388 3.147 1.00 0.00 O ATOM 0 H GLY A 63 -5.360 10.576 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.434 10.380 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.676 9.955 3.598 1.00 0.00 H new ATOM 890 N SER A 64 -4.312 12.900 3.799 1.00 0.00 N ATOM 891 CA SER A 64 -4.354 14.240 3.251 1.00 0.00 C ATOM 892 C SER A 64 -3.771 15.175 4.311 1.00 0.00 C ATOM 893 O SER A 64 -4.480 15.707 5.173 1.00 0.00 O ATOM 894 CB SER A 64 -5.798 14.573 2.852 1.00 0.00 C ATOM 895 OG SER A 64 -5.887 15.827 2.207 1.00 0.00 O ATOM 0 H SER A 64 -5.179 12.640 4.270 1.00 0.00 H new ATOM 0 HA SER A 64 -3.761 14.348 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.181 13.796 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.430 14.575 3.740 1.00 0.00 H new ATOM 0 HG SER A 64 -6.820 16.005 1.966 1.00 0.00 H new ATOM 901 N GLY A 65 -2.457 15.368 4.273 1.00 0.00 N ATOM 902 CA GLY A 65 -1.790 16.240 5.213 1.00 0.00 C ATOM 903 C GLY A 65 -0.297 16.174 5.017 1.00 0.00 C ATOM 904 O GLY A 65 0.342 15.298 5.603 1.00 0.00 O ATOM 0 H GLY A 65 -1.836 14.926 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.137 17.265 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.043 15.949 6.232 1.00 0.00 H new ATOM 908 N MET A 66 0.240 16.998 4.118 1.00 0.00 N ATOM 909 CA MET A 66 1.672 17.037 3.872 1.00 0.00 C ATOM 910 C MET A 66 2.257 17.849 5.020 1.00 0.00 C ATOM 911 O MET A 66 2.332 19.078 4.946 1.00 0.00 O ATOM 912 CB MET A 66 2.014 17.661 2.514 1.00 0.00 C ATOM 913 CG MET A 66 1.410 16.910 1.331 1.00 0.00 C ATOM 914 SD MET A 66 1.840 15.156 1.201 1.00 0.00 S ATOM 915 CE MET A 66 1.677 14.969 -0.588 1.00 0.00 C ATOM 0 H MET A 66 -0.302 17.648 3.548 1.00 0.00 H new ATOM 0 HA MET A 66 2.089 16.031 3.831 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.662 18.692 2.498 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.098 17.692 2.400 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.325 16.994 1.388 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.720 17.409 0.413 1.00 0.00 H new ATOM 0 HE1 MET A 66 1.905 13.941 -0.869 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.657 15.209 -0.887 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.371 15.644 -1.089 1.00 0.00 H new ATOM 925 N ASP A 67 2.605 17.170 6.108 1.00 0.00 N ATOM 926 CA ASP A 67 3.181 17.787 7.296 1.00 0.00 C ATOM 927 C ASP A 67 4.664 17.967 6.972 1.00 0.00 C ATOM 928 O ASP A 67 5.530 17.240 7.468 1.00 0.00 O ATOM 929 CB ASP A 67 2.938 16.922 8.546 1.00 0.00 C ATOM 930 CG ASP A 67 1.471 16.554 8.782 1.00 0.00 C ATOM 931 OD1 ASP A 67 0.548 17.364 8.527 1.00 0.00 O ATOM 932 OD2 ASP A 67 1.213 15.400 9.192 1.00 0.00 O ATOM 0 H ASP A 67 2.493 16.160 6.190 1.00 0.00 H new ATOM 0 HA ASP A 67 2.720 18.746 7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.521 16.005 8.458 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.312 17.455 9.420 1.00 0.00 H new ATOM 937 N THR A 68 4.960 18.910 6.080 1.00 0.00 N ATOM 938 CA THR A 68 6.298 19.219 5.617 1.00 0.00 C ATOM 939 C THR A 68 6.586 20.709 5.738 1.00 0.00 C ATOM 940 O THR A 68 6.665 21.451 4.758 1.00 0.00 O ATOM 941 CB THR A 68 6.548 18.625 4.217 1.00 0.00 C ATOM 942 OG1 THR A 68 5.437 18.756 3.344 1.00 0.00 O ATOM 943 CG2 THR A 68 6.849 17.132 4.340 1.00 0.00 C ATOM 0 H THR A 68 4.245 19.496 5.649 1.00 0.00 H new ATOM 0 HA THR A 68 7.027 18.734 6.266 1.00 0.00 H new ATOM 0 HB THR A 68 7.385 19.184 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.657 18.363 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.025 16.714 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.736 16.989 4.957 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.001 16.627 4.801 1.00 0.00 H new ATOM 951 N ASP A 69 6.740 21.151 6.985 1.00 0.00 N ATOM 952 CA ASP A 69 7.074 22.540 7.299 1.00 0.00 C ATOM 953 C ASP A 69 8.587 22.733 7.138 1.00 0.00 C ATOM 954 O ASP A 69 9.077 23.863 7.168 1.00 0.00 O ATOM 955 CB ASP A 69 6.664 22.882 8.734 1.00 0.00 C ATOM 956 CG ASP A 69 5.152 22.895 8.871 1.00 0.00 C ATOM 957 OD1 ASP A 69 4.544 23.945 8.565 1.00 0.00 O ATOM 958 OD2 ASP A 69 4.586 21.835 9.214 1.00 0.00 O ATOM 0 H ASP A 69 6.637 20.556 7.807 1.00 0.00 H new ATOM 0 HA ASP A 69 6.535 23.200 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.090 22.153 9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.068 23.856 9.011 1.00 0.00 H new ATOM 963 N ILE A 70 9.314 21.620 6.999 1.00 0.00 N ATOM 964 CA ILE A 70 10.747 21.473 6.823 1.00 0.00 C ATOM 965 C ILE A 70 11.089 22.059 5.455 1.00 0.00 C ATOM 966 O ILE A 70 10.984 21.374 4.430 1.00 0.00 O ATOM 967 CB ILE A 70 11.153 19.983 6.969 1.00 0.00 C ATOM 968 CG1 ILE A 70 10.648 19.372 8.302 1.00 0.00 C ATOM 969 CG2 ILE A 70 12.682 19.841 6.850 1.00 0.00 C ATOM 970 CD1 ILE A 70 10.893 17.862 8.420 1.00 0.00 C ATOM 0 H ILE A 70 8.856 20.708 7.009 1.00 0.00 H new ATOM 0 HA ILE A 70 11.311 22.007 7.588 1.00 0.00 H new ATOM 0 HB ILE A 70 10.677 19.426 6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.141 19.877 9.133 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.580 19.567 8.399 1.00 0.00 H new ATOM 0 HG21 ILE A 70 12.959 18.792 6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.007 20.208 5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.164 20.423 7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.514 17.506 9.378 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.377 17.345 7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.962 17.661 8.356 1.00 0.00 H new ATOM 982 N SER A 71 11.442 23.340 5.437 1.00 0.00 N ATOM 983 CA SER A 71 11.808 24.078 4.246 1.00 0.00 C ATOM 984 C SER A 71 12.795 25.179 4.638 1.00 0.00 C ATOM 985 O SER A 71 12.925 25.544 5.815 1.00 0.00 O ATOM 986 CB SER A 71 10.535 24.636 3.596 1.00 0.00 C ATOM 987 OG SER A 71 10.753 25.040 2.253 1.00 0.00 O ATOM 0 H SER A 71 11.481 23.907 6.284 1.00 0.00 H new ATOM 0 HA SER A 71 12.297 23.436 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.753 23.878 3.623 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.175 25.486 4.176 1.00 0.00 H new ATOM 0 HG SER A 71 9.918 25.387 1.876 1.00 0.00 H new ATOM 993 N GLY A 72 13.451 25.731 3.621 1.00 0.00 N ATOM 994 CA GLY A 72 14.448 26.784 3.681 1.00 0.00 C ATOM 995 C GLY A 72 15.411 26.588 2.511 1.00 0.00 C ATOM 996 O GLY A 72 16.568 26.244 2.742 1.00 0.00 O ATOM 0 H GLY A 72 13.283 25.427 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.972 27.763 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.986 26.746 4.628 1.00 0.00 H new ATOM 1000 N PRO A 73 14.944 26.729 1.256 1.00 0.00 N ATOM 1001 CA PRO A 73 15.788 26.551 0.083 1.00 0.00 C ATOM 1002 C PRO A 73 16.812 27.684 -0.053 1.00 0.00 C ATOM 1003 O PRO A 73 16.698 28.740 0.571 1.00 0.00 O ATOM 1004 CB PRO A 73 14.818 26.516 -1.102 1.00 0.00 C ATOM 1005 CG PRO A 73 13.675 27.417 -0.638 1.00 0.00 C ATOM 1006 CD PRO A 73 13.600 27.128 0.860 1.00 0.00 C ATOM 0 HA PRO A 73 16.381 25.639 0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.282 26.890 -2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.474 25.503 -1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.883 28.468 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.740 27.176 -1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.275 28.010 1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.880 26.337 1.070 1.00 0.00 H new ATOM 1014 N SER A 74 17.795 27.472 -0.924 1.00 0.00 N ATOM 1015 CA SER A 74 18.872 28.397 -1.228 1.00 0.00 C ATOM 1016 C SER A 74 19.205 28.276 -2.715 1.00 0.00 C ATOM 1017 O SER A 74 18.579 27.488 -3.429 1.00 0.00 O ATOM 1018 CB SER A 74 20.085 28.019 -0.360 1.00 0.00 C ATOM 1019 OG SER A 74 20.513 26.687 -0.606 1.00 0.00 O ATOM 0 H SER A 74 17.861 26.607 -1.461 1.00 0.00 H new ATOM 0 HA SER A 74 18.589 29.428 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.905 28.708 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 74 19.827 28.130 0.693 1.00 0.00 H new ATOM 0 HG SER A 74 21.286 26.482 -0.039 1.00 0.00 H new ATOM 1025 N SER A 75 20.151 29.090 -3.187 1.00 0.00 N ATOM 1026 CA SER A 75 20.594 29.031 -4.570 1.00 0.00 C ATOM 1027 C SER A 75 21.565 27.847 -4.679 1.00 0.00 C ATOM 1028 O SER A 75 21.813 27.099 -3.723 1.00 0.00 O ATOM 1029 CB SER A 75 21.301 30.351 -4.957 1.00 0.00 C ATOM 1030 OG SER A 75 21.435 30.529 -6.361 1.00 0.00 O ATOM 0 H SER A 75 20.623 29.798 -2.625 1.00 0.00 H new ATOM 0 HA SER A 75 19.750 28.899 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.740 31.189 -4.544 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.290 30.372 -4.499 1.00 0.00 H new ATOM 0 HG SER A 75 21.887 31.380 -6.541 1.00 0.00 H new ATOM 1036 N GLY A 76 22.068 27.708 -5.890 1.00 0.00 N ATOM 1037 CA GLY A 76 23.032 26.804 -6.458 1.00 0.00 C ATOM 1038 C GLY A 76 23.779 27.672 -7.474 1.00 0.00 C ATOM 1039 O GLY A 76 23.443 28.886 -7.560 1.00 0.00 O ATOM 0 H GLY A 76 21.745 28.345 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.705 26.405 -5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 76 22.550 25.951 -6.936 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -8.701 -9.722 11.801 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -8.164 8.163 10.201 1.00 0.00 ZN