USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1027 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 117 SER OG : rot 75:sc= 1.3 USER MOD Set 1.2: A 120 SER OG : rot -170:sc= -0.412 USER MOD Set 1.3: A 130 HIS : no HE2:sc= -10.4! C(o=-9.5!,f=-9.3!) USER MOD Set 2.1: A 107 ASN :FLIP amide:sc= -6.32! C(o=-11!,f=-8.6!) USER MOD Set 2.2: A 109 THR OG1 : rot 37:sc= -2.25! USER MOD Set 3.1: A 74 HIS : no HE2:sc= -5.94! C(o=-7.6!,f=-9.4!) USER MOD Set 3.2: A 97 GLN : amide:sc= -1.7 K(o=-7.6,f=-11!) USER MOD Set 4.1: A 65 ASN : amide:sc= 0 X(o=-5,f=-5.1) USER MOD Set 4.2: A 69 ASN :FLIP amide:sc= -5.03! C(o=-6.2!,f=-5!) USER MOD Set 5.1: A 8 HIS : no HE2:sc= -2.27 K(o=-2.1,f=-3) USER MOD Set 5.2: A 34 THR OG1 : rot 62:sc= 0.211 USER MOD Set 6.1: A 6 SER OG : rot -35:sc= 1.24 USER MOD Set 6.2: A 125 THR OG1 : rot 62:sc= 0.448 USER MOD Set 7.1: A 5 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Set 7.2: A 13 GLN :FLIP amide:sc= -0.057 F(o=-2!,f=-0.057) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -115:sc= -2.02 (180deg=-2.55!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc=4.78e-05 USER MOD Single : A 22 SER OG : rot 81:sc= 1.11 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.148) USER MOD Single : A 35 GLN : amide:sc= -7.9! C(o=-7.9!,f=-10!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 46 ASN : amide:sc= -0.526 K(o=-0.53,f=-1.5) USER MOD Single : A 53 THR OG1 : rot 160:sc= -3.21 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 137:sc= -2.07! (180deg=-4.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.134 F(o=-1.7!,f=-0.13) USER MOD Single : A 73 TYR OH : rot -83:sc= 0.803 USER MOD Single : A 76 THR OG1 : rot -68:sc= 0.156 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -71:sc= -0.144 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= 1.1 F(o=-0.087,f=1.1) USER MOD Single : A 116 LYS NZ :NH3+ -161:sc= -2.09 (180deg=-2.66!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -176:sc= 0 (180deg=-0.000471) USER MOD Single : A 124 THR OG1 : rot 19:sc= -1.88! USER MOD Single : A 126 ASN :FLIP amide:sc= -11.5! C(o=-12!,f=-11!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 5 -14.145 9.992 3.638 1.00 0.00 N ATOM 51 CA LYS A 5 -13.960 9.136 2.474 1.00 0.00 C ATOM 52 C LYS A 5 -13.320 7.813 2.879 1.00 0.00 C ATOM 53 O LYS A 5 -12.427 7.775 3.725 1.00 0.00 O ATOM 54 CB LYS A 5 -13.071 9.843 1.447 1.00 0.00 C ATOM 55 CG LYS A 5 -13.949 10.596 0.443 1.00 0.00 C ATOM 56 CD LYS A 5 -13.063 11.309 -0.581 1.00 0.00 C ATOM 57 CE LYS A 5 -13.753 12.592 -1.048 1.00 0.00 C ATOM 58 NZ LYS A 5 -12.939 13.234 -2.118 1.00 0.00 N ATOM 0 HA LYS A 5 -14.936 8.933 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.398 10.537 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.448 9.115 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.619 9.901 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.575 11.320 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.095 11.544 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.874 10.655 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.751 12.365 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.876 13.277 -0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.513 13.949 -2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.106 13.690 -1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.630 12.512 -2.799 1.00 0.00 H new ATOM 72 N SER A 6 -13.785 6.730 2.269 1.00 0.00 N ATOM 73 CA SER A 6 -13.250 5.410 2.571 1.00 0.00 C ATOM 74 C SER A 6 -12.115 5.075 1.614 1.00 0.00 C ATOM 75 O SER A 6 -11.828 5.837 0.689 1.00 0.00 O ATOM 76 CB SER A 6 -14.350 4.358 2.450 1.00 0.00 C ATOM 77 OG SER A 6 -15.437 4.720 3.292 1.00 0.00 O ATOM 0 H SER A 6 -14.526 6.739 1.568 1.00 0.00 H new ATOM 0 HA SER A 6 -12.868 5.413 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.685 4.282 1.416 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.966 3.378 2.733 1.00 0.00 H new ATOM 0 HG SER A 6 -15.093 5.142 4.107 1.00 0.00 H new ATOM 83 N LEU A 7 -11.462 3.944 1.849 1.00 0.00 N ATOM 84 CA LEU A 7 -10.351 3.541 0.998 1.00 0.00 C ATOM 85 C LEU A 7 -10.801 3.381 -0.447 1.00 0.00 C ATOM 86 O LEU A 7 -10.365 4.121 -1.329 1.00 0.00 O ATOM 87 CB LEU A 7 -9.783 2.202 1.484 1.00 0.00 C ATOM 88 CG LEU A 7 -8.277 2.327 1.766 1.00 0.00 C ATOM 89 CD1 LEU A 7 -7.765 1.072 2.488 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.524 2.469 0.437 1.00 0.00 C ATOM 0 H LEU A 7 -11.678 3.299 2.609 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.589 4.318 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.303 1.886 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.956 1.432 0.732 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.108 3.201 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.697 1.174 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.295 0.954 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.938 0.196 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.455 2.558 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.708 1.590 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.873 3.360 -0.085 1.00 0.00 H new ATOM 102 N HIS A 8 -11.681 2.416 -0.686 1.00 0.00 N ATOM 103 CA HIS A 8 -12.175 2.172 -2.035 1.00 0.00 C ATOM 104 C HIS A 8 -12.675 3.464 -2.657 1.00 0.00 C ATOM 105 O HIS A 8 -12.429 3.732 -3.830 1.00 0.00 O ATOM 106 CB HIS A 8 -13.303 1.145 -2.009 1.00 0.00 C ATOM 107 CG HIS A 8 -14.218 1.430 -0.849 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.298 2.292 -0.954 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.226 0.974 0.446 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.905 2.328 0.246 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.293 1.543 1.135 1.00 0.00 N ATOM 0 H HIS A 8 -12.064 1.796 0.028 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.353 1.783 -2.636 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.862 1.181 -2.944 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.891 0.140 -1.922 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -15.581 2.805 -1.789 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.513 0.280 0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.781 2.920 0.464 1.00 0.00 H new ATOM 120 N GLU A 9 -13.367 4.268 -1.864 1.00 0.00 N ATOM 121 CA GLU A 9 -13.888 5.538 -2.352 1.00 0.00 C ATOM 122 C GLU A 9 -12.805 6.293 -3.121 1.00 0.00 C ATOM 123 O GLU A 9 -12.986 6.644 -4.290 1.00 0.00 O ATOM 124 CB GLU A 9 -14.370 6.387 -1.174 1.00 0.00 C ATOM 125 CG GLU A 9 -15.898 6.472 -1.192 1.00 0.00 C ATOM 126 CD GLU A 9 -16.361 7.282 -2.398 1.00 0.00 C ATOM 127 OE1 GLU A 9 -15.766 8.314 -2.657 1.00 0.00 O ATOM 128 OE2 GLU A 9 -17.303 6.856 -3.047 1.00 0.00 O ATOM 0 H GLU A 9 -13.580 4.067 -0.887 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.725 5.340 -3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.031 5.949 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.940 7.387 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.326 5.470 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.256 6.936 -0.273 1.00 0.00 H new ATOM 135 N LYS A 10 -11.680 6.535 -2.457 1.00 0.00 N ATOM 136 CA LYS A 10 -10.572 7.246 -3.085 1.00 0.00 C ATOM 137 C LYS A 10 -10.070 6.490 -4.314 1.00 0.00 C ATOM 138 O LYS A 10 -9.906 7.074 -5.386 1.00 0.00 O ATOM 139 CB LYS A 10 -9.424 7.416 -2.089 1.00 0.00 C ATOM 140 CG LYS A 10 -8.426 8.442 -2.632 1.00 0.00 C ATOM 141 CD LYS A 10 -8.695 9.804 -1.987 1.00 0.00 C ATOM 142 CE LYS A 10 -7.743 10.850 -2.572 1.00 0.00 C ATOM 143 NZ LYS A 10 -8.342 12.205 -2.413 1.00 0.00 N ATOM 0 H LYS A 10 -11.511 6.252 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.932 8.226 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.811 7.744 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.926 6.460 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.406 8.122 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.517 8.516 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.729 10.102 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.560 9.739 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.779 10.804 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.560 10.642 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.697 12.918 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.252 12.243 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.495 12.400 -1.403 1.00 0.00 H new ATOM 157 N LEU A 11 -9.823 5.193 -4.154 1.00 0.00 N ATOM 158 CA LEU A 11 -9.332 4.378 -5.266 1.00 0.00 C ATOM 159 C LEU A 11 -10.395 4.240 -6.348 1.00 0.00 C ATOM 160 O LEU A 11 -10.088 3.914 -7.496 1.00 0.00 O ATOM 161 CB LEU A 11 -8.935 2.987 -4.769 1.00 0.00 C ATOM 162 CG LEU A 11 -8.087 3.120 -3.506 1.00 0.00 C ATOM 163 CD1 LEU A 11 -7.616 1.739 -3.049 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.873 4.007 -3.794 1.00 0.00 C ATOM 0 H LEU A 11 -9.952 4.687 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.460 4.877 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.827 2.396 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.376 2.459 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.688 3.572 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.012 1.841 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.481 1.111 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.019 1.279 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.269 4.101 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.274 3.558 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.210 4.994 -4.109 1.00 0.00 H new ATOM 176 N LYS A 12 -11.648 4.476 -5.976 1.00 0.00 N ATOM 177 CA LYS A 12 -12.747 4.358 -6.923 1.00 0.00 C ATOM 178 C LYS A 12 -12.802 5.570 -7.845 1.00 0.00 C ATOM 179 O LYS A 12 -13.016 5.433 -9.050 1.00 0.00 O ATOM 180 CB LYS A 12 -14.077 4.216 -6.178 1.00 0.00 C ATOM 181 CG LYS A 12 -14.381 2.741 -5.921 1.00 0.00 C ATOM 182 CD LYS A 12 -15.434 2.620 -4.815 1.00 0.00 C ATOM 183 CE LYS A 12 -16.734 3.295 -5.262 1.00 0.00 C ATOM 184 NZ LYS A 12 -16.696 4.741 -4.902 1.00 0.00 N ATOM 0 H LYS A 12 -11.925 4.748 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.577 3.467 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.032 4.756 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.880 4.664 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.742 2.269 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.471 2.217 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.618 1.570 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.068 3.085 -3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.863 3.181 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.588 2.814 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.432 4.942 -4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.763 4.976 -4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.867 5.315 -5.752 1.00 0.00 H new ATOM 198 N GLN A 13 -12.612 6.751 -7.276 1.00 0.00 N ATOM 199 CA GLN A 13 -12.650 7.973 -8.064 1.00 0.00 C ATOM 200 C GLN A 13 -11.301 8.234 -8.731 1.00 0.00 C ATOM 201 O GLN A 13 -11.217 8.973 -9.713 1.00 0.00 O ATOM 202 CB GLN A 13 -13.013 9.152 -7.165 1.00 0.00 C ATOM 203 CG GLN A 13 -11.979 9.284 -6.050 1.00 0.00 C ATOM 204 CD GLN A 13 -12.411 10.368 -5.071 1.00 0.00 C ATOM 205 OE1 GLN A 13 -12.697 10.046 -3.841 1.00 0.00 O flip ATOM 206 NE2 GLN A 13 -12.494 11.540 -5.439 1.00 0.00 N flip ATOM 0 H GLN A 13 -12.432 6.889 -6.282 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.404 7.857 -8.843 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.050 10.071 -7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.005 9.005 -6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.870 8.333 -5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.005 9.530 -6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.270 11.789 -6.402 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.787 12.262 -4.781 1.00 0.00 H new ATOM 215 N ASP A 14 -10.249 7.629 -8.188 1.00 0.00 N ATOM 216 CA ASP A 14 -8.908 7.808 -8.734 1.00 0.00 C ATOM 217 C ASP A 14 -8.646 6.826 -9.876 1.00 0.00 C ATOM 218 O ASP A 14 -8.608 5.611 -9.674 1.00 0.00 O ATOM 219 CB ASP A 14 -7.875 7.596 -7.632 1.00 0.00 C ATOM 220 CG ASP A 14 -7.730 8.867 -6.802 1.00 0.00 C ATOM 221 OD1 ASP A 14 -8.664 9.653 -6.790 1.00 0.00 O ATOM 222 OD2 ASP A 14 -6.688 9.037 -6.191 1.00 0.00 O ATOM 0 H ASP A 14 -10.298 7.014 -7.376 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.829 8.822 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.178 6.767 -6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.914 7.326 -8.070 1.00 0.00 H new ATOM 227 N LYS A 15 -8.458 7.360 -11.079 1.00 0.00 N ATOM 228 CA LYS A 15 -8.195 6.522 -12.243 1.00 0.00 C ATOM 229 C LYS A 15 -6.771 5.968 -12.193 1.00 0.00 C ATOM 230 O LYS A 15 -6.417 5.070 -12.957 1.00 0.00 O ATOM 231 CB LYS A 15 -8.383 7.335 -13.523 1.00 0.00 C ATOM 232 CG LYS A 15 -9.856 7.710 -13.678 1.00 0.00 C ATOM 233 CD LYS A 15 -9.961 9.150 -14.179 1.00 0.00 C ATOM 234 CE LYS A 15 -11.393 9.437 -14.632 1.00 0.00 C ATOM 235 NZ LYS A 15 -11.858 10.719 -14.030 1.00 0.00 N ATOM 0 H LYS A 15 -8.483 8.361 -11.272 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.898 5.689 -12.235 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.770 8.235 -13.488 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.051 6.757 -14.385 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.344 7.033 -14.379 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.372 7.606 -12.723 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.675 9.842 -13.387 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.269 9.308 -15.006 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.437 9.497 -15.719 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.051 8.622 -14.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.832 10.914 -14.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.831 10.645 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.236 11.493 -14.338 1.00 0.00 H new ATOM 249 N ARG A 16 -5.964 6.513 -11.289 1.00 0.00 N ATOM 250 CA ARG A 16 -4.578 6.075 -11.142 1.00 0.00 C ATOM 251 C ARG A 16 -4.517 4.719 -10.449 1.00 0.00 C ATOM 252 O ARG A 16 -3.597 3.934 -10.684 1.00 0.00 O ATOM 253 CB ARG A 16 -3.790 7.104 -10.330 1.00 0.00 C ATOM 254 CG ARG A 16 -4.269 8.514 -10.685 1.00 0.00 C ATOM 255 CD ARG A 16 -3.394 9.543 -9.972 1.00 0.00 C ATOM 256 NE ARG A 16 -2.631 10.316 -10.944 1.00 0.00 N ATOM 257 CZ ARG A 16 -2.079 11.477 -10.615 1.00 0.00 C ATOM 258 NH1 ARG A 16 -2.220 11.947 -9.406 1.00 0.00 N ATOM 259 NH2 ARG A 16 -1.393 12.149 -11.499 1.00 0.00 N ATOM 0 H ARG A 16 -6.243 7.256 -10.649 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.137 5.982 -12.134 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.924 6.921 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.724 7.008 -10.538 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.221 8.665 -11.763 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.311 8.641 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.017 10.209 -9.375 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.715 9.039 -9.284 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.520 9.959 -11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.754 11.422 -8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.796 12.839 -9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.281 11.782 -12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.969 13.041 -11.245 1.00 0.00 H new ATOM 273 N PHE A 17 -5.498 4.455 -9.588 1.00 0.00 N ATOM 274 CA PHE A 17 -5.544 3.193 -8.856 1.00 0.00 C ATOM 275 C PHE A 17 -6.707 2.322 -9.323 1.00 0.00 C ATOM 276 O PHE A 17 -6.815 1.167 -8.934 1.00 0.00 O ATOM 277 CB PHE A 17 -5.673 3.470 -7.356 1.00 0.00 C ATOM 278 CG PHE A 17 -4.686 4.545 -6.944 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.322 4.402 -7.239 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.135 5.683 -6.259 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.413 5.392 -6.848 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.225 6.673 -5.871 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.864 6.528 -6.165 1.00 0.00 C ATOM 0 H PHE A 17 -6.266 5.094 -9.382 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.618 2.653 -9.052 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.689 3.788 -7.122 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.486 2.557 -6.791 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.973 3.528 -7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.185 5.796 -6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.363 5.279 -7.073 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.573 7.549 -5.344 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.162 7.292 -5.865 1.00 0.00 H new ATOM 293 N SER A 18 -7.566 2.876 -10.164 1.00 0.00 N ATOM 294 CA SER A 18 -8.711 2.128 -10.685 1.00 0.00 C ATOM 295 C SER A 18 -8.331 0.669 -10.956 1.00 0.00 C ATOM 296 O SER A 18 -9.107 -0.266 -10.687 1.00 0.00 O ATOM 297 CB SER A 18 -9.185 2.782 -11.983 1.00 0.00 C ATOM 298 OG SER A 18 -9.852 1.817 -12.784 1.00 0.00 O ATOM 0 H SER A 18 -7.497 3.836 -10.502 1.00 0.00 H new ATOM 0 HA SER A 18 -9.509 2.143 -9.943 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.856 3.612 -11.761 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.335 3.196 -12.526 1.00 0.00 H new ATOM 0 HG SER A 18 -10.157 2.237 -13.615 1.00 0.00 H new ATOM 304 N THR A 19 -7.120 0.480 -11.470 1.00 0.00 N ATOM 305 CA THR A 19 -6.640 -0.861 -11.762 1.00 0.00 C ATOM 306 C THR A 19 -6.790 -1.743 -10.534 1.00 0.00 C ATOM 307 O THR A 19 -7.259 -2.883 -10.623 1.00 0.00 O ATOM 308 CB THR A 19 -5.172 -0.816 -12.185 1.00 0.00 C ATOM 309 OG1 THR A 19 -5.005 0.143 -13.220 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.747 -2.194 -12.692 1.00 0.00 C ATOM 0 H THR A 19 -6.463 1.229 -11.690 1.00 0.00 H new ATOM 0 HA THR A 19 -7.232 -1.275 -12.578 1.00 0.00 H new ATOM 0 HB THR A 19 -4.556 -0.537 -11.330 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.063 0.173 -13.490 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.700 -2.164 -12.994 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.874 -2.929 -11.897 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.363 -2.473 -13.547 1.00 0.00 H new ATOM 318 N PHE A 20 -6.398 -1.203 -9.383 1.00 0.00 N ATOM 319 CA PHE A 20 -6.501 -1.950 -8.141 1.00 0.00 C ATOM 320 C PHE A 20 -7.921 -2.426 -7.931 1.00 0.00 C ATOM 321 O PHE A 20 -8.146 -3.576 -7.570 1.00 0.00 O ATOM 322 CB PHE A 20 -6.063 -1.092 -6.947 1.00 0.00 C ATOM 323 CG PHE A 20 -4.598 -1.329 -6.664 1.00 0.00 C ATOM 324 CD1 PHE A 20 -4.145 -1.346 -5.340 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.698 -1.549 -7.719 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.795 -1.589 -5.069 1.00 0.00 C ATOM 327 CE2 PHE A 20 -2.351 -1.789 -7.445 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.900 -1.812 -6.123 1.00 0.00 C ATOM 0 H PHE A 20 -6.012 -0.264 -9.288 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.839 -2.813 -8.212 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.237 -0.037 -7.161 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.659 -1.341 -6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.837 -1.172 -4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.048 -1.532 -8.741 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.443 -1.605 -4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.657 -1.957 -8.255 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.858 -2.002 -5.913 1.00 0.00 H new ATOM 338 N LEU A 21 -8.876 -1.548 -8.166 1.00 0.00 N ATOM 339 CA LEU A 21 -10.262 -1.919 -7.990 1.00 0.00 C ATOM 340 C LEU A 21 -10.565 -3.191 -8.770 1.00 0.00 C ATOM 341 O LEU A 21 -11.299 -4.060 -8.294 1.00 0.00 O ATOM 342 CB LEU A 21 -11.176 -0.793 -8.481 1.00 0.00 C ATOM 343 CG LEU A 21 -12.439 -0.703 -7.608 1.00 0.00 C ATOM 344 CD1 LEU A 21 -13.394 0.315 -8.213 1.00 0.00 C ATOM 345 CD2 LEU A 21 -13.143 -2.065 -7.542 1.00 0.00 C ATOM 0 H LEU A 21 -8.720 -0.588 -8.474 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.443 -2.093 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.640 0.156 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.457 -0.971 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.149 -0.401 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.291 0.383 -7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.908 1.290 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.668 0.003 -9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.035 -1.984 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.428 -2.376 -8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.467 -2.804 -7.112 1.00 0.00 H new ATOM 357 N SER A 22 -10.012 -3.287 -9.974 1.00 0.00 N ATOM 358 CA SER A 22 -10.278 -4.450 -10.818 1.00 0.00 C ATOM 359 C SER A 22 -9.626 -5.730 -10.294 1.00 0.00 C ATOM 360 O SER A 22 -10.308 -6.728 -10.035 1.00 0.00 O ATOM 361 CB SER A 22 -9.784 -4.185 -12.236 1.00 0.00 C ATOM 362 OG SER A 22 -9.029 -2.984 -12.253 1.00 0.00 O ATOM 0 H SER A 22 -9.389 -2.590 -10.383 1.00 0.00 H new ATOM 0 HA SER A 22 -11.357 -4.603 -10.807 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.172 -5.018 -12.582 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.630 -4.106 -12.919 1.00 0.00 H new ATOM 0 HG SER A 22 -8.117 -3.167 -11.945 1.00 0.00 H new ATOM 368 N LEU A 23 -8.313 -5.711 -10.172 1.00 0.00 N ATOM 369 CA LEU A 23 -7.577 -6.891 -9.716 1.00 0.00 C ATOM 370 C LEU A 23 -7.940 -7.260 -8.282 1.00 0.00 C ATOM 371 O LEU A 23 -8.108 -8.440 -7.952 1.00 0.00 O ATOM 372 CB LEU A 23 -6.068 -6.629 -9.817 1.00 0.00 C ATOM 373 CG LEU A 23 -5.716 -5.364 -9.022 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.159 -5.747 -7.650 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.651 -4.538 -9.757 1.00 0.00 C ATOM 0 H LEU A 23 -7.730 -4.900 -10.379 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.853 -7.728 -10.357 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.513 -7.483 -9.428 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.778 -6.509 -10.861 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.626 -4.775 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.912 -4.844 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.907 -6.319 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.261 -6.352 -7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.417 -3.646 -9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.749 -5.137 -9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.030 -4.244 -10.736 1.00 0.00 H new ATOM 387 N LEU A 24 -8.059 -6.252 -7.424 1.00 0.00 N ATOM 388 CA LEU A 24 -8.391 -6.501 -6.029 1.00 0.00 C ATOM 389 C LEU A 24 -9.800 -7.061 -5.925 1.00 0.00 C ATOM 390 O LEU A 24 -10.087 -7.887 -5.060 1.00 0.00 O ATOM 391 CB LEU A 24 -8.223 -5.216 -5.200 1.00 0.00 C ATOM 392 CG LEU A 24 -9.540 -4.431 -5.141 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.483 -5.050 -4.115 1.00 0.00 C ATOM 394 CD2 LEU A 24 -9.262 -2.996 -4.715 1.00 0.00 C ATOM 0 H LEU A 24 -7.932 -5.269 -7.666 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.705 -7.243 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.899 -5.469 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.443 -4.594 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.997 -4.458 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.412 -4.481 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.697 -6.082 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.014 -5.030 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.199 -2.441 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.795 -2.993 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.593 -2.526 -5.436 1.00 0.00 H new ATOM 406 N GLU A 25 -10.676 -6.620 -6.819 1.00 0.00 N ATOM 407 CA GLU A 25 -12.042 -7.105 -6.815 1.00 0.00 C ATOM 408 C GLU A 25 -12.105 -8.550 -7.300 1.00 0.00 C ATOM 409 O GLU A 25 -12.960 -9.318 -6.870 1.00 0.00 O ATOM 410 CB GLU A 25 -12.900 -6.214 -7.711 1.00 0.00 C ATOM 411 CG GLU A 25 -14.244 -6.885 -7.954 1.00 0.00 C ATOM 412 CD GLU A 25 -15.291 -5.833 -8.304 1.00 0.00 C ATOM 413 OE1 GLU A 25 -15.790 -5.867 -9.415 1.00 0.00 O ATOM 414 OE2 GLU A 25 -15.573 -5.003 -7.452 1.00 0.00 O ATOM 0 H GLU A 25 -10.465 -5.936 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.424 -7.072 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.047 -5.241 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.393 -6.037 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.158 -7.609 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.552 -7.436 -7.065 1.00 0.00 H new ATOM 421 N ALA A 26 -11.188 -8.915 -8.184 1.00 0.00 N ATOM 422 CA ALA A 26 -11.150 -10.275 -8.700 1.00 0.00 C ATOM 423 C ALA A 26 -10.794 -11.254 -7.584 1.00 0.00 C ATOM 424 O ALA A 26 -11.372 -12.338 -7.491 1.00 0.00 O ATOM 425 CB ALA A 26 -10.116 -10.375 -9.821 1.00 0.00 C ATOM 0 H ALA A 26 -10.468 -8.296 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.135 -10.529 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.092 -11.395 -10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.385 -9.692 -10.626 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.132 -10.109 -9.434 1.00 0.00 H new ATOM 431 N ALA A 27 -9.841 -10.866 -6.737 1.00 0.00 N ATOM 432 CA ALA A 27 -9.425 -11.728 -5.628 1.00 0.00 C ATOM 433 C ALA A 27 -10.411 -11.618 -4.466 1.00 0.00 C ATOM 434 O ALA A 27 -10.288 -12.326 -3.467 1.00 0.00 O ATOM 435 CB ALA A 27 -8.027 -11.334 -5.146 1.00 0.00 C ATOM 0 H ALA A 27 -9.348 -9.975 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.407 -12.758 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.730 -11.982 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.316 -11.440 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.038 -10.298 -4.807 1.00 0.00 H new ATOM 441 N ASP A 28 -11.386 -10.722 -4.607 1.00 0.00 N ATOM 442 CA ASP A 28 -12.391 -10.516 -3.567 1.00 0.00 C ATOM 443 C ASP A 28 -11.783 -9.768 -2.378 1.00 0.00 C ATOM 444 O ASP A 28 -11.954 -10.178 -1.229 1.00 0.00 O ATOM 445 CB ASP A 28 -12.953 -11.864 -3.097 1.00 0.00 C ATOM 446 CG ASP A 28 -12.992 -12.855 -4.258 1.00 0.00 C ATOM 447 OD1 ASP A 28 -13.843 -12.697 -5.119 1.00 0.00 O ATOM 448 OD2 ASP A 28 -12.171 -13.757 -4.269 1.00 0.00 O ATOM 0 H ASP A 28 -11.501 -10.129 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.201 -9.918 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.336 -12.262 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.956 -11.727 -2.693 1.00 0.00 H new ATOM 453 N LEU A 29 -11.066 -8.679 -2.664 1.00 0.00 N ATOM 454 CA LEU A 29 -10.429 -7.890 -1.611 1.00 0.00 C ATOM 455 C LEU A 29 -11.116 -6.541 -1.453 1.00 0.00 C ATOM 456 O LEU A 29 -10.544 -5.590 -0.918 1.00 0.00 O ATOM 457 CB LEU A 29 -8.944 -7.695 -1.931 1.00 0.00 C ATOM 458 CG LEU A 29 -8.117 -8.852 -1.340 1.00 0.00 C ATOM 459 CD1 LEU A 29 -7.962 -8.719 0.174 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.784 -10.195 -1.648 1.00 0.00 C ATOM 0 H LEU A 29 -10.913 -8.327 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.523 -8.431 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.800 -7.649 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.598 -6.745 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.130 -8.808 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.373 -9.554 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.456 -7.782 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.946 -8.727 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.188 -11.003 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.783 -10.214 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.857 -10.326 -2.728 1.00 0.00 H new ATOM 472 N LYS A 30 -12.350 -6.479 -1.924 1.00 0.00 N ATOM 473 CA LYS A 30 -13.141 -5.258 -1.848 1.00 0.00 C ATOM 474 C LYS A 30 -14.059 -5.289 -0.626 1.00 0.00 C ATOM 475 O LYS A 30 -14.442 -4.243 -0.097 1.00 0.00 O ATOM 476 CB LYS A 30 -13.984 -5.054 -3.127 1.00 0.00 C ATOM 477 CG LYS A 30 -14.567 -6.380 -3.667 1.00 0.00 C ATOM 478 CD LYS A 30 -15.965 -6.604 -3.083 1.00 0.00 C ATOM 479 CE LYS A 30 -16.264 -8.105 -3.015 1.00 0.00 C ATOM 480 NZ LYS A 30 -16.244 -8.676 -4.389 1.00 0.00 N ATOM 0 H LYS A 30 -12.830 -7.263 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.447 -4.422 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.799 -4.362 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.365 -4.592 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.617 -6.350 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.914 -7.211 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.028 -6.166 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.711 -6.103 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.525 -8.606 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.237 -8.273 -2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.642 -9.637 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.812 -8.078 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.264 -8.713 -4.735 1.00 0.00 H new ATOM 494 N GLU A 31 -14.414 -6.492 -0.184 1.00 0.00 N ATOM 495 CA GLU A 31 -15.297 -6.637 0.967 1.00 0.00 C ATOM 496 C GLU A 31 -14.607 -6.187 2.251 1.00 0.00 C ATOM 497 O GLU A 31 -14.996 -5.205 2.869 1.00 0.00 O ATOM 498 CB GLU A 31 -15.710 -8.102 1.104 1.00 0.00 C ATOM 499 CG GLU A 31 -17.234 -8.220 1.039 1.00 0.00 C ATOM 500 CD GLU A 31 -17.643 -9.685 1.147 1.00 0.00 C ATOM 501 OE1 GLU A 31 -18.703 -10.023 0.646 1.00 0.00 O ATOM 502 OE2 GLU A 31 -16.888 -10.448 1.728 1.00 0.00 O ATOM 0 H GLU A 31 -14.107 -7.371 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.174 -6.009 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.256 -8.693 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.345 -8.505 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.687 -7.646 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.601 -7.798 0.103 1.00 0.00 H new ATOM 509 N LEU A 32 -13.566 -6.892 2.639 1.00 0.00 N ATOM 510 CA LEU A 32 -12.836 -6.532 3.844 1.00 0.00 C ATOM 511 C LEU A 32 -12.389 -5.072 3.782 1.00 0.00 C ATOM 512 O LEU A 32 -12.062 -4.467 4.805 1.00 0.00 O ATOM 513 CB LEU A 32 -11.613 -7.457 4.031 1.00 0.00 C ATOM 514 CG LEU A 32 -10.420 -7.026 3.148 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.173 -7.805 3.564 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.721 -7.337 1.681 1.00 0.00 C ATOM 0 H LEU A 32 -13.206 -7.710 2.147 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.501 -6.657 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.310 -7.450 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.893 -8.482 3.787 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.255 -5.956 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.331 -7.502 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.946 -7.597 4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.352 -8.873 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.877 -7.031 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.888 -8.408 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.614 -6.794 1.370 1.00 0.00 H new ATOM 528 N LEU A 33 -12.340 -4.533 2.569 1.00 0.00 N ATOM 529 CA LEU A 33 -11.875 -3.164 2.356 1.00 0.00 C ATOM 530 C LEU A 33 -12.915 -2.147 2.785 1.00 0.00 C ATOM 531 O LEU A 33 -12.584 -1.131 3.395 1.00 0.00 O ATOM 532 CB LEU A 33 -11.558 -2.962 0.872 1.00 0.00 C ATOM 533 CG LEU A 33 -10.068 -2.659 0.668 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.682 -1.397 1.436 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.238 -3.837 1.172 1.00 0.00 C ATOM 0 H LEU A 33 -12.616 -5.022 1.717 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.982 -3.014 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.831 -3.856 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.158 -2.142 0.476 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.876 -2.502 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.623 -1.189 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.272 -0.555 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.876 -1.544 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.179 -3.624 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.436 -3.994 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.506 -4.735 0.616 1.00 0.00 H new ATOM 547 N THR A 34 -14.166 -2.415 2.459 1.00 0.00 N ATOM 548 CA THR A 34 -15.233 -1.497 2.817 1.00 0.00 C ATOM 549 C THR A 34 -15.618 -1.702 4.271 1.00 0.00 C ATOM 550 O THR A 34 -16.315 -0.878 4.868 1.00 0.00 O ATOM 551 CB THR A 34 -16.445 -1.713 1.906 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.393 -0.679 2.131 1.00 0.00 O ATOM 553 CG2 THR A 34 -17.087 -3.066 2.196 1.00 0.00 C ATOM 0 H THR A 34 -14.466 -3.249 1.954 1.00 0.00 H new ATOM 0 HA THR A 34 -14.883 -0.473 2.686 1.00 0.00 H new ATOM 0 HB THR A 34 -16.118 -1.693 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.996 0.186 1.895 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.947 -3.208 1.542 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.361 -3.859 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.412 -3.099 3.236 1.00 0.00 H new ATOM 561 N GLN A 35 -15.162 -2.817 4.832 1.00 0.00 N ATOM 562 CA GLN A 35 -15.472 -3.133 6.220 1.00 0.00 C ATOM 563 C GLN A 35 -14.871 -2.091 7.170 1.00 0.00 C ATOM 564 O GLN A 35 -13.914 -1.404 6.817 1.00 0.00 O ATOM 565 CB GLN A 35 -14.931 -4.516 6.569 1.00 0.00 C ATOM 566 CG GLN A 35 -16.055 -5.549 6.457 1.00 0.00 C ATOM 567 CD GLN A 35 -16.700 -5.506 5.074 1.00 0.00 C ATOM 568 OE1 GLN A 35 -17.449 -4.581 4.760 1.00 0.00 O ATOM 569 NE2 GLN A 35 -16.465 -6.471 4.230 1.00 0.00 N ATOM 0 H GLN A 35 -14.584 -3.508 4.354 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.556 -3.122 6.338 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.114 -4.778 5.897 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.524 -4.514 7.580 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.658 -6.546 6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.809 -5.356 7.220 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.844 -7.237 4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.902 -6.460 3.308 1.00 0.00 H new ATOM 578 N PRO A 36 -15.410 -1.961 8.364 1.00 0.00 N ATOM 579 CA PRO A 36 -14.903 -0.981 9.370 1.00 0.00 C ATOM 580 C PRO A 36 -13.650 -1.477 10.093 1.00 0.00 C ATOM 581 O PRO A 36 -13.587 -2.628 10.526 1.00 0.00 O ATOM 582 CB PRO A 36 -16.068 -0.850 10.348 1.00 0.00 C ATOM 583 CG PRO A 36 -16.754 -2.175 10.309 1.00 0.00 C ATOM 584 CD PRO A 36 -16.561 -2.724 8.892 1.00 0.00 C ATOM 0 HA PRO A 36 -14.605 -0.040 8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.716 -0.617 11.353 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.743 -0.047 10.053 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.329 -2.853 11.049 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.813 -2.070 10.543 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.358 -3.795 8.904 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.452 -2.575 8.282 1.00 0.00 H new ATOM 592 N GLY A 37 -12.657 -0.598 10.225 1.00 0.00 N ATOM 593 CA GLY A 37 -11.419 -0.951 10.903 1.00 0.00 C ATOM 594 C GLY A 37 -10.327 0.061 10.579 1.00 0.00 C ATOM 595 O GLY A 37 -10.532 0.975 9.781 1.00 0.00 O ATOM 0 H GLY A 37 -12.689 0.358 9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.584 -0.985 11.980 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.102 -1.948 10.598 1.00 0.00 H new ATOM 599 N ASP A 38 -9.172 -0.114 11.205 1.00 0.00 N ATOM 600 CA ASP A 38 -8.044 0.783 10.981 1.00 0.00 C ATOM 601 C ASP A 38 -6.808 0.001 10.557 1.00 0.00 C ATOM 602 O ASP A 38 -6.252 -0.773 11.334 1.00 0.00 O ATOM 603 CB ASP A 38 -7.737 1.560 12.261 1.00 0.00 C ATOM 604 CG ASP A 38 -8.658 1.096 13.384 1.00 0.00 C ATOM 605 OD1 ASP A 38 -9.843 1.375 13.305 1.00 0.00 O ATOM 606 OD2 ASP A 38 -8.165 0.467 14.307 1.00 0.00 O ATOM 0 H ASP A 38 -8.990 -0.866 11.870 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.311 1.477 10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.696 1.409 12.547 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.869 2.628 12.089 1.00 0.00 H new ATOM 611 N TRP A 39 -6.370 0.226 9.323 1.00 0.00 N ATOM 612 CA TRP A 39 -5.182 -0.452 8.811 1.00 0.00 C ATOM 613 C TRP A 39 -4.413 0.465 7.869 1.00 0.00 C ATOM 614 O TRP A 39 -4.937 1.474 7.397 1.00 0.00 O ATOM 615 CB TRP A 39 -5.570 -1.732 8.062 1.00 0.00 C ATOM 616 CG TRP A 39 -6.937 -2.178 8.472 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.255 -2.730 9.666 1.00 0.00 C ATOM 618 CD2 TRP A 39 -8.168 -2.131 7.701 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.610 -3.014 9.679 1.00 0.00 N ATOM 620 CE2 TRP A 39 -9.217 -2.659 8.489 1.00 0.00 C ATOM 621 CE3 TRP A 39 -8.476 -1.670 6.409 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -10.524 -2.742 8.006 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -9.788 -1.753 5.919 1.00 0.00 C ATOM 624 CH2 TRP A 39 -10.811 -2.281 6.718 1.00 0.00 C ATOM 0 H TRP A 39 -6.813 0.866 8.664 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.551 -0.712 9.661 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.545 -1.554 6.987 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.845 -2.518 8.272 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.565 -2.918 10.476 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.100 -3.433 10.469 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.698 -1.249 5.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -11.307 -3.159 8.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -10.011 -1.408 4.920 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -11.821 -2.332 6.339 1.00 0.00 H new ATOM 635 N THR A 40 -3.168 0.097 7.587 1.00 0.00 N ATOM 636 CA THR A 40 -2.338 0.879 6.688 1.00 0.00 C ATOM 637 C THR A 40 -2.393 0.303 5.281 1.00 0.00 C ATOM 638 O THR A 40 -2.250 -0.912 5.100 1.00 0.00 O ATOM 639 CB THR A 40 -0.891 0.889 7.170 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.862 0.996 8.585 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.172 2.085 6.552 1.00 0.00 C ATOM 0 H THR A 40 -2.716 -0.734 7.968 1.00 0.00 H new ATOM 0 HA THR A 40 -2.720 1.900 6.676 1.00 0.00 H new ATOM 0 HB THR A 40 -0.396 -0.035 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.068 1.001 8.894 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.864 2.101 6.890 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.197 2.003 5.465 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.668 3.006 6.858 1.00 0.00 H new ATOM 649 N LEU A 41 -2.617 1.178 4.296 1.00 0.00 N ATOM 650 CA LEU A 41 -2.713 0.740 2.907 1.00 0.00 C ATOM 651 C LEU A 41 -1.573 1.293 2.071 1.00 0.00 C ATOM 652 O LEU A 41 -1.407 2.508 1.950 1.00 0.00 O ATOM 653 CB LEU A 41 -4.068 1.184 2.330 1.00 0.00 C ATOM 654 CG LEU A 41 -4.221 0.824 0.831 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.414 1.770 -0.060 1.00 0.00 C ATOM 656 CD2 LEU A 41 -3.747 -0.597 0.558 1.00 0.00 C ATOM 0 H LEU A 41 -2.734 2.182 4.435 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.640 -0.347 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.872 0.715 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.177 2.261 2.455 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.282 0.917 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.546 1.487 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.762 2.793 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.358 1.706 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.866 -0.823 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.696 -0.689 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.339 -1.298 1.147 1.00 0.00 H new ATOM 668 N PHE A 42 -0.801 0.379 1.482 1.00 0.00 N ATOM 669 CA PHE A 42 0.320 0.751 0.627 1.00 0.00 C ATOM 670 C PHE A 42 -0.055 0.554 -0.834 1.00 0.00 C ATOM 671 O PHE A 42 -0.181 -0.577 -1.307 1.00 0.00 O ATOM 672 CB PHE A 42 1.551 -0.102 0.950 1.00 0.00 C ATOM 673 CG PHE A 42 2.461 0.665 1.872 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.112 0.848 3.215 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.657 1.194 1.383 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.964 1.562 4.064 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.502 1.905 2.235 1.00 0.00 C ATOM 678 CZ PHE A 42 4.155 2.090 3.572 1.00 0.00 C ATOM 0 H PHE A 42 -0.935 -0.627 1.584 1.00 0.00 H new ATOM 0 HA PHE A 42 0.556 1.800 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.246 -1.038 1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.079 -0.361 0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.187 0.439 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.927 1.053 0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.698 1.704 5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.428 2.313 1.858 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.811 2.644 4.228 1.00 0.00 H new ATOM 688 N VAL A 43 -0.248 1.668 -1.537 1.00 0.00 N ATOM 689 CA VAL A 43 -0.631 1.626 -2.939 1.00 0.00 C ATOM 690 C VAL A 43 0.419 2.317 -3.827 1.00 0.00 C ATOM 691 O VAL A 43 0.554 3.538 -3.772 1.00 0.00 O ATOM 692 CB VAL A 43 -1.985 2.306 -3.141 1.00 0.00 C ATOM 693 CG1 VAL A 43 -2.102 3.569 -2.287 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.149 2.672 -4.617 1.00 0.00 C ATOM 0 H VAL A 43 -0.145 2.608 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.699 0.577 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.769 1.613 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.075 4.031 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.998 3.307 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.316 4.271 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.113 3.157 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.351 3.352 -4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.100 1.768 -5.224 1.00 0.00 H new ATOM 704 N PRO A 44 1.139 1.583 -4.654 1.00 0.00 N ATOM 705 CA PRO A 44 2.158 2.169 -5.571 1.00 0.00 C ATOM 706 C PRO A 44 1.519 2.724 -6.847 1.00 0.00 C ATOM 707 O PRO A 44 0.505 2.206 -7.313 1.00 0.00 O ATOM 708 CB PRO A 44 3.059 0.981 -5.887 1.00 0.00 C ATOM 709 CG PRO A 44 2.177 -0.218 -5.798 1.00 0.00 C ATOM 710 CD PRO A 44 1.071 0.120 -4.806 1.00 0.00 C ATOM 0 HA PRO A 44 2.688 3.012 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.497 1.074 -6.881 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.885 0.915 -5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.759 -0.463 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.742 -1.089 -5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.096 -0.195 -5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.226 -0.385 -3.853 1.00 0.00 H new ATOM 718 N THR A 45 2.105 3.784 -7.406 1.00 0.00 N ATOM 719 CA THR A 45 1.555 4.381 -8.619 1.00 0.00 C ATOM 720 C THR A 45 1.934 3.578 -9.863 1.00 0.00 C ATOM 721 O THR A 45 2.610 2.551 -9.782 1.00 0.00 O ATOM 722 CB THR A 45 2.055 5.814 -8.757 1.00 0.00 C ATOM 723 OG1 THR A 45 3.346 5.922 -8.172 1.00 0.00 O ATOM 724 CG2 THR A 45 1.082 6.744 -8.038 1.00 0.00 C ATOM 0 H THR A 45 2.944 4.238 -7.045 1.00 0.00 H new ATOM 0 HA THR A 45 0.468 4.374 -8.535 1.00 0.00 H new ATOM 0 HB THR A 45 2.117 6.090 -9.810 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.670 6.843 -8.261 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.428 7.774 -8.129 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.093 6.653 -8.487 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.029 6.471 -6.984 1.00 0.00 H new ATOM 732 N ASN A 46 1.492 4.051 -11.020 1.00 0.00 N ATOM 733 CA ASN A 46 1.795 3.363 -12.264 1.00 0.00 C ATOM 734 C ASN A 46 3.290 3.414 -12.548 1.00 0.00 C ATOM 735 O ASN A 46 3.845 2.492 -13.134 1.00 0.00 O ATOM 736 CB ASN A 46 1.030 4.002 -13.425 1.00 0.00 C ATOM 737 CG ASN A 46 1.985 4.315 -14.572 1.00 0.00 C ATOM 738 OD1 ASN A 46 2.505 5.427 -14.661 1.00 0.00 O ATOM 739 ND2 ASN A 46 2.248 3.395 -15.460 1.00 0.00 N ATOM 0 H ASN A 46 0.930 4.896 -11.122 1.00 0.00 H new ATOM 0 HA ASN A 46 1.487 2.322 -12.163 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.245 3.328 -13.768 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.541 4.916 -13.089 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.886 3.597 -16.230 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.816 2.474 -15.384 1.00 0.00 H new ATOM 746 N ASP A 47 3.936 4.495 -12.133 1.00 0.00 N ATOM 747 CA ASP A 47 5.367 4.647 -12.366 1.00 0.00 C ATOM 748 C ASP A 47 6.169 3.592 -11.610 1.00 0.00 C ATOM 749 O ASP A 47 7.347 3.376 -11.890 1.00 0.00 O ATOM 750 CB ASP A 47 5.819 6.042 -11.936 1.00 0.00 C ATOM 751 CG ASP A 47 5.101 7.095 -12.773 1.00 0.00 C ATOM 752 OD1 ASP A 47 5.115 8.249 -12.378 1.00 0.00 O ATOM 753 OD2 ASP A 47 4.544 6.731 -13.796 1.00 0.00 O ATOM 0 H ASP A 47 3.498 5.272 -11.638 1.00 0.00 H new ATOM 0 HA ASP A 47 5.549 4.514 -13.432 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.603 6.195 -10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.898 6.139 -12.059 1.00 0.00 H new ATOM 758 N ALA A 48 5.526 2.948 -10.654 1.00 0.00 N ATOM 759 CA ALA A 48 6.180 1.926 -9.854 1.00 0.00 C ATOM 760 C ALA A 48 6.019 0.545 -10.468 1.00 0.00 C ATOM 761 O ALA A 48 6.961 -0.253 -10.477 1.00 0.00 O ATOM 762 CB ALA A 48 5.550 1.910 -8.477 1.00 0.00 C ATOM 0 H ALA A 48 4.549 3.114 -10.411 1.00 0.00 H new ATOM 0 HA ALA A 48 7.243 2.162 -9.805 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.032 1.147 -7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.677 2.885 -8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.487 1.686 -8.566 1.00 0.00 H new ATOM 768 N PHE A 49 4.814 0.263 -10.955 1.00 0.00 N ATOM 769 CA PHE A 49 4.525 -1.045 -11.549 1.00 0.00 C ATOM 770 C PHE A 49 4.228 -0.919 -13.033 1.00 0.00 C ATOM 771 O PHE A 49 3.735 -1.855 -13.663 1.00 0.00 O ATOM 772 CB PHE A 49 3.349 -1.720 -10.827 1.00 0.00 C ATOM 773 CG PHE A 49 2.042 -1.383 -11.510 1.00 0.00 C ATOM 774 CD1 PHE A 49 1.381 -0.193 -11.195 1.00 0.00 C ATOM 775 CD2 PHE A 49 1.484 -2.267 -12.444 1.00 0.00 C ATOM 776 CE1 PHE A 49 0.166 0.120 -11.815 1.00 0.00 C ATOM 777 CE2 PHE A 49 0.269 -1.953 -13.066 1.00 0.00 C ATOM 778 CZ PHE A 49 -0.390 -0.759 -12.750 1.00 0.00 C ATOM 0 H PHE A 49 4.028 0.913 -10.952 1.00 0.00 H new ATOM 0 HA PHE A 49 5.412 -1.668 -11.431 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.493 -2.800 -10.817 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.317 -1.393 -9.788 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.808 0.486 -10.472 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.991 -3.190 -12.684 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.343 1.041 -11.571 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.159 -2.632 -13.789 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.328 -0.517 -13.228 1.00 0.00 H new ATOM 834 N THR A 53 7.593 -6.308 -16.090 1.00 0.00 N ATOM 835 CA THR A 53 8.042 -7.289 -17.055 1.00 0.00 C ATOM 836 C THR A 53 7.061 -8.446 -17.134 1.00 0.00 C ATOM 837 O THR A 53 6.324 -8.715 -16.184 1.00 0.00 O ATOM 838 CB THR A 53 9.430 -7.793 -16.687 1.00 0.00 C ATOM 839 OG1 THR A 53 9.364 -8.574 -15.505 1.00 0.00 O ATOM 840 CG2 THR A 53 10.347 -6.593 -16.470 1.00 0.00 C ATOM 0 HA THR A 53 8.092 -6.814 -18.035 1.00 0.00 H new ATOM 0 HB THR A 53 9.822 -8.415 -17.492 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.157 -9.146 -15.446 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.345 -6.941 -16.205 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.399 -6.004 -17.386 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.953 -5.975 -15.663 1.00 0.00 H new ATOM 848 N SER A 54 7.049 -9.119 -18.273 1.00 0.00 N ATOM 849 CA SER A 54 6.141 -10.241 -18.464 1.00 0.00 C ATOM 850 C SER A 54 6.395 -11.312 -17.413 1.00 0.00 C ATOM 851 O SER A 54 5.475 -12.011 -16.989 1.00 0.00 O ATOM 852 CB SER A 54 6.321 -10.835 -19.861 1.00 0.00 C ATOM 853 OG SER A 54 7.618 -11.405 -19.966 1.00 0.00 O ATOM 0 H SER A 54 7.649 -8.913 -19.071 1.00 0.00 H new ATOM 0 HA SER A 54 5.118 -9.879 -18.360 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.561 -11.595 -20.046 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.189 -10.061 -20.617 1.00 0.00 H new ATOM 0 HG SER A 54 7.736 -11.788 -20.860 1.00 0.00 H new ATOM 859 N GLU A 55 7.649 -11.434 -16.993 1.00 0.00 N ATOM 860 CA GLU A 55 8.013 -12.423 -15.989 1.00 0.00 C ATOM 861 C GLU A 55 7.691 -11.917 -14.586 1.00 0.00 C ATOM 862 O GLU A 55 7.387 -12.702 -13.689 1.00 0.00 O ATOM 863 CB GLU A 55 9.503 -12.745 -16.088 1.00 0.00 C ATOM 864 CG GLU A 55 9.744 -14.182 -15.617 1.00 0.00 C ATOM 865 CD GLU A 55 11.179 -14.334 -15.128 1.00 0.00 C ATOM 866 OE1 GLU A 55 11.487 -13.788 -14.082 1.00 0.00 O ATOM 867 OE2 GLU A 55 11.947 -14.996 -15.805 1.00 0.00 O ATOM 0 H GLU A 55 8.425 -10.864 -17.330 1.00 0.00 H new ATOM 0 HA GLU A 55 7.432 -13.327 -16.175 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.845 -12.625 -17.116 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.078 -12.049 -15.478 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.049 -14.433 -14.815 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.553 -14.878 -16.434 1.00 0.00 H new ATOM 874 N GLU A 56 7.760 -10.603 -14.401 1.00 0.00 N ATOM 875 CA GLU A 56 7.480 -10.013 -13.097 1.00 0.00 C ATOM 876 C GLU A 56 6.013 -10.183 -12.725 1.00 0.00 C ATOM 877 O GLU A 56 5.689 -10.435 -11.566 1.00 0.00 O ATOM 878 CB GLU A 56 7.837 -8.524 -13.103 1.00 0.00 C ATOM 879 CG GLU A 56 9.327 -8.358 -12.798 1.00 0.00 C ATOM 880 CD GLU A 56 9.828 -7.017 -13.326 1.00 0.00 C ATOM 881 OE1 GLU A 56 11.023 -6.785 -13.252 1.00 0.00 O ATOM 882 OE2 GLU A 56 9.011 -6.242 -13.796 1.00 0.00 O ATOM 0 H GLU A 56 8.005 -9.932 -15.129 1.00 0.00 H new ATOM 0 HA GLU A 56 8.090 -10.530 -12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.602 -8.086 -14.073 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.241 -7.993 -12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.494 -8.419 -11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.892 -9.171 -13.255 1.00 0.00 H new ATOM 889 N LYS A 57 5.128 -10.035 -13.707 1.00 0.00 N ATOM 890 CA LYS A 57 3.699 -10.167 -13.456 1.00 0.00 C ATOM 891 C LYS A 57 3.268 -11.632 -13.487 1.00 0.00 C ATOM 892 O LYS A 57 2.357 -12.036 -12.762 1.00 0.00 O ATOM 893 CB LYS A 57 2.922 -9.380 -14.506 1.00 0.00 C ATOM 894 CG LYS A 57 3.192 -9.978 -15.887 1.00 0.00 C ATOM 895 CD LYS A 57 2.827 -8.959 -16.965 1.00 0.00 C ATOM 896 CE LYS A 57 1.402 -8.455 -16.734 1.00 0.00 C ATOM 897 NZ LYS A 57 1.417 -7.331 -15.754 1.00 0.00 N ATOM 0 H LYS A 57 5.373 -9.826 -14.675 1.00 0.00 H new ATOM 0 HA LYS A 57 3.486 -9.770 -12.464 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.855 -9.412 -14.285 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.220 -8.332 -14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.242 -10.256 -15.975 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.609 -10.889 -16.021 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.527 -8.124 -16.942 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.907 -9.415 -17.952 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.967 -8.122 -17.676 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.775 -9.266 -16.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.781 -6.576 -16.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.097 -7.675 -14.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.384 -6.957 -15.670 1.00 0.00 H new ATOM 911 N GLU A 58 3.924 -12.424 -14.329 1.00 0.00 N ATOM 912 CA GLU A 58 3.596 -13.833 -14.443 1.00 0.00 C ATOM 913 C GLU A 58 3.933 -14.568 -13.149 1.00 0.00 C ATOM 914 O GLU A 58 3.108 -15.293 -12.601 1.00 0.00 O ATOM 915 CB GLU A 58 4.371 -14.447 -15.605 1.00 0.00 C ATOM 916 CG GLU A 58 4.339 -15.966 -15.494 1.00 0.00 C ATOM 917 CD GLU A 58 4.458 -16.595 -16.879 1.00 0.00 C ATOM 918 OE1 GLU A 58 3.430 -16.925 -17.447 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.574 -16.738 -17.349 1.00 0.00 O ATOM 0 H GLU A 58 4.681 -12.113 -14.938 1.00 0.00 H new ATOM 0 HA GLU A 58 2.526 -13.930 -14.628 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.935 -14.132 -16.553 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.402 -14.093 -15.595 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.155 -16.309 -14.859 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.411 -16.284 -15.020 1.00 0.00 H new ATOM 926 N ILE A 59 5.149 -14.376 -12.662 1.00 0.00 N ATOM 927 CA ILE A 59 5.570 -15.029 -11.429 1.00 0.00 C ATOM 928 C ILE A 59 4.506 -14.868 -10.345 1.00 0.00 C ATOM 929 O ILE A 59 4.469 -15.633 -9.380 1.00 0.00 O ATOM 930 CB ILE A 59 6.887 -14.425 -10.945 1.00 0.00 C ATOM 931 CG1 ILE A 59 8.025 -14.899 -11.858 1.00 0.00 C ATOM 932 CG2 ILE A 59 7.160 -14.883 -9.512 1.00 0.00 C ATOM 933 CD1 ILE A 59 9.243 -13.979 -11.707 1.00 0.00 C ATOM 0 H ILE A 59 5.856 -13.781 -13.094 1.00 0.00 H new ATOM 0 HA ILE A 59 5.708 -16.091 -11.631 1.00 0.00 H new ATOM 0 HB ILE A 59 6.824 -13.337 -10.972 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.300 -15.923 -11.606 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.691 -14.904 -12.895 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.100 -14.453 -9.165 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.348 -14.553 -8.864 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.227 -15.971 -9.484 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.044 -14.326 -12.360 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.966 -12.961 -11.981 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.585 -13.996 -10.672 1.00 0.00 H new ATOM 945 N LEU A 60 3.650 -13.862 -10.504 1.00 0.00 N ATOM 946 CA LEU A 60 2.597 -13.602 -9.525 1.00 0.00 C ATOM 947 C LEU A 60 1.357 -14.448 -9.809 1.00 0.00 C ATOM 948 O LEU A 60 0.883 -15.190 -8.943 1.00 0.00 O ATOM 949 CB LEU A 60 2.211 -12.127 -9.544 1.00 0.00 C ATOM 950 CG LEU A 60 3.431 -11.284 -9.908 1.00 0.00 C ATOM 951 CD1 LEU A 60 3.054 -9.809 -9.859 1.00 0.00 C ATOM 952 CD2 LEU A 60 4.556 -11.568 -8.910 1.00 0.00 C ATOM 0 H LEU A 60 3.664 -13.218 -11.295 1.00 0.00 H new ATOM 0 HA LEU A 60 2.986 -13.869 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.412 -11.959 -10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.828 -11.828 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 60 3.770 -11.535 -10.913 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.922 -9.203 -10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.251 -9.615 -10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.719 -9.552 -8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.429 -10.968 -9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.223 -11.313 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.818 -12.625 -8.948 1.00 0.00 H new ATOM 964 N ILE A 61 0.834 -14.323 -11.029 1.00 0.00 N ATOM 965 CA ILE A 61 -0.352 -15.075 -11.420 1.00 0.00 C ATOM 966 C ILE A 61 -0.020 -16.561 -11.529 1.00 0.00 C ATOM 967 O ILE A 61 -0.913 -17.400 -11.640 1.00 0.00 O ATOM 968 CB ILE A 61 -0.899 -14.561 -12.763 1.00 0.00 C ATOM 969 CG1 ILE A 61 0.055 -14.940 -13.899 1.00 0.00 C ATOM 970 CG2 ILE A 61 -1.037 -13.036 -12.717 1.00 0.00 C ATOM 971 CD1 ILE A 61 -0.533 -16.099 -14.705 1.00 0.00 C ATOM 0 H ILE A 61 1.211 -13.714 -11.755 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.116 -14.935 -10.655 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.874 -15.015 -12.940 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.221 -14.081 -14.549 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.025 -15.224 -13.492 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.425 -12.677 -13.670 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.723 -12.757 -11.918 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.061 -12.588 -12.530 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.150 -16.364 -15.512 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.676 -16.960 -14.052 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.493 -15.799 -15.126 1.00 0.00 H new ATOM 983 N ARG A 62 1.273 -16.871 -11.495 1.00 0.00 N ATOM 984 CA ARG A 62 1.721 -18.257 -11.590 1.00 0.00 C ATOM 985 C ARG A 62 1.155 -19.076 -10.439 1.00 0.00 C ATOM 986 O ARG A 62 0.928 -20.279 -10.571 1.00 0.00 O ATOM 987 CB ARG A 62 3.248 -18.318 -11.556 1.00 0.00 C ATOM 988 CG ARG A 62 3.717 -19.654 -12.129 1.00 0.00 C ATOM 989 CD ARG A 62 5.237 -19.761 -11.998 1.00 0.00 C ATOM 990 NE ARG A 62 5.593 -20.329 -10.703 1.00 0.00 N ATOM 991 CZ ARG A 62 6.722 -21.012 -10.532 1.00 0.00 C ATOM 992 NH1 ARG A 62 7.543 -21.181 -11.533 1.00 0.00 N ATOM 993 NH2 ARG A 62 7.007 -21.514 -9.363 1.00 0.00 N ATOM 0 H ARG A 62 2.024 -16.187 -11.403 1.00 0.00 H new ATOM 0 HA ARG A 62 1.363 -18.672 -12.532 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.668 -17.495 -12.134 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.604 -18.204 -10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.237 -20.477 -11.600 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.425 -19.735 -13.176 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.635 -20.385 -12.798 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.689 -18.775 -12.107 1.00 0.00 H new ATOM 0 HE ARG A 62 4.963 -20.200 -9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.319 -20.789 -12.448 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.408 -21.705 -11.400 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.365 -21.383 -8.581 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.872 -22.038 -9.230 1.00 0.00 H new ATOM 1007 N ASP A 63 0.929 -18.415 -9.311 1.00 0.00 N ATOM 1008 CA ASP A 63 0.386 -19.092 -8.143 1.00 0.00 C ATOM 1009 C ASP A 63 -0.599 -18.185 -7.423 1.00 0.00 C ATOM 1010 O ASP A 63 -0.249 -17.079 -7.013 1.00 0.00 O ATOM 1011 CB ASP A 63 1.515 -19.481 -7.189 1.00 0.00 C ATOM 1012 CG ASP A 63 2.820 -19.632 -7.963 1.00 0.00 C ATOM 1013 OD1 ASP A 63 3.457 -18.622 -8.214 1.00 0.00 O ATOM 1014 OD2 ASP A 63 3.162 -20.755 -8.294 1.00 0.00 O ATOM 0 H ASP A 63 1.112 -17.420 -9.181 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.132 -19.993 -8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.627 -18.721 -6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.271 -20.416 -6.685 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.831 -18.652 -7.277 1.00 0.00 N ATOM 1020 CA LYS A 64 -2.851 -17.862 -6.603 1.00 0.00 C ATOM 1021 C LYS A 64 -2.291 -17.305 -5.304 1.00 0.00 C ATOM 1022 O LYS A 64 -2.615 -16.193 -4.906 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.088 -18.744 -6.319 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.028 -18.122 -5.256 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.788 -16.924 -5.840 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.072 -17.416 -6.510 1.00 0.00 C ATOM 1027 NZ LYS A 64 -8.181 -17.363 -5.518 1.00 0.00 N ATOM 0 H LYS A 64 -2.146 -19.563 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.150 -17.031 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.642 -18.896 -7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.760 -19.726 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.736 -18.873 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.447 -17.804 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.026 -16.211 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.164 -16.401 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.309 -16.795 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.941 -18.434 -6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.060 -17.696 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.951 -17.972 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.307 -16.384 -5.191 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.474 -18.092 -4.632 1.00 0.00 N ATOM 1042 CA ASN A 65 -0.913 -17.659 -3.371 1.00 0.00 C ATOM 1043 C ASN A 65 0.081 -16.521 -3.579 1.00 0.00 C ATOM 1044 O ASN A 65 0.190 -15.624 -2.742 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.226 -18.829 -2.675 1.00 0.00 C ATOM 1046 CG ASN A 65 -0.665 -18.886 -1.214 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -0.002 -18.322 -0.345 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -1.754 -19.531 -0.891 1.00 0.00 N ATOM 0 H ASN A 65 -1.187 -19.023 -4.934 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.726 -17.294 -2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.478 -19.763 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.856 -18.716 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.055 -19.567 0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.303 -19.998 -1.613 1.00 0.00 H new ATOM 1055 N ALA A 66 0.808 -16.571 -4.693 1.00 0.00 N ATOM 1056 CA ALA A 66 1.816 -15.554 -4.991 1.00 0.00 C ATOM 1057 C ALA A 66 1.189 -14.176 -5.176 1.00 0.00 C ATOM 1058 O ALA A 66 1.468 -13.231 -4.415 1.00 0.00 O ATOM 1059 CB ALA A 66 2.566 -15.938 -6.266 1.00 0.00 C ATOM 0 H ALA A 66 0.720 -17.300 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 66 2.502 -15.505 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.317 -15.180 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.054 -16.902 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.862 -16.006 -7.096 1.00 0.00 H new ATOM 1065 N LEU A 67 0.329 -14.056 -6.183 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.312 -12.781 -6.424 1.00 0.00 C ATOM 1067 C LEU A 67 -1.093 -12.370 -5.177 1.00 0.00 C ATOM 1068 O LEU A 67 -1.250 -11.183 -4.903 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.216 -12.843 -7.681 1.00 0.00 C ATOM 1070 CG LEU A 67 -2.704 -12.784 -7.308 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -3.561 -12.715 -8.569 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.050 -14.039 -6.514 1.00 0.00 C ATOM 0 H LEU A 67 0.069 -14.805 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 67 0.446 -12.023 -6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.973 -12.014 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.014 -13.762 -8.231 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.901 -11.894 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.614 -12.674 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.300 -11.822 -9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.381 -13.600 -9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.104 -14.016 -6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.853 -14.921 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.440 -14.078 -5.611 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.601 -13.355 -4.428 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.381 -13.052 -3.235 1.00 0.00 C ATOM 1086 C GLN A 68 -1.547 -12.244 -2.245 1.00 0.00 C ATOM 1087 O GLN A 68 -1.967 -11.189 -1.757 1.00 0.00 O ATOM 1088 CB GLN A 68 -2.863 -14.334 -2.557 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.350 -14.572 -2.871 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.219 -13.698 -1.976 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.323 -12.425 -2.249 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -5.807 -14.181 -1.010 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.486 -14.349 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.247 -12.467 -3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.271 -15.182 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.718 -14.261 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.550 -14.346 -3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.598 -15.622 -2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.719 -15.176 -0.805 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.382 -13.586 -0.414 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.356 -12.750 -1.948 1.00 0.00 N ATOM 1102 CA ASN A 69 0.517 -12.063 -1.019 1.00 0.00 C ATOM 1103 C ASN A 69 0.747 -10.638 -1.489 1.00 0.00 C ATOM 1104 O ASN A 69 0.749 -9.702 -0.687 1.00 0.00 O ATOM 1105 CB ASN A 69 1.855 -12.788 -0.906 1.00 0.00 C ATOM 1106 CG ASN A 69 1.650 -14.284 -1.064 1.00 0.00 C ATOM 1107 OD1 ASN A 69 2.343 -14.925 -1.955 1.00 0.00 O flip ATOM 1108 ND2 ASN A 69 0.828 -14.879 -0.366 1.00 0.00 N flip ATOM 0 H ASN A 69 0.018 -13.618 -2.332 1.00 0.00 H new ATOM 0 HA ASN A 69 0.041 -12.051 -0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.541 -12.424 -1.671 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.313 -12.575 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.287 -14.369 0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.688 -15.882 -0.486 1.00 0.00 H new ATOM 1115 N ILE A 70 0.940 -10.477 -2.794 1.00 0.00 N ATOM 1116 CA ILE A 70 1.168 -9.143 -3.341 1.00 0.00 C ATOM 1117 C ILE A 70 -0.131 -8.341 -3.393 1.00 0.00 C ATOM 1118 O ILE A 70 -0.119 -7.119 -3.252 1.00 0.00 O ATOM 1119 CB ILE A 70 1.769 -9.239 -4.737 1.00 0.00 C ATOM 1120 CG1 ILE A 70 3.265 -9.549 -4.615 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.577 -7.902 -5.460 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.706 -10.459 -5.764 1.00 0.00 C ATOM 0 H ILE A 70 0.944 -11.233 -3.479 1.00 0.00 H new ATOM 0 HA ILE A 70 1.867 -8.627 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 70 1.277 -10.030 -5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.839 -8.623 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.468 -10.032 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.005 -7.964 -6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.513 -7.678 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.076 -7.111 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.770 -10.674 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.142 -11.391 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.520 -9.960 -6.715 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.250 -9.029 -3.592 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.544 -8.357 -3.655 1.00 0.00 C ATOM 1136 C ILE A 71 -2.761 -7.531 -2.400 1.00 0.00 C ATOM 1137 O ILE A 71 -3.237 -6.402 -2.467 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.664 -9.392 -3.784 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -3.909 -9.723 -5.259 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -4.952 -8.874 -3.156 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -4.914 -8.738 -5.859 1.00 0.00 C ATOM 0 H ILE A 71 -1.289 -10.041 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.557 -7.701 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.355 -10.295 -3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.970 -9.678 -5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.286 -10.742 -5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.735 -9.625 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.784 -8.667 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.260 -7.958 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.081 -8.982 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.857 -8.804 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.521 -7.724 -5.781 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.430 -8.098 -1.251 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.620 -7.374 -0.004 1.00 0.00 C ATOM 1155 C LEU A 72 -1.679 -6.184 0.090 1.00 0.00 C ATOM 1156 O LEU A 72 -1.775 -5.383 1.021 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.365 -8.295 1.166 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.351 -9.443 1.105 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.583 -10.739 1.313 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.414 -9.244 2.197 1.00 0.00 C ATOM 0 H LEU A 72 -2.038 -9.035 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.647 -7.011 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.343 -8.673 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.475 -7.752 2.105 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.856 -9.481 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.273 -11.581 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.833 -10.847 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.091 -10.719 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.130 -10.065 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.932 -9.224 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.935 -8.301 2.030 1.00 0.00 H new ATOM 1172 N TYR A 73 -0.772 -6.076 -0.868 1.00 0.00 N ATOM 1173 CA TYR A 73 0.182 -4.981 -0.872 1.00 0.00 C ATOM 1174 C TYR A 73 0.714 -4.716 0.529 1.00 0.00 C ATOM 1175 O TYR A 73 0.729 -3.573 0.987 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.468 -3.713 -1.417 1.00 0.00 C ATOM 1177 CG TYR A 73 -1.014 -3.999 -2.791 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -0.135 -4.238 -3.852 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -2.395 -4.036 -3.002 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -0.638 -4.517 -5.125 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -2.899 -4.317 -4.274 1.00 0.00 C ATOM 1182 CZ TYR A 73 -2.019 -4.555 -5.336 1.00 0.00 C ATOM 1183 OH TYR A 73 -2.511 -4.822 -6.595 1.00 0.00 O ATOM 0 H TYR A 73 -0.677 -6.728 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 73 1.015 -5.266 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.268 -3.384 -0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.261 -2.904 -1.462 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.932 -4.207 -3.687 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.072 -3.847 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.040 -4.703 -5.945 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.966 -4.351 -4.438 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.523 -3.997 -7.124 1.00 0.00 H new ATOM 1193 N HIS A 74 1.176 -5.771 1.200 1.00 0.00 N ATOM 1194 CA HIS A 74 1.736 -5.626 2.540 1.00 0.00 C ATOM 1195 C HIS A 74 0.766 -4.859 3.440 1.00 0.00 C ATOM 1196 O HIS A 74 1.139 -3.899 4.115 1.00 0.00 O ATOM 1197 CB HIS A 74 3.112 -4.920 2.474 1.00 0.00 C ATOM 1198 CG HIS A 74 3.349 -4.370 1.092 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.496 -5.192 -0.012 1.00 0.00 N ATOM 1200 CD2 HIS A 74 3.413 -3.083 0.612 1.00 0.00 C ATOM 1201 CE1 HIS A 74 3.636 -4.402 -1.093 1.00 0.00 C ATOM 1202 NE2 HIS A 74 3.593 -3.108 -0.769 1.00 0.00 N ATOM 0 H HIS A 74 1.173 -6.726 0.841 1.00 0.00 H new ATOM 0 HA HIS A 74 1.885 -6.617 2.970 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.150 -4.113 3.206 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.903 -5.624 2.734 1.00 0.00 H new ATOM 0 HD1 HIS A 74 3.498 -6.212 -0.007 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.336 -2.190 1.214 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.767 -4.770 -2.100 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.496 -5.297 3.464 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.479 -4.635 4.308 1.00 0.00 C ATOM 1213 C LEU A 75 -1.052 -4.772 5.760 1.00 0.00 C ATOM 1214 O LEU A 75 -0.790 -5.881 6.217 1.00 0.00 O ATOM 1215 CB LEU A 75 -2.861 -5.271 4.093 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.702 -5.250 5.383 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -3.883 -3.812 5.878 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.073 -5.835 5.078 1.00 0.00 C ATOM 0 H LEU A 75 -0.849 -6.086 2.922 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.542 -3.578 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.390 -4.735 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.740 -6.300 3.754 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.193 -5.832 6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.479 -3.814 6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.907 -3.372 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.392 -3.225 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.681 -5.827 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.560 -5.237 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.961 -6.860 4.725 1.00 0.00 H new ATOM 1230 N THR A 76 -0.994 -3.657 6.481 1.00 0.00 N ATOM 1231 CA THR A 76 -0.598 -3.706 7.889 1.00 0.00 C ATOM 1232 C THR A 76 -1.731 -3.185 8.782 1.00 0.00 C ATOM 1233 O THR A 76 -2.375 -2.200 8.435 1.00 0.00 O ATOM 1234 CB THR A 76 0.680 -2.871 8.115 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.774 -3.748 8.356 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.523 -1.936 9.325 1.00 0.00 C ATOM 0 H THR A 76 -1.211 -2.726 6.126 1.00 0.00 H new ATOM 0 HA THR A 76 -0.392 -4.743 8.154 1.00 0.00 H new ATOM 0 HB THR A 76 0.857 -2.267 7.225 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.646 -4.202 9.215 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.438 -1.360 9.461 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.312 -1.256 9.154 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.331 -2.528 10.220 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.964 -3.787 9.932 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.014 -3.308 10.873 1.00 0.00 C ATOM 1246 C PRO A 77 -2.545 -2.096 11.677 1.00 0.00 C ATOM 1247 O PRO A 77 -1.350 -1.913 11.902 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.248 -4.504 11.792 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.940 -5.226 11.822 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.278 -4.988 10.464 1.00 0.00 C ATOM 0 HA PRO A 77 -3.914 -2.981 10.353 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.545 -4.183 12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.044 -5.144 11.413 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.311 -4.854 12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.089 -6.291 11.999 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.206 -4.821 10.567 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.405 -5.845 9.803 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.499 -1.277 12.114 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.176 -0.091 12.901 1.00 0.00 C ATOM 1260 C GLY A 78 -2.535 0.992 12.040 1.00 0.00 C ATOM 1261 O GLY A 78 -1.429 0.819 11.528 1.00 0.00 O ATOM 0 H GLY A 78 -4.495 -1.412 11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.083 0.299 13.363 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.498 -0.363 13.710 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.238 2.108 11.893 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.733 3.226 11.101 1.00 0.00 C ATOM 1267 C VAL A 79 -1.332 3.615 11.562 1.00 0.00 C ATOM 1268 O VAL A 79 -1.044 3.634 12.758 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.664 4.434 11.239 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.072 4.058 10.772 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.718 4.873 12.706 1.00 0.00 C ATOM 0 H VAL A 79 -4.156 2.264 12.309 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.694 2.915 10.057 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.285 5.251 10.625 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.731 4.920 10.872 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.038 3.746 9.728 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.451 3.239 11.383 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.381 5.733 12.804 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.094 4.053 13.318 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.717 5.146 13.041 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.466 3.930 10.604 1.00 0.00 N ATOM 1282 CA PHE A 80 0.901 4.323 10.927 1.00 0.00 C ATOM 1283 C PHE A 80 0.987 5.834 11.125 1.00 0.00 C ATOM 1284 O PHE A 80 0.360 6.599 10.391 1.00 0.00 O ATOM 1285 CB PHE A 80 1.847 3.897 9.804 1.00 0.00 C ATOM 1286 CG PHE A 80 2.441 5.124 9.158 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.821 5.694 8.040 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.609 5.694 9.677 1.00 0.00 C ATOM 1289 CE1 PHE A 80 2.371 6.833 7.440 1.00 0.00 C ATOM 1290 CE2 PHE A 80 4.159 6.833 9.077 1.00 0.00 C ATOM 1291 CZ PHE A 80 3.539 7.403 7.958 1.00 0.00 C ATOM 0 H PHE A 80 -0.683 3.921 9.607 1.00 0.00 H new ATOM 0 HA PHE A 80 1.195 3.828 11.853 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.639 3.262 10.202 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.307 3.307 9.063 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.919 5.255 7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.086 5.255 10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.893 7.272 6.577 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.061 7.272 9.477 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.962 8.282 7.495 1.00 0.00 H new ATOM 1301 N ILE A 81 1.766 6.255 12.119 1.00 0.00 N ATOM 1302 CA ILE A 81 1.926 7.678 12.407 1.00 0.00 C ATOM 1303 C ILE A 81 3.402 8.058 12.432 1.00 0.00 C ATOM 1304 O ILE A 81 4.164 7.572 13.269 1.00 0.00 O ATOM 1305 CB ILE A 81 1.290 8.012 13.757 1.00 0.00 C ATOM 1306 CG1 ILE A 81 0.038 7.156 13.955 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.906 9.493 13.790 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.694 7.602 15.221 1.00 0.00 C ATOM 0 H ILE A 81 2.293 5.636 12.735 1.00 0.00 H new ATOM 0 HA ILE A 81 1.430 8.246 11.620 1.00 0.00 H new ATOM 0 HB ILE A 81 2.003 7.805 14.555 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.619 7.250 13.091 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.313 6.104 14.033 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.453 9.730 14.753 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.798 10.103 13.649 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.193 9.702 12.992 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.586 6.991 15.360 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.036 7.485 16.082 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.983 8.649 15.125 1.00 0.00 H new ATOM 1405 N GLY A 88 14.622 9.045 11.530 1.00 0.00 N ATOM 1406 CA GLY A 88 16.063 8.834 11.418 1.00 0.00 C ATOM 1407 C GLY A 88 16.410 7.350 11.492 1.00 0.00 C ATOM 1408 O GLY A 88 17.301 6.878 10.787 1.00 0.00 O ATOM 0 HA2 GLY A 88 16.422 9.248 10.475 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.575 9.370 12.217 1.00 0.00 H new ATOM 1412 N VAL A 89 15.706 6.623 12.352 1.00 0.00 N ATOM 1413 CA VAL A 89 15.951 5.199 12.510 1.00 0.00 C ATOM 1414 C VAL A 89 14.897 4.386 11.768 1.00 0.00 C ATOM 1415 O VAL A 89 13.742 4.799 11.661 1.00 0.00 O ATOM 1416 CB VAL A 89 15.928 4.836 13.993 1.00 0.00 C ATOM 1417 CG1 VAL A 89 16.712 5.883 14.787 1.00 0.00 C ATOM 1418 CG2 VAL A 89 14.480 4.799 14.488 1.00 0.00 C ATOM 0 H VAL A 89 14.966 6.996 12.946 1.00 0.00 H new ATOM 0 HA VAL A 89 16.929 4.966 12.090 1.00 0.00 H new ATOM 0 HB VAL A 89 16.385 3.856 14.134 1.00 0.00 H new ATOM 0 HG11 VAL A 89 16.696 5.624 15.846 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.743 5.909 14.436 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.256 6.863 14.646 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.464 4.540 15.547 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.022 5.778 14.347 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.921 4.053 13.923 1.00 0.00 H new ATOM 1428 N THR A 90 15.301 3.227 11.257 1.00 0.00 N ATOM 1429 CA THR A 90 14.381 2.362 10.528 1.00 0.00 C ATOM 1430 C THR A 90 13.578 1.501 11.499 1.00 0.00 C ATOM 1431 O THR A 90 14.111 1.023 12.501 1.00 0.00 O ATOM 1432 CB THR A 90 15.162 1.459 9.571 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.287 2.165 9.068 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.259 1.040 8.409 1.00 0.00 C ATOM 0 H THR A 90 16.252 2.867 11.334 1.00 0.00 H new ATOM 0 HA THR A 90 13.695 2.988 9.958 1.00 0.00 H new ATOM 0 HB THR A 90 15.499 0.570 10.104 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.789 1.587 8.456 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.817 0.397 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.396 0.497 8.796 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.920 1.927 7.874 1.00 0.00 H new ATOM 1442 N ASN A 91 12.297 1.309 11.195 1.00 0.00 N ATOM 1443 CA ASN A 91 11.423 0.504 12.046 1.00 0.00 C ATOM 1444 C ASN A 91 10.887 -0.702 11.279 1.00 0.00 C ATOM 1445 O ASN A 91 10.391 -0.566 10.161 1.00 0.00 O ATOM 1446 CB ASN A 91 10.255 1.358 12.542 1.00 0.00 C ATOM 1447 CG ASN A 91 10.776 2.684 13.088 1.00 0.00 C ATOM 1448 OD1 ASN A 91 11.548 2.700 14.047 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.398 3.802 12.533 1.00 0.00 N ATOM 0 H ASN A 91 11.842 1.698 10.369 1.00 0.00 H new ATOM 0 HA ASN A 91 12.002 0.147 12.898 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.555 1.540 11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.708 0.825 13.319 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.742 4.692 12.893 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.758 3.786 11.739 1.00 0.00 H new ATOM 1456 N ILE A 92 10.991 -1.878 11.890 1.00 0.00 N ATOM 1457 CA ILE A 92 10.514 -3.108 11.260 1.00 0.00 C ATOM 1458 C ILE A 92 9.069 -3.380 11.661 1.00 0.00 C ATOM 1459 O ILE A 92 8.794 -3.751 12.802 1.00 0.00 O ATOM 1460 CB ILE A 92 11.391 -4.285 11.688 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.862 -3.852 11.697 1.00 0.00 C ATOM 1462 CG2 ILE A 92 11.203 -5.446 10.709 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.217 -3.182 10.367 1.00 0.00 C ATOM 0 H ILE A 92 11.399 -2.007 12.816 1.00 0.00 H new ATOM 0 HA ILE A 92 10.568 -2.989 10.178 1.00 0.00 H new ATOM 0 HB ILE A 92 11.103 -4.606 12.689 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.042 -3.162 12.521 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.504 -4.718 11.861 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.829 -6.285 11.015 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.158 -5.755 10.707 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.489 -5.127 9.707 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.263 -2.877 10.381 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.055 -3.886 9.550 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.586 -2.305 10.221 1.00 0.00 H new ATOM 1475 N LEU A 93 8.151 -3.192 10.717 1.00 0.00 N ATOM 1476 CA LEU A 93 6.737 -3.418 10.984 1.00 0.00 C ATOM 1477 C LEU A 93 6.245 -4.655 10.241 1.00 0.00 C ATOM 1478 O LEU A 93 6.599 -4.886 9.086 1.00 0.00 O ATOM 1479 CB LEU A 93 5.910 -2.199 10.548 1.00 0.00 C ATOM 1480 CG LEU A 93 5.885 -1.131 11.658 1.00 0.00 C ATOM 1481 CD1 LEU A 93 7.228 -0.391 11.725 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.772 -0.125 11.356 1.00 0.00 C ATOM 0 H LEU A 93 8.360 -2.886 9.767 1.00 0.00 H new ATOM 0 HA LEU A 93 6.614 -3.572 12.056 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.332 -1.774 9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.892 -2.510 10.313 1.00 0.00 H new ATOM 0 HG LEU A 93 5.705 -1.620 12.616 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.191 0.359 12.515 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.025 -1.103 11.938 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.423 0.097 10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.747 0.635 12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.962 0.350 10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.813 -0.642 11.322 1.00 0.00 H new ATOM 1494 N LYS A 94 5.423 -5.447 10.919 1.00 0.00 N ATOM 1495 CA LYS A 94 4.880 -6.660 10.322 1.00 0.00 C ATOM 1496 C LYS A 94 3.561 -6.365 9.622 1.00 0.00 C ATOM 1497 O LYS A 94 2.777 -5.537 10.085 1.00 0.00 O ATOM 1498 CB LYS A 94 4.662 -7.716 11.402 1.00 0.00 C ATOM 1499 CG LYS A 94 3.394 -7.384 12.191 1.00 0.00 C ATOM 1500 CD LYS A 94 3.434 -8.096 13.544 1.00 0.00 C ATOM 1501 CE LYS A 94 2.024 -8.553 13.925 1.00 0.00 C ATOM 1502 NZ LYS A 94 2.022 -9.029 15.337 1.00 0.00 N ATOM 0 H LYS A 94 5.119 -5.272 11.877 1.00 0.00 H new ATOM 0 HA LYS A 94 5.592 -7.034 9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.573 -8.703 10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.521 -7.750 12.072 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.315 -6.307 12.337 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.512 -7.695 11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.105 -8.954 13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.829 -7.426 14.308 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.319 -7.730 13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.697 -9.352 13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.064 -9.340 15.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.683 -9.826 15.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.317 -8.254 15.965 1.00 0.00 H new ATOM 1516 N THR A 95 3.326 -7.048 8.505 1.00 0.00 N ATOM 1517 CA THR A 95 2.096 -6.854 7.744 1.00 0.00 C ATOM 1518 C THR A 95 1.315 -8.158 7.643 1.00 0.00 C ATOM 1519 O THR A 95 1.846 -9.236 7.903 1.00 0.00 O ATOM 1520 CB THR A 95 2.421 -6.341 6.342 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.576 -7.444 5.459 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.715 -5.531 6.384 1.00 0.00 C ATOM 0 H THR A 95 3.966 -7.736 8.109 1.00 0.00 H new ATOM 0 HA THR A 95 1.484 -6.118 8.265 1.00 0.00 H new ATOM 0 HB THR A 95 1.609 -5.706 5.988 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.406 -7.919 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.948 -5.165 5.384 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.593 -4.685 7.061 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.529 -6.164 6.737 1.00 0.00 H new ATOM 1530 N THR A 96 0.050 -8.045 7.263 1.00 0.00 N ATOM 1531 CA THR A 96 -0.811 -9.213 7.127 1.00 0.00 C ATOM 1532 C THR A 96 -0.277 -10.150 6.046 1.00 0.00 C ATOM 1533 O THR A 96 -0.437 -11.367 6.134 1.00 0.00 O ATOM 1534 CB THR A 96 -2.243 -8.779 6.780 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.160 -9.748 7.271 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.399 -8.659 5.266 1.00 0.00 C ATOM 0 H THR A 96 -0.403 -7.158 7.043 1.00 0.00 H new ATOM 0 HA THR A 96 -0.820 -9.745 8.078 1.00 0.00 H new ATOM 0 HB THR A 96 -2.445 -7.811 7.239 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.075 -9.473 7.052 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.417 -8.351 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.697 -7.917 4.886 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.194 -9.624 4.802 1.00 0.00 H new ATOM 1544 N GLN A 97 0.346 -9.574 5.023 1.00 0.00 N ATOM 1545 CA GLN A 97 0.888 -10.367 3.925 1.00 0.00 C ATOM 1546 C GLN A 97 1.812 -11.458 4.467 1.00 0.00 C ATOM 1547 O GLN A 97 2.013 -12.487 3.825 1.00 0.00 O ATOM 1548 CB GLN A 97 1.676 -9.457 2.975 1.00 0.00 C ATOM 1549 CG GLN A 97 2.291 -10.292 1.851 1.00 0.00 C ATOM 1550 CD GLN A 97 2.966 -9.386 0.827 1.00 0.00 C ATOM 1551 OE1 GLN A 97 2.941 -8.162 0.966 1.00 0.00 O ATOM 1552 NE2 GLN A 97 3.576 -9.917 -0.197 1.00 0.00 N ATOM 0 H GLN A 97 0.488 -8.568 4.931 1.00 0.00 H new ATOM 0 HA GLN A 97 0.064 -10.835 3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.018 -8.695 2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.460 -8.935 3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.019 -10.991 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.517 -10.887 1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.595 -10.931 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.034 -9.319 -0.885 1.00 0.00 H new ATOM 1561 N GLY A 98 2.374 -11.221 5.651 1.00 0.00 N ATOM 1562 CA GLY A 98 3.276 -12.189 6.269 1.00 0.00 C ATOM 1563 C GLY A 98 4.720 -11.699 6.217 1.00 0.00 C ATOM 1564 O GLY A 98 5.614 -12.311 6.802 1.00 0.00 O ATOM 0 H GLY A 98 2.222 -10.373 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.982 -12.356 7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.194 -13.147 5.756 1.00 0.00 H new ATOM 1568 N SER A 99 4.940 -10.593 5.515 1.00 0.00 N ATOM 1569 CA SER A 99 6.279 -10.027 5.393 1.00 0.00 C ATOM 1570 C SER A 99 6.430 -8.807 6.294 1.00 0.00 C ATOM 1571 O SER A 99 5.458 -8.341 6.891 1.00 0.00 O ATOM 1572 CB SER A 99 6.547 -9.628 3.941 1.00 0.00 C ATOM 1573 OG SER A 99 7.639 -10.386 3.437 1.00 0.00 O ATOM 0 H SER A 99 4.213 -10.073 5.024 1.00 0.00 H new ATOM 0 HA SER A 99 7.001 -10.783 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.658 -9.802 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.771 -8.563 3.880 1.00 0.00 H new ATOM 0 HG SER A 99 7.811 -10.133 2.506 1.00 0.00 H new ATOM 1579 N LYS A 100 7.656 -8.298 6.385 1.00 0.00 N ATOM 1580 CA LYS A 100 7.934 -7.131 7.214 1.00 0.00 C ATOM 1581 C LYS A 100 8.277 -5.930 6.342 1.00 0.00 C ATOM 1582 O LYS A 100 8.985 -6.058 5.343 1.00 0.00 O ATOM 1583 CB LYS A 100 9.094 -7.426 8.165 1.00 0.00 C ATOM 1584 CG LYS A 100 9.966 -8.536 7.575 1.00 0.00 C ATOM 1585 CD LYS A 100 11.257 -8.662 8.386 1.00 0.00 C ATOM 1586 CE LYS A 100 12.140 -9.754 7.776 1.00 0.00 C ATOM 1587 NZ LYS A 100 12.906 -10.437 8.857 1.00 0.00 N ATOM 0 H LYS A 100 8.469 -8.674 5.897 1.00 0.00 H new ATOM 0 HA LYS A 100 7.042 -6.901 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.688 -6.526 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.711 -7.728 9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.424 -9.482 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.199 -8.314 6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.789 -7.711 8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.025 -8.904 9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.525 -10.476 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.826 -9.318 7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.506 -11.179 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.504 -9.744 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.243 -10.866 9.534 1.00 0.00 H new ATOM 1601 N ILE A 101 7.763 -4.768 6.729 1.00 0.00 N ATOM 1602 CA ILE A 101 8.008 -3.537 5.983 1.00 0.00 C ATOM 1603 C ILE A 101 8.855 -2.574 6.814 1.00 0.00 C ATOM 1604 O ILE A 101 8.579 -2.345 7.992 1.00 0.00 O ATOM 1605 CB ILE A 101 6.668 -2.889 5.611 1.00 0.00 C ATOM 1606 CG1 ILE A 101 6.916 -1.742 4.620 1.00 0.00 C ATOM 1607 CG2 ILE A 101 5.988 -2.354 6.873 1.00 0.00 C ATOM 1608 CD1 ILE A 101 5.581 -1.198 4.084 1.00 0.00 C ATOM 0 H ILE A 101 7.175 -4.651 7.554 1.00 0.00 H new ATOM 0 HA ILE A 101 8.555 -3.772 5.070 1.00 0.00 H new ATOM 0 HB ILE A 101 6.018 -3.631 5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.471 -0.942 5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.531 -2.095 3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.036 -1.894 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.812 -3.175 7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.630 -1.611 7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.774 -0.386 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.041 -1.996 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.980 -0.826 4.914 1.00 0.00 H new ATOM 1620 N PHE A 102 9.900 -2.029 6.197 1.00 0.00 N ATOM 1621 CA PHE A 102 10.796 -1.107 6.889 1.00 0.00 C ATOM 1622 C PHE A 102 10.373 0.336 6.664 1.00 0.00 C ATOM 1623 O PHE A 102 10.286 0.796 5.523 1.00 0.00 O ATOM 1624 CB PHE A 102 12.225 -1.293 6.381 1.00 0.00 C ATOM 1625 CG PHE A 102 12.384 -2.689 5.832 1.00 0.00 C ATOM 1626 CD1 PHE A 102 12.990 -2.884 4.586 1.00 0.00 C ATOM 1627 CD2 PHE A 102 11.927 -3.788 6.568 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.141 -4.178 4.077 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.075 -5.082 6.059 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.684 -5.277 4.813 1.00 0.00 C ATOM 0 H PHE A 102 10.147 -2.209 5.224 1.00 0.00 H new ATOM 0 HA PHE A 102 10.748 -1.326 7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.446 -0.558 5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.935 -1.126 7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.341 -2.036 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.460 -3.637 7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.610 -4.329 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.720 -5.930 6.626 1.00 0.00 H new ATOM 0 HZ PHE A 102 12.801 -6.276 4.420 1.00 0.00 H new ATOM 1640 N LEU A 103 10.108 1.047 7.757 1.00 0.00 N ATOM 1641 CA LEU A 103 9.692 2.444 7.666 1.00 0.00 C ATOM 1642 C LEU A 103 10.744 3.357 8.269 1.00 0.00 C ATOM 1643 O LEU A 103 11.443 2.985 9.211 1.00 0.00 O ATOM 1644 CB LEU A 103 8.370 2.655 8.410 1.00 0.00 C ATOM 1645 CG LEU A 103 7.161 2.433 7.486 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.932 3.638 6.565 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.354 1.165 6.651 1.00 0.00 C ATOM 0 H LEU A 103 10.173 0.683 8.708 1.00 0.00 H new ATOM 0 HA LEU A 103 9.564 2.686 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.314 1.969 9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.338 3.666 8.817 1.00 0.00 H new ATOM 0 HG LEU A 103 6.279 2.316 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.070 3.448 5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.748 4.527 7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.815 3.796 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.490 1.022 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.253 1.264 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.457 0.305 7.313 1.00 0.00 H new ATOM 1659 N LYS A 104 10.849 4.554 7.710 1.00 0.00 N ATOM 1660 CA LYS A 104 11.818 5.519 8.188 1.00 0.00 C ATOM 1661 C LYS A 104 11.434 6.927 7.744 1.00 0.00 C ATOM 1662 O LYS A 104 11.208 7.177 6.561 1.00 0.00 O ATOM 1663 CB LYS A 104 13.197 5.150 7.648 1.00 0.00 C ATOM 1664 CG LYS A 104 14.237 6.130 8.190 1.00 0.00 C ATOM 1665 CD LYS A 104 15.645 5.683 7.778 1.00 0.00 C ATOM 1666 CE LYS A 104 16.101 6.480 6.554 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.451 6.009 6.134 1.00 0.00 N ATOM 0 H LYS A 104 10.277 4.875 6.929 1.00 0.00 H new ATOM 0 HA LYS A 104 11.837 5.502 9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.454 4.132 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.191 5.176 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.038 7.131 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.167 6.183 9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.341 5.835 8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.647 4.617 7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.389 6.354 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.131 7.544 6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.764 6.549 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.126 6.151 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.407 4.998 5.894 1.00 0.00 H new ATOM 1681 N GLU A 105 11.357 7.839 8.706 1.00 0.00 N ATOM 1682 CA GLU A 105 10.999 9.220 8.414 1.00 0.00 C ATOM 1683 C GLU A 105 12.197 10.138 8.632 1.00 0.00 C ATOM 1684 O GLU A 105 12.907 10.020 9.630 1.00 0.00 O ATOM 1685 CB GLU A 105 9.847 9.662 9.318 1.00 0.00 C ATOM 1686 CG GLU A 105 8.962 10.659 8.565 1.00 0.00 C ATOM 1687 CD GLU A 105 8.068 11.417 9.543 1.00 0.00 C ATOM 1688 OE1 GLU A 105 7.153 12.082 9.083 1.00 0.00 O ATOM 1689 OE2 GLU A 105 8.309 11.325 10.735 1.00 0.00 O ATOM 0 H GLU A 105 11.537 7.647 9.691 1.00 0.00 H new ATOM 0 HA GLU A 105 10.688 9.284 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.259 8.797 9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.238 10.120 10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.584 11.362 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.348 10.132 7.834 1.00 0.00 H new ATOM 1696 N VAL A 106 12.416 11.048 7.691 1.00 0.00 N ATOM 1697 CA VAL A 106 13.531 11.984 7.787 1.00 0.00 C ATOM 1698 C VAL A 106 13.110 13.361 7.286 1.00 0.00 C ATOM 1699 O VAL A 106 12.322 13.471 6.350 1.00 0.00 O ATOM 1700 CB VAL A 106 14.710 11.478 6.953 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.852 12.494 7.012 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.194 10.134 7.504 1.00 0.00 C ATOM 0 H VAL A 106 11.840 11.158 6.856 1.00 0.00 H new ATOM 0 HA VAL A 106 13.831 12.061 8.832 1.00 0.00 H new ATOM 0 HB VAL A 106 14.390 11.350 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.691 12.133 6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.510 13.449 6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 106 16.170 12.625 8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.034 9.777 6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.511 10.258 8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.382 9.408 7.458 1.00 0.00 H new ATOM 1712 N ASN A 107 13.640 14.404 7.916 1.00 0.00 N ATOM 1713 CA ASN A 107 13.312 15.773 7.530 1.00 0.00 C ATOM 1714 C ASN A 107 11.827 15.905 7.192 1.00 0.00 C ATOM 1715 O ASN A 107 11.454 16.570 6.227 1.00 0.00 O ATOM 1716 CB ASN A 107 14.162 16.209 6.335 1.00 0.00 C ATOM 1717 CG ASN A 107 13.578 15.639 5.057 1.00 0.00 C ATOM 1718 OD1 ASN A 107 13.830 14.407 4.744 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 12.871 16.333 4.327 1.00 0.00 N flip ATOM 0 H ASN A 107 14.296 14.329 8.693 1.00 0.00 H new ATOM 0 HA ASN A 107 13.531 16.423 8.377 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.195 17.297 6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 107 15.189 15.865 6.462 1.00 0.00 H new ATOM 0 HD21 ASN A 107 12.676 17.302 4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 107 12.480 15.939 3.471 1.00 0.00 H new ATOM 1726 N ASP A 108 10.984 15.269 8.000 1.00 0.00 N ATOM 1727 CA ASP A 108 9.543 15.324 7.778 1.00 0.00 C ATOM 1728 C ASP A 108 9.194 14.696 6.432 1.00 0.00 C ATOM 1729 O ASP A 108 8.263 15.132 5.756 1.00 0.00 O ATOM 1730 CB ASP A 108 9.061 16.776 7.808 1.00 0.00 C ATOM 1731 CG ASP A 108 9.842 17.568 8.852 1.00 0.00 C ATOM 1732 OD1 ASP A 108 10.880 18.107 8.504 1.00 0.00 O ATOM 1733 OD2 ASP A 108 9.389 17.628 9.983 1.00 0.00 O ATOM 0 H ASP A 108 11.270 14.715 8.807 1.00 0.00 H new ATOM 0 HA ASP A 108 9.047 14.766 8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 108 9.189 17.230 6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.996 16.809 8.038 1.00 0.00 H new ATOM 1738 N THR A 109 9.952 13.670 6.056 1.00 0.00 N ATOM 1739 CA THR A 109 9.729 12.978 4.788 1.00 0.00 C ATOM 1740 C THR A 109 9.530 11.489 5.021 1.00 0.00 C ATOM 1741 O THR A 109 10.352 10.840 5.667 1.00 0.00 O ATOM 1742 CB THR A 109 10.924 13.188 3.857 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.234 14.573 3.806 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.570 12.691 2.453 1.00 0.00 C ATOM 0 H THR A 109 10.725 13.299 6.609 1.00 0.00 H new ATOM 0 HA THR A 109 8.831 13.390 4.327 1.00 0.00 H new ATOM 0 HB THR A 109 11.784 12.632 4.230 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.091 14.973 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.421 12.840 1.789 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.323 11.630 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.713 13.248 2.075 1.00 0.00 H new ATOM 1752 N LEU A 110 8.440 10.952 4.488 1.00 0.00 N ATOM 1753 CA LEU A 110 8.155 9.533 4.647 1.00 0.00 C ATOM 1754 C LEU A 110 9.031 8.703 3.717 1.00 0.00 C ATOM 1755 O LEU A 110 8.826 8.689 2.498 1.00 0.00 O ATOM 1756 CB LEU A 110 6.680 9.249 4.351 1.00 0.00 C ATOM 1757 CG LEU A 110 6.192 8.068 5.202 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.773 7.693 4.777 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.108 6.855 5.003 1.00 0.00 C ATOM 0 H LEU A 110 7.747 11.470 3.948 1.00 0.00 H new ATOM 0 HA LEU A 110 8.373 9.257 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.081 10.134 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.550 9.024 3.293 1.00 0.00 H new ATOM 0 HG LEU A 110 6.206 8.360 6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.423 6.855 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.112 8.547 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.771 7.410 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.750 6.025 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.102 6.563 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.124 7.113 5.302 1.00 0.00 H new ATOM 1771 N LEU A 111 10.001 8.009 4.304 1.00 0.00 N ATOM 1772 CA LEU A 111 10.906 7.165 3.536 1.00 0.00 C ATOM 1773 C LEU A 111 10.752 5.711 3.955 1.00 0.00 C ATOM 1774 O LEU A 111 11.004 5.346 5.106 1.00 0.00 O ATOM 1775 CB LEU A 111 12.355 7.624 3.726 1.00 0.00 C ATOM 1776 CG LEU A 111 12.472 9.104 3.356 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.917 9.552 3.464 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.040 9.312 1.913 1.00 0.00 C ATOM 0 H LEU A 111 10.179 8.015 5.308 1.00 0.00 H new ATOM 0 HA LEU A 111 10.651 7.253 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.664 7.471 4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.022 7.028 3.103 1.00 0.00 H new ATOM 0 HG LEU A 111 11.840 9.676 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.992 10.607 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.267 9.409 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.532 8.963 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.126 10.368 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 111 12.679 8.725 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.005 8.992 1.793 1.00 0.00 H new ATOM 1790 N VAL A 112 10.323 4.887 3.009 1.00 0.00 N ATOM 1791 CA VAL A 112 10.120 3.461 3.274 1.00 0.00 C ATOM 1792 C VAL A 112 11.019 2.620 2.366 1.00 0.00 C ATOM 1793 O VAL A 112 11.307 3.008 1.235 1.00 0.00 O ATOM 1794 CB VAL A 112 8.643 3.086 3.071 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.005 3.943 1.971 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.526 1.605 2.700 1.00 0.00 C ATOM 0 H VAL A 112 10.108 5.175 2.054 1.00 0.00 H new ATOM 0 HA VAL A 112 10.388 3.255 4.310 1.00 0.00 H new ATOM 0 HB VAL A 112 8.114 3.272 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.960 3.658 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.063 4.995 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.537 3.786 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.476 1.347 2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.074 1.417 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.944 0.995 3.501 1.00 0.00 H new ATOM 1806 N ASN A 113 11.464 1.473 2.863 1.00 0.00 N ATOM 1807 CA ASN A 113 12.326 0.597 2.078 1.00 0.00 C ATOM 1808 C ASN A 113 13.398 1.399 1.345 1.00 0.00 C ATOM 1809 O ASN A 113 13.998 0.913 0.384 1.00 0.00 O ATOM 1810 CB ASN A 113 11.484 -0.171 1.061 1.00 0.00 C ATOM 1811 CG ASN A 113 12.075 -1.559 0.837 1.00 0.00 C ATOM 1812 OD1 ASN A 113 11.310 -2.609 0.958 1.00 0.00 O flip ATOM 1813 ND2 ASN A 113 13.262 -1.689 0.543 1.00 0.00 N flip ATOM 0 H ASN A 113 11.245 1.129 3.798 1.00 0.00 H new ATOM 0 HA ASN A 113 12.818 -0.100 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.457 -0.257 1.417 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.450 0.375 0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.857 -0.866 0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.651 -2.620 0.393 1.00 0.00 H new ATOM 1820 N GLU A 114 13.637 2.623 1.807 1.00 0.00 N ATOM 1821 CA GLU A 114 14.645 3.487 1.195 1.00 0.00 C ATOM 1822 C GLU A 114 14.122 4.110 -0.098 1.00 0.00 C ATOM 1823 O GLU A 114 14.720 3.957 -1.163 1.00 0.00 O ATOM 1824 CB GLU A 114 15.915 2.682 0.906 1.00 0.00 C ATOM 1825 CG GLU A 114 17.127 3.609 0.970 1.00 0.00 C ATOM 1826 CD GLU A 114 18.389 2.838 0.599 1.00 0.00 C ATOM 1827 OE1 GLU A 114 19.194 3.379 -0.140 1.00 0.00 O ATOM 1828 OE2 GLU A 114 18.532 1.718 1.060 1.00 0.00 O ATOM 0 H GLU A 114 13.149 3.039 2.600 1.00 0.00 H new ATOM 0 HA GLU A 114 14.875 4.291 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.021 1.876 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.849 2.218 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.990 4.449 0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.226 4.025 1.973 1.00 0.00 H new ATOM 1835 N LEU A 115 12.998 4.814 0.002 1.00 0.00 N ATOM 1836 CA LEU A 115 12.407 5.451 -1.166 1.00 0.00 C ATOM 1837 C LEU A 115 11.491 6.595 -0.746 1.00 0.00 C ATOM 1838 O LEU A 115 10.857 6.539 0.310 1.00 0.00 O ATOM 1839 CB LEU A 115 11.618 4.410 -1.972 1.00 0.00 C ATOM 1840 CG LEU A 115 10.214 4.245 -1.359 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.227 5.264 -1.949 1.00 0.00 C ATOM 1842 CD2 LEU A 115 9.689 2.833 -1.620 1.00 0.00 C ATOM 0 H LEU A 115 12.484 4.956 0.872 1.00 0.00 H new ATOM 0 HA LEU A 115 13.203 5.861 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.538 4.724 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.144 3.455 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 115 10.298 4.418 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.245 5.123 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.580 6.274 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.155 5.119 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.696 2.727 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.633 2.659 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.363 2.105 -1.169 1.00 0.00 H new ATOM 1854 N LYS A 116 11.438 7.631 -1.571 1.00 0.00 N ATOM 1855 CA LYS A 116 10.614 8.783 -1.281 1.00 0.00 C ATOM 1856 C LYS A 116 9.155 8.521 -1.627 1.00 0.00 C ATOM 1857 O LYS A 116 8.829 8.151 -2.756 1.00 0.00 O ATOM 1858 CB LYS A 116 11.118 9.983 -2.081 1.00 0.00 C ATOM 1859 CG LYS A 116 10.603 11.291 -1.458 1.00 0.00 C ATOM 1860 CD LYS A 116 11.763 12.117 -0.888 1.00 0.00 C ATOM 1861 CE LYS A 116 12.447 12.906 -2.003 1.00 0.00 C ATOM 1862 NZ LYS A 116 13.036 11.976 -3.007 1.00 0.00 N ATOM 0 H LYS A 116 11.959 7.692 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 116 10.680 8.989 -0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.208 9.985 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.782 9.907 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.072 11.873 -2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.888 11.065 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.392 12.800 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 116 12.484 11.459 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.726 13.565 -2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.227 13.541 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.754 12.479 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.479 11.172 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.287 11.627 -3.638 1.00 0.00 H new ATOM 1876 N SER A 117 8.279 8.726 -0.651 1.00 0.00 N ATOM 1877 CA SER A 117 6.855 8.516 -0.868 1.00 0.00 C ATOM 1878 C SER A 117 6.253 9.665 -1.674 1.00 0.00 C ATOM 1879 O SER A 117 6.839 10.743 -1.770 1.00 0.00 O ATOM 1880 CB SER A 117 6.140 8.405 0.477 1.00 0.00 C ATOM 1881 OG SER A 117 6.802 7.437 1.280 1.00 0.00 O ATOM 0 H SER A 117 8.527 9.034 0.289 1.00 0.00 H new ATOM 0 HA SER A 117 6.725 7.592 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.136 9.372 0.981 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.099 8.119 0.326 1.00 0.00 H new ATOM 0 HG SER A 117 7.643 7.811 1.617 1.00 0.00 H new ATOM 1887 N LYS A 118 5.081 9.419 -2.253 1.00 0.00 N ATOM 1888 CA LYS A 118 4.400 10.430 -3.052 1.00 0.00 C ATOM 1889 C LYS A 118 3.343 11.149 -2.222 1.00 0.00 C ATOM 1890 O LYS A 118 3.285 12.379 -2.205 1.00 0.00 O ATOM 1891 CB LYS A 118 3.733 9.769 -4.258 1.00 0.00 C ATOM 1892 CG LYS A 118 4.660 9.869 -5.469 1.00 0.00 C ATOM 1893 CD LYS A 118 4.557 11.267 -6.089 1.00 0.00 C ATOM 1894 CE LYS A 118 5.954 11.778 -6.444 1.00 0.00 C ATOM 1895 NZ LYS A 118 5.839 12.870 -7.453 1.00 0.00 N ATOM 0 H LYS A 118 4.585 8.530 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 118 5.137 11.158 -3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.514 8.724 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 118 2.782 10.255 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.689 9.670 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.391 9.113 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 118 3.934 11.234 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.076 11.951 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.457 12.145 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.561 10.964 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.788 13.219 -7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.375 12.504 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.274 13.649 -7.059 1.00 0.00 H new ATOM 1909 N GLU A 119 2.508 10.377 -1.535 1.00 0.00 N ATOM 1910 CA GLU A 119 1.458 10.965 -0.708 1.00 0.00 C ATOM 1911 C GLU A 119 0.922 9.946 0.289 1.00 0.00 C ATOM 1912 O GLU A 119 0.374 8.912 -0.092 1.00 0.00 O ATOM 1913 CB GLU A 119 0.315 11.468 -1.595 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.870 11.873 -0.718 1.00 0.00 C ATOM 1915 CD GLU A 119 -1.755 12.871 -1.457 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -2.313 12.496 -2.476 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -1.864 13.995 -0.994 1.00 0.00 O ATOM 0 H GLU A 119 2.535 9.357 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 119 1.885 11.802 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.649 12.319 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.014 10.689 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.451 10.991 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.510 12.314 0.212 1.00 0.00 H new ATOM 1924 N SER A 120 1.085 10.237 1.570 1.00 0.00 N ATOM 1925 CA SER A 120 0.613 9.328 2.604 1.00 0.00 C ATOM 1926 C SER A 120 0.151 10.099 3.829 1.00 0.00 C ATOM 1927 O SER A 120 0.295 11.320 3.888 1.00 0.00 O ATOM 1928 CB SER A 120 1.738 8.372 2.998 1.00 0.00 C ATOM 1929 OG SER A 120 1.260 7.464 3.982 1.00 0.00 O ATOM 0 H SER A 120 1.535 11.084 1.916 1.00 0.00 H new ATOM 0 HA SER A 120 -0.231 8.763 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.090 7.826 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.588 8.933 3.387 1.00 0.00 H new ATOM 0 HG SER A 120 2.012 6.956 4.351 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.408 9.376 4.802 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.892 9.998 6.036 1.00 0.00 C ATOM 1937 C ASP A 121 -2.304 10.528 5.843 1.00 0.00 C ATOM 1938 O ASP A 121 -2.817 11.279 6.673 1.00 0.00 O ATOM 1939 CB ASP A 121 0.026 11.150 6.453 1.00 0.00 C ATOM 1940 CG ASP A 121 0.038 11.292 7.970 1.00 0.00 C ATOM 1941 OD1 ASP A 121 1.035 10.924 8.571 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -0.946 11.769 8.509 1.00 0.00 O ATOM 0 H ASP A 121 -0.536 8.365 4.760 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.894 9.239 6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.037 10.968 6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -0.314 12.079 5.996 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.924 10.123 4.746 1.00 0.00 N ATOM 1948 CA ILE A 122 -4.281 10.551 4.445 1.00 0.00 C ATOM 1949 C ILE A 122 -5.259 9.801 5.338 1.00 0.00 C ATOM 1950 O ILE A 122 -5.334 8.576 5.302 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.632 10.279 2.976 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.385 9.899 2.157 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.279 11.507 2.349 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.423 11.091 2.066 1.00 0.00 C ATOM 0 H ILE A 122 -2.511 9.501 4.051 1.00 0.00 H new ATOM 0 HA ILE A 122 -4.350 11.624 4.627 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.330 9.442 2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.881 9.051 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.681 9.585 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.522 11.298 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.191 11.755 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.587 12.348 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.546 10.807 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -2.925 11.928 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -2.113 11.386 3.069 1.00 0.00 H new ATOM 1966 N MET A 123 -5.993 10.550 6.138 1.00 0.00 N ATOM 1967 CA MET A 123 -6.964 9.969 7.063 1.00 0.00 C ATOM 1968 C MET A 123 -8.187 9.460 6.317 1.00 0.00 C ATOM 1969 O MET A 123 -8.791 10.183 5.524 1.00 0.00 O ATOM 1970 CB MET A 123 -7.399 11.018 8.093 1.00 0.00 C ATOM 1971 CG MET A 123 -7.159 10.494 9.509 1.00 0.00 C ATOM 1972 SD MET A 123 -8.245 9.081 9.813 1.00 0.00 S ATOM 1973 CE MET A 123 -6.957 7.903 10.282 1.00 0.00 C ATOM 0 H MET A 123 -5.939 11.568 6.170 1.00 0.00 H new ATOM 0 HA MET A 123 -6.488 9.130 7.570 1.00 0.00 H new ATOM 0 HB2 MET A 123 -6.842 11.942 7.940 1.00 0.00 H new ATOM 0 HB3 MET A 123 -8.454 11.255 7.959 1.00 0.00 H new ATOM 0 HG2 MET A 123 -6.117 10.199 9.628 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.353 11.280 10.238 1.00 0.00 H new ATOM 0 HE1 MET A 123 -7.404 6.923 10.448 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.218 7.835 9.484 1.00 0.00 H new ATOM 0 HE3 MET A 123 -6.471 8.240 11.198 1.00 0.00 H new ATOM 1983 N THR A 124 -8.545 8.209 6.583 1.00 0.00 N ATOM 1984 CA THR A 124 -9.702 7.596 5.940 1.00 0.00 C ATOM 1985 C THR A 124 -10.647 7.007 6.983 1.00 0.00 C ATOM 1986 O THR A 124 -10.355 7.024 8.179 1.00 0.00 O ATOM 1987 CB THR A 124 -9.242 6.492 4.987 1.00 0.00 C ATOM 1988 OG1 THR A 124 -8.171 5.773 5.583 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.772 7.115 3.672 1.00 0.00 C ATOM 0 H THR A 124 -8.053 7.601 7.237 1.00 0.00 H new ATOM 0 HA THR A 124 -10.233 8.365 5.379 1.00 0.00 H new ATOM 0 HB THR A 124 -10.071 5.813 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.172 5.928 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.444 6.328 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 124 -9.594 7.668 3.217 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.942 7.794 3.867 1.00 0.00 H new ATOM 1997 N THR A 125 -11.778 6.489 6.519 1.00 0.00 N ATOM 1998 CA THR A 125 -12.763 5.898 7.419 1.00 0.00 C ATOM 1999 C THR A 125 -12.417 4.442 7.714 1.00 0.00 C ATOM 2000 O THR A 125 -13.089 3.786 8.510 1.00 0.00 O ATOM 2001 CB THR A 125 -14.155 5.976 6.790 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.188 5.181 5.612 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.472 7.429 6.435 1.00 0.00 C ATOM 0 H THR A 125 -12.035 6.466 5.532 1.00 0.00 H new ATOM 0 HA THR A 125 -12.754 6.457 8.355 1.00 0.00 H new ATOM 0 HB THR A 125 -14.896 5.605 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.020 4.244 5.845 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.464 7.486 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 125 -14.447 8.038 7.339 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.732 7.800 5.726 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.367 3.947 7.065 1.00 0.00 N ATOM 2012 CA ASN A 126 -10.934 2.564 7.257 1.00 0.00 C ATOM 2013 C ASN A 126 -9.496 2.518 7.758 1.00 0.00 C ATOM 2014 O ASN A 126 -8.950 1.444 8.014 1.00 0.00 O ATOM 2015 CB ASN A 126 -11.036 1.805 5.940 1.00 0.00 C ATOM 2016 CG ASN A 126 -10.273 2.559 4.860 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -10.847 3.554 4.243 1.00 0.00 O flip ATOM 2018 ND2 ASN A 126 -9.122 2.232 4.570 1.00 0.00 N flip ATOM 0 H ASN A 126 -10.801 4.479 6.404 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.581 2.099 8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.629 0.801 6.054 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -12.081 1.694 5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -8.676 1.453 5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -8.615 2.740 3.845 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.885 3.685 7.892 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.508 3.756 8.373 1.00 0.00 C ATOM 2027 C GLY A 127 -6.761 4.922 7.744 1.00 0.00 C ATOM 2028 O GLY A 127 -7.227 6.063 7.779 1.00 0.00 O ATOM 0 H GLY A 127 -9.311 4.587 7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.505 3.862 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -6.992 2.824 8.143 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.599 4.628 7.172 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.794 5.659 6.533 1.00 0.00 C ATOM 2034 C VAL A 128 -4.283 5.177 5.186 1.00 0.00 C ATOM 2035 O VAL A 128 -4.027 3.981 4.991 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.616 6.046 7.431 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.397 5.182 7.108 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -3.264 7.520 7.213 1.00 0.00 C ATOM 0 H VAL A 128 -5.197 3.691 7.138 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.422 6.536 6.375 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.901 5.886 8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.567 5.468 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.641 4.133 7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.113 5.329 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.425 7.792 7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.990 7.678 6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.126 8.140 7.460 1.00 0.00 H new ATOM 2048 N ILE A 129 -4.144 6.113 4.259 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.675 5.777 2.931 1.00 0.00 C ATOM 2050 C ILE A 129 -2.192 6.091 2.773 1.00 0.00 C ATOM 2051 O ILE A 129 -1.681 7.065 3.347 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.471 6.562 1.882 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.834 5.899 1.662 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.703 6.580 0.557 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.761 6.876 0.936 1.00 0.00 C ATOM 0 H ILE A 129 -4.348 7.102 4.403 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.821 4.707 2.785 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.614 7.583 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.717 4.987 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.269 5.610 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.272 7.139 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.734 7.056 0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.556 5.558 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.732 6.407 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.886 7.775 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.326 7.143 -0.027 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.508 5.274 1.973 1.00 0.00 N ATOM 2068 CA HIS A 130 -0.089 5.491 1.721 1.00 0.00 C ATOM 2069 C HIS A 130 0.215 5.267 0.246 1.00 0.00 C ATOM 2070 O HIS A 130 0.146 4.144 -0.249 1.00 0.00 O ATOM 2071 CB HIS A 130 0.752 4.554 2.591 1.00 0.00 C ATOM 2072 CG HIS A 130 2.216 4.912 2.515 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.065 4.689 3.586 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.009 5.443 1.518 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.299 5.071 3.216 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.320 5.540 1.969 1.00 0.00 N ATOM 0 H HIS A 130 -1.909 4.467 1.495 1.00 0.00 H new ATOM 0 HA HIS A 130 0.165 6.519 1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.413 4.611 3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.609 3.524 2.265 1.00 0.00 H new ATOM 0 HD1 HIS A 130 2.801 4.304 4.493 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.664 5.738 0.538 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.169 5.006 3.853 1.00 0.00 H new ATOM 2085 N VAL A 131 0.563 6.353 -0.440 1.00 0.00 N ATOM 2086 CA VAL A 131 0.891 6.283 -1.861 1.00 0.00 C ATOM 2087 C VAL A 131 2.393 6.358 -2.058 1.00 0.00 C ATOM 2088 O VAL A 131 3.017 7.372 -1.741 1.00 0.00 O ATOM 2089 CB VAL A 131 0.230 7.429 -2.632 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.497 7.256 -4.128 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.277 7.418 -2.386 1.00 0.00 C ATOM 0 H VAL A 131 0.625 7.288 -0.037 1.00 0.00 H new ATOM 0 HA VAL A 131 0.516 5.333 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 131 0.645 8.377 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.027 8.071 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.572 7.268 -4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.083 6.305 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.742 8.236 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.694 6.469 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.473 7.541 -1.321 1.00 0.00 H new ATOM 2101 N VAL A 132 2.960 5.282 -2.591 1.00 0.00 N ATOM 2102 CA VAL A 132 4.398 5.236 -2.840 1.00 0.00 C ATOM 2103 C VAL A 132 4.682 5.228 -4.337 1.00 0.00 C ATOM 2104 O VAL A 132 3.769 5.067 -5.147 1.00 0.00 O ATOM 2105 CB VAL A 132 5.011 3.992 -2.194 1.00 0.00 C ATOM 2106 CG1 VAL A 132 4.835 4.055 -0.676 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.318 2.744 -2.735 1.00 0.00 C ATOM 0 H VAL A 132 2.454 4.438 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 132 4.848 6.126 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 132 6.074 3.952 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.273 3.166 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.333 4.944 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.773 4.100 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.754 1.857 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.254 2.788 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.450 2.694 -3.816 1.00 0.00 H new ATOM 2117 N ASP A 133 5.952 5.410 -4.695 1.00 0.00 N ATOM 2118 CA ASP A 133 6.348 5.430 -6.100 1.00 0.00 C ATOM 2119 C ASP A 133 7.257 4.251 -6.430 1.00 0.00 C ATOM 2120 O ASP A 133 8.180 4.371 -7.235 1.00 0.00 O ATOM 2121 CB ASP A 133 7.073 6.733 -6.416 1.00 0.00 C ATOM 2122 CG ASP A 133 6.687 7.223 -7.807 1.00 0.00 C ATOM 2123 OD1 ASP A 133 6.613 8.426 -7.991 1.00 0.00 O ATOM 2124 OD2 ASP A 133 6.470 6.386 -8.669 1.00 0.00 O ATOM 0 H ASP A 133 6.719 5.545 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 133 5.446 5.353 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.820 7.489 -5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.151 6.581 -6.362 1.00 0.00 H new ATOM 2129 N LYS A 134 6.975 3.102 -5.820 1.00 0.00 N ATOM 2130 CA LYS A 134 7.759 1.896 -6.074 1.00 0.00 C ATOM 2131 C LYS A 134 7.115 0.690 -5.402 1.00 0.00 C ATOM 2132 O LYS A 134 6.576 0.797 -4.301 1.00 0.00 O ATOM 2133 CB LYS A 134 9.169 2.079 -5.546 1.00 0.00 C ATOM 2134 CG LYS A 134 10.072 0.970 -6.094 1.00 0.00 C ATOM 2135 CD LYS A 134 11.369 0.913 -5.282 1.00 0.00 C ATOM 2136 CE LYS A 134 11.205 -0.043 -4.093 1.00 0.00 C ATOM 2137 NZ LYS A 134 12.502 -0.139 -3.361 1.00 0.00 N ATOM 0 H LYS A 134 6.215 2.981 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 134 7.792 1.723 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.555 3.055 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.166 2.054 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.557 0.010 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.297 1.156 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.190 0.579 -5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.627 1.910 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.422 0.318 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.897 -1.028 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.398 -0.786 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.236 -0.501 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.777 0.803 -3.017 1.00 0.00 H new ATOM 2151 N LEU A 135 7.180 -0.459 -6.066 1.00 0.00 N ATOM 2152 CA LEU A 135 6.603 -1.677 -5.513 1.00 0.00 C ATOM 2153 C LEU A 135 7.535 -2.270 -4.462 1.00 0.00 C ATOM 2154 O LEU A 135 8.745 -2.369 -4.670 1.00 0.00 O ATOM 2155 CB LEU A 135 6.366 -2.700 -6.631 1.00 0.00 C ATOM 2156 CG LEU A 135 5.594 -3.919 -6.088 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.106 -3.586 -5.910 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.735 -5.079 -7.075 1.00 0.00 C ATOM 0 H LEU A 135 7.622 -0.572 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 135 5.650 -1.431 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.804 -2.238 -7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.321 -3.022 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 135 6.008 -4.193 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.581 -4.461 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.000 -2.761 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.680 -3.300 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.192 -5.945 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.325 -4.786 -8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.789 -5.333 -7.190 1.00 0.00 H new ATOM 2170 N LEU A 136 6.956 -2.674 -3.340 1.00 0.00 N ATOM 2171 CA LEU A 136 7.737 -3.270 -2.262 1.00 0.00 C ATOM 2172 C LEU A 136 7.750 -4.786 -2.409 1.00 0.00 C ATOM 2173 O LEU A 136 6.752 -5.453 -2.137 1.00 0.00 O ATOM 2174 CB LEU A 136 7.140 -2.890 -0.904 1.00 0.00 C ATOM 2175 CG LEU A 136 6.838 -1.389 -0.873 1.00 0.00 C ATOM 2176 CD1 LEU A 136 6.413 -0.979 0.537 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.089 -0.605 -1.273 1.00 0.00 C ATOM 0 H LEU A 136 5.956 -2.601 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 136 8.758 -2.893 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.227 -3.458 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.836 -3.147 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 136 6.032 -1.171 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.199 0.090 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.519 -1.533 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.218 -1.200 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.872 0.463 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.896 -0.826 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.392 -0.892 -2.280 1.00 0.00 H new