USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 731 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 Single : A 1 GLY N :NH3+ -115:sc= 0.0662 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -136:sc= 0.0344 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 155:sc= 0.469 (180deg=-0.0104) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= -0.0607 (180deg=-0.926) USER MOD Single : A 26 SER OG : rot -179:sc= -5.77! USER MOD Single : A 30 SER OG : rot 66:sc= 0.103 USER MOD Single : A 34 THR OG1 : rot 170:sc= 1.43 USER MOD Single : A 39 ASN : amide:sc= -0.365 X(o=-0.36,f=0) USER MOD Single : A 40 MET CE :methyl 169:sc= -0.869 (180deg=-1.1) USER MOD Single : A 41 MET CE :methyl 169:sc= 0 (180deg=-0.154) USER MOD Single : A 42 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.72) USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= 0.355 (180deg=0.0193) USER MOD Single : A 49 SER OG : rot -40:sc= -0.224 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.68! C(o=-6.1!,f=-3.7!) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0278 F(o=-0.64,f=-0.028) USER MOD Single : A 59 MET CE :methyl -123:sc= -2.47 (180deg=-3.72!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -4.18! C(o=-4.2!,f=-9.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00881 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 30:sc= -0.909 USER MOD Single : A 74 CYS SG : rot 74:sc= 0.88 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.2!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.578 USER MOD Single : A 88 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.557) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.036 F(o=-3.7!,f=-0.036) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.670 4.967 -12.765 1.00 0.00 N ATOM 2 CA GLY A 1 -18.711 4.277 -11.489 1.00 0.00 C ATOM 3 C GLY A 1 -18.847 5.231 -10.318 1.00 0.00 C ATOM 4 O GLY A 1 -18.708 6.444 -10.477 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.510 4.714 -13.324 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.658 5.994 -12.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.812 4.688 -13.283 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.548 3.579 -11.484 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.803 3.687 -11.369 1.00 0.00 H new ATOM 8 N SER A 2 -19.123 4.683 -9.139 1.00 0.00 N ATOM 9 CA SER A 2 -19.283 5.494 -7.938 1.00 0.00 C ATOM 10 C SER A 2 -18.001 6.257 -7.622 1.00 0.00 C ATOM 11 O SER A 2 -18.028 7.461 -7.369 1.00 0.00 O ATOM 12 CB SER A 2 -19.671 4.612 -6.750 1.00 0.00 C ATOM 13 OG SER A 2 -19.987 5.397 -5.613 1.00 0.00 O ATOM 0 H SER A 2 -19.240 3.681 -8.990 1.00 0.00 H new ATOM 0 HA SER A 2 -20.079 6.216 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.527 3.993 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.850 3.936 -6.512 1.00 0.00 H new ATOM 0 HG SER A 2 -20.233 4.810 -4.868 1.00 0.00 H new ATOM 19 N SER A 3 -16.877 5.546 -7.639 1.00 0.00 N ATOM 20 CA SER A 3 -15.584 6.155 -7.351 1.00 0.00 C ATOM 21 C SER A 3 -14.968 6.746 -8.615 1.00 0.00 C ATOM 22 O SER A 3 -14.715 7.947 -8.693 1.00 0.00 O ATOM 23 CB SER A 3 -14.635 5.121 -6.742 1.00 0.00 C ATOM 24 OG SER A 3 -13.529 5.749 -6.117 1.00 0.00 O ATOM 0 H SER A 3 -16.836 4.549 -7.849 1.00 0.00 H new ATOM 0 HA SER A 3 -15.741 6.961 -6.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.172 4.515 -6.013 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.281 4.445 -7.520 1.00 0.00 H new ATOM 0 HG SER A 3 -12.939 5.067 -5.734 1.00 0.00 H new ATOM 30 N GLY A 4 -14.728 5.890 -9.605 1.00 0.00 N ATOM 31 CA GLY A 4 -14.143 6.345 -10.853 1.00 0.00 C ATOM 32 C GLY A 4 -12.672 5.997 -10.964 1.00 0.00 C ATOM 33 O GLY A 4 -12.201 5.592 -12.027 1.00 0.00 O ATOM 0 H GLY A 4 -14.928 4.891 -9.565 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.683 5.898 -11.688 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.265 7.425 -10.936 1.00 0.00 H new ATOM 37 N SER A 5 -11.942 6.157 -9.864 1.00 0.00 N ATOM 38 CA SER A 5 -10.514 5.862 -9.844 1.00 0.00 C ATOM 39 C SER A 5 -10.268 4.386 -9.547 1.00 0.00 C ATOM 40 O SER A 5 -9.471 4.041 -8.675 1.00 0.00 O ATOM 41 CB SER A 5 -9.808 6.729 -8.800 1.00 0.00 C ATOM 42 OG SER A 5 -8.455 6.956 -9.157 1.00 0.00 O ATOM 0 H SER A 5 -12.316 6.489 -8.975 1.00 0.00 H new ATOM 0 HA SER A 5 -10.107 6.089 -10.830 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.327 7.683 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.854 6.241 -7.826 1.00 0.00 H new ATOM 0 HG SER A 5 -7.886 6.848 -8.367 1.00 0.00 H new ATOM 48 N SER A 6 -10.959 3.518 -10.280 1.00 0.00 N ATOM 49 CA SER A 6 -10.820 2.079 -10.093 1.00 0.00 C ATOM 50 C SER A 6 -9.881 1.484 -11.139 1.00 0.00 C ATOM 51 O SER A 6 -10.310 1.095 -12.224 1.00 0.00 O ATOM 52 CB SER A 6 -12.188 1.398 -10.173 1.00 0.00 C ATOM 53 OG SER A 6 -13.068 1.904 -9.184 1.00 0.00 O ATOM 0 H SER A 6 -11.620 3.787 -11.009 1.00 0.00 H new ATOM 0 HA SER A 6 -10.393 1.905 -9.105 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.619 1.555 -11.162 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.070 0.322 -10.044 1.00 0.00 H new ATOM 0 HG SER A 6 -13.936 1.454 -9.257 1.00 0.00 H new ATOM 59 N GLY A 7 -8.597 1.417 -10.803 1.00 0.00 N ATOM 60 CA GLY A 7 -7.617 0.869 -11.722 1.00 0.00 C ATOM 61 C GLY A 7 -6.196 1.026 -11.216 1.00 0.00 C ATOM 62 O GLY A 7 -5.968 1.145 -10.013 1.00 0.00 O ATOM 0 H GLY A 7 -8.218 1.733 -9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.827 -0.188 -11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.712 1.365 -12.688 1.00 0.00 H new ATOM 66 N ASP A 8 -5.239 1.026 -12.138 1.00 0.00 N ATOM 67 CA ASP A 8 -3.833 1.169 -11.779 1.00 0.00 C ATOM 68 C ASP A 8 -3.577 2.516 -11.110 1.00 0.00 C ATOM 69 O ASP A 8 -3.844 3.569 -11.688 1.00 0.00 O ATOM 70 CB ASP A 8 -2.951 1.026 -13.020 1.00 0.00 C ATOM 71 CG ASP A 8 -3.499 0.014 -14.007 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.198 -1.188 -13.851 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.227 0.424 -14.935 1.00 0.00 O ATOM 0 H ASP A 8 -5.411 0.929 -13.139 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.582 0.379 -11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.860 1.995 -13.511 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.948 0.727 -12.717 1.00 0.00 H new ATOM 78 N VAL A 9 -3.059 2.474 -9.886 1.00 0.00 N ATOM 79 CA VAL A 9 -2.766 3.691 -9.138 1.00 0.00 C ATOM 80 C VAL A 9 -1.271 3.827 -8.873 1.00 0.00 C ATOM 81 O VAL A 9 -0.563 2.832 -8.721 1.00 0.00 O ATOM 82 CB VAL A 9 -3.520 3.718 -7.795 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.962 4.808 -6.892 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.010 3.915 -8.024 1.00 0.00 C ATOM 0 H VAL A 9 -2.834 1.611 -9.392 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.100 4.528 -9.751 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.377 2.758 -7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.507 4.812 -5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.906 4.617 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.073 5.777 -7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.527 3.931 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.177 4.859 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.396 3.096 -8.630 1.00 0.00 H new ATOM 94 N PHE A 10 -0.797 5.067 -8.818 1.00 0.00 N ATOM 95 CA PHE A 10 0.615 5.335 -8.571 1.00 0.00 C ATOM 96 C PHE A 10 0.786 6.430 -7.521 1.00 0.00 C ATOM 97 O PHE A 10 0.495 7.599 -7.776 1.00 0.00 O ATOM 98 CB PHE A 10 1.313 5.745 -9.870 1.00 0.00 C ATOM 99 CG PHE A 10 1.406 4.634 -10.876 1.00 0.00 C ATOM 100 CD1 PHE A 10 0.262 4.098 -11.444 1.00 0.00 C ATOM 101 CD2 PHE A 10 2.639 4.126 -11.254 1.00 0.00 C ATOM 102 CE1 PHE A 10 0.345 3.076 -12.371 1.00 0.00 C ATOM 103 CE2 PHE A 10 2.728 3.105 -12.181 1.00 0.00 C ATOM 104 CZ PHE A 10 1.579 2.578 -12.739 1.00 0.00 C ATOM 0 H PHE A 10 -1.370 5.902 -8.941 1.00 0.00 H new ATOM 0 HA PHE A 10 1.072 4.420 -8.194 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.775 6.582 -10.314 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.317 6.099 -9.637 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.706 4.483 -11.159 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.540 4.533 -10.819 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.555 2.667 -12.807 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.695 2.719 -12.469 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.646 1.778 -13.462 1.00 0.00 H new ATOM 114 N ILE A 11 1.259 6.041 -6.342 1.00 0.00 N ATOM 115 CA ILE A 11 1.469 6.988 -5.254 1.00 0.00 C ATOM 116 C ILE A 11 2.874 7.580 -5.304 1.00 0.00 C ATOM 117 O ILE A 11 3.854 6.901 -4.999 1.00 0.00 O ATOM 118 CB ILE A 11 1.251 6.326 -3.881 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.190 5.827 -3.754 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.579 7.304 -2.763 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.222 6.928 -3.857 1.00 0.00 C ATOM 0 H ILE A 11 1.504 5.077 -6.116 1.00 0.00 H new ATOM 0 HA ILE A 11 0.737 7.785 -5.384 1.00 0.00 H new ATOM 0 HB ILE A 11 1.921 5.470 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.380 5.088 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.307 5.319 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.420 6.821 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.620 7.615 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.932 8.178 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.220 6.501 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.058 7.656 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.132 7.421 -4.825 1.00 0.00 H new ATOM 133 N GLU A 12 2.962 8.849 -5.687 1.00 0.00 N ATOM 134 CA GLU A 12 4.248 9.532 -5.775 1.00 0.00 C ATOM 135 C GLU A 12 4.623 10.160 -4.436 1.00 0.00 C ATOM 136 O GLU A 12 4.010 11.136 -4.002 1.00 0.00 O ATOM 137 CB GLU A 12 4.205 10.608 -6.862 1.00 0.00 C ATOM 138 CG GLU A 12 4.272 10.051 -8.274 1.00 0.00 C ATOM 139 CD GLU A 12 4.929 11.008 -9.249 1.00 0.00 C ATOM 140 OE1 GLU A 12 6.170 11.142 -9.205 1.00 0.00 O ATOM 141 OE2 GLU A 12 4.201 11.624 -10.056 1.00 0.00 O ATOM 0 H GLU A 12 2.160 9.425 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 12 5.006 8.793 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.288 11.187 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.036 11.297 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.825 9.112 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.263 9.823 -8.619 1.00 0.00 H new ATOM 148 N LYS A 13 5.633 9.594 -3.786 1.00 0.00 N ATOM 149 CA LYS A 13 6.092 10.097 -2.496 1.00 0.00 C ATOM 150 C LYS A 13 7.615 10.157 -2.446 1.00 0.00 C ATOM 151 O LYS A 13 8.288 9.885 -3.440 1.00 0.00 O ATOM 152 CB LYS A 13 5.569 9.210 -1.364 1.00 0.00 C ATOM 153 CG LYS A 13 6.290 7.878 -1.251 1.00 0.00 C ATOM 154 CD LYS A 13 6.136 7.276 0.135 1.00 0.00 C ATOM 155 CE LYS A 13 6.725 5.875 0.203 1.00 0.00 C ATOM 156 NZ LYS A 13 5.729 4.835 -0.178 1.00 0.00 N ATOM 0 H LYS A 13 6.150 8.786 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 13 5.702 11.107 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.665 9.746 -0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.506 9.026 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.896 7.186 -1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.348 8.016 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.629 7.915 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.080 7.241 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.588 5.811 -0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.084 5.681 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.225 3.991 -0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.157 4.581 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.108 5.206 -0.925 1.00 0.00 H new ATOM 170 N GLN A 14 8.152 10.512 -1.284 1.00 0.00 N ATOM 171 CA GLN A 14 9.596 10.607 -1.106 1.00 0.00 C ATOM 172 C GLN A 14 10.121 9.432 -0.287 1.00 0.00 C ATOM 173 O GLN A 14 9.412 8.883 0.558 1.00 0.00 O ATOM 174 CB GLN A 14 9.962 11.925 -0.421 1.00 0.00 C ATOM 175 CG GLN A 14 9.748 13.146 -1.300 1.00 0.00 C ATOM 176 CD GLN A 14 10.873 13.354 -2.295 1.00 0.00 C ATOM 177 OE1 GLN A 14 10.790 12.917 -3.444 1.00 0.00 O ATOM 178 NE2 GLN A 14 11.933 14.023 -1.859 1.00 0.00 N ATOM 0 H GLN A 14 7.609 10.739 -0.451 1.00 0.00 H new ATOM 0 HA GLN A 14 10.061 10.577 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.367 12.031 0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.007 11.887 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.806 13.040 -1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.657 14.031 -0.670 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.960 14.367 -0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.721 14.193 -2.484 1.00 0.00 H new ATOM 187 N LYS A 15 11.368 9.050 -0.542 1.00 0.00 N ATOM 188 CA LYS A 15 11.990 7.941 0.172 1.00 0.00 C ATOM 189 C LYS A 15 12.243 8.307 1.631 1.00 0.00 C ATOM 190 O LYS A 15 12.515 9.462 1.953 1.00 0.00 O ATOM 191 CB LYS A 15 13.306 7.548 -0.503 1.00 0.00 C ATOM 192 CG LYS A 15 13.152 7.179 -1.968 1.00 0.00 C ATOM 193 CD LYS A 15 14.463 7.332 -2.722 1.00 0.00 C ATOM 194 CE LYS A 15 14.266 7.171 -4.221 1.00 0.00 C ATOM 195 NZ LYS A 15 13.778 8.427 -4.855 1.00 0.00 N ATOM 0 H LYS A 15 11.968 9.492 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 15 11.306 7.093 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.010 8.376 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.741 6.704 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.802 6.150 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.392 7.812 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.891 8.312 -2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.177 6.590 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.209 6.874 -4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.553 6.368 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.266 8.198 -5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.140 8.921 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.588 9.040 -5.078 1.00 0.00 H new ATOM 209 N GLY A 16 12.153 7.313 2.510 1.00 0.00 N ATOM 210 CA GLY A 16 12.377 7.550 3.924 1.00 0.00 C ATOM 211 C GLY A 16 11.082 7.672 4.703 1.00 0.00 C ATOM 212 O GLY A 16 11.032 7.346 5.888 1.00 0.00 O ATOM 0 H GLY A 16 11.929 6.348 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.970 6.734 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.960 8.463 4.049 1.00 0.00 H new ATOM 216 N GLU A 17 10.034 8.145 4.036 1.00 0.00 N ATOM 217 CA GLU A 17 8.734 8.312 4.676 1.00 0.00 C ATOM 218 C GLU A 17 7.812 7.143 4.345 1.00 0.00 C ATOM 219 O GLU A 17 8.054 6.396 3.397 1.00 0.00 O ATOM 220 CB GLU A 17 8.088 9.627 4.233 1.00 0.00 C ATOM 221 CG GLU A 17 8.112 9.841 2.729 1.00 0.00 C ATOM 222 CD GLU A 17 7.042 10.808 2.260 1.00 0.00 C ATOM 223 OE1 GLU A 17 7.235 12.031 2.423 1.00 0.00 O ATOM 224 OE2 GLU A 17 6.012 10.341 1.731 1.00 0.00 O ATOM 0 H GLU A 17 10.059 8.419 3.054 1.00 0.00 H new ATOM 0 HA GLU A 17 8.888 8.337 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.054 9.648 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.603 10.456 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.091 10.218 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.976 8.883 2.227 1.00 0.00 H new ATOM 231 N ILE A 18 6.753 6.991 5.134 1.00 0.00 N ATOM 232 CA ILE A 18 5.794 5.913 4.926 1.00 0.00 C ATOM 233 C ILE A 18 4.686 6.341 3.970 1.00 0.00 C ATOM 234 O ILE A 18 4.557 7.521 3.639 1.00 0.00 O ATOM 235 CB ILE A 18 5.163 5.456 6.254 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.565 6.652 6.998 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.199 4.753 7.118 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.387 6.290 7.876 1.00 0.00 C ATOM 0 H ILE A 18 6.538 7.601 5.923 1.00 0.00 H new ATOM 0 HA ILE A 18 6.345 5.080 4.490 1.00 0.00 H new ATOM 0 HB ILE A 18 4.362 4.751 6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.339 7.111 7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.250 7.401 6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.738 4.436 8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.583 3.881 6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.020 5.438 7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.014 7.186 8.372 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.595 5.859 7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.702 5.564 8.626 1.00 0.00 H new ATOM 250 N LEU A 19 3.885 5.376 3.531 1.00 0.00 N ATOM 251 CA LEU A 19 2.785 5.653 2.614 1.00 0.00 C ATOM 252 C LEU A 19 1.673 6.426 3.316 1.00 0.00 C ATOM 253 O LEU A 19 0.667 6.781 2.702 1.00 0.00 O ATOM 254 CB LEU A 19 2.231 4.347 2.041 1.00 0.00 C ATOM 255 CG LEU A 19 1.232 4.488 0.893 1.00 0.00 C ATOM 256 CD1 LEU A 19 1.815 5.346 -0.219 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.836 3.119 0.360 1.00 0.00 C ATOM 0 H LEU A 19 3.977 4.395 3.795 1.00 0.00 H new ATOM 0 HA LEU A 19 3.170 6.266 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.069 3.741 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.750 3.794 2.848 1.00 0.00 H new ATOM 0 HG LEU A 19 0.337 4.981 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.090 5.435 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.048 6.337 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.725 4.881 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.124 3.239 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.723 2.600 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.377 2.536 1.159 1.00 0.00 H new ATOM 269 N GLY A 20 1.861 6.684 4.607 1.00 0.00 N ATOM 270 CA GLY A 20 0.867 7.415 5.370 1.00 0.00 C ATOM 271 C GLY A 20 -0.547 6.967 5.059 1.00 0.00 C ATOM 272 O GLY A 20 -1.408 7.784 4.733 1.00 0.00 O ATOM 0 H GLY A 20 2.684 6.400 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.061 7.283 6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.962 8.480 5.159 1.00 0.00 H new ATOM 276 N VAL A 21 -0.789 5.663 5.158 1.00 0.00 N ATOM 277 CA VAL A 21 -2.109 5.107 4.884 1.00 0.00 C ATOM 278 C VAL A 21 -2.345 3.832 5.685 1.00 0.00 C ATOM 279 O VAL A 21 -1.442 3.011 5.846 1.00 0.00 O ATOM 280 CB VAL A 21 -2.288 4.800 3.386 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.687 3.446 3.042 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.760 4.852 3.004 1.00 0.00 C ATOM 0 H VAL A 21 -0.088 4.972 5.426 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.838 5.860 5.183 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.760 5.561 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.823 3.247 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.623 3.450 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.184 2.669 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.868 4.633 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.313 4.114 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.155 5.847 3.211 1.00 0.00 H new ATOM 292 N VAL A 22 -3.566 3.671 6.186 1.00 0.00 N ATOM 293 CA VAL A 22 -3.922 2.494 6.969 1.00 0.00 C ATOM 294 C VAL A 22 -4.813 1.550 6.169 1.00 0.00 C ATOM 295 O VAL A 22 -5.717 1.989 5.456 1.00 0.00 O ATOM 296 CB VAL A 22 -4.646 2.885 8.271 1.00 0.00 C ATOM 297 CG1 VAL A 22 -4.963 1.648 9.098 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.808 3.871 9.071 1.00 0.00 C ATOM 0 H VAL A 22 -4.325 4.341 6.063 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.990 1.986 7.218 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.587 3.370 8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.474 1.944 10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.605 0.981 8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.037 1.132 9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.335 4.136 9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.850 3.415 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.638 4.769 8.477 1.00 0.00 H new ATOM 308 N ILE A 23 -4.552 0.253 6.291 1.00 0.00 N ATOM 309 CA ILE A 23 -5.331 -0.753 5.580 1.00 0.00 C ATOM 310 C ILE A 23 -5.939 -1.762 6.548 1.00 0.00 C ATOM 311 O ILE A 23 -5.454 -1.936 7.666 1.00 0.00 O ATOM 312 CB ILE A 23 -4.471 -1.504 4.547 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.314 -2.226 5.241 1.00 0.00 C ATOM 314 CG2 ILE A 23 -3.945 -0.539 3.494 1.00 0.00 C ATOM 315 CD1 ILE A 23 -2.882 -3.492 4.536 1.00 0.00 C ATOM 0 H ILE A 23 -3.807 -0.126 6.876 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.130 -0.224 5.060 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.093 -2.249 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.462 -1.549 5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.609 -2.471 6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.339 -1.085 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.783 -0.067 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.335 0.227 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.059 -3.950 5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.720 -4.188 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.556 -3.252 3.524 1.00 0.00 H new ATOM 327 N VAL A 24 -7.004 -2.426 6.110 1.00 0.00 N ATOM 328 CA VAL A 24 -7.677 -3.421 6.936 1.00 0.00 C ATOM 329 C VAL A 24 -8.170 -4.592 6.094 1.00 0.00 C ATOM 330 O VAL A 24 -8.020 -4.597 4.873 1.00 0.00 O ATOM 331 CB VAL A 24 -8.872 -2.808 7.691 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.397 -1.742 8.667 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.883 -2.233 6.711 1.00 0.00 C ATOM 0 H VAL A 24 -7.419 -2.293 5.188 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.944 -3.780 7.659 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.362 -3.597 8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.255 -1.320 9.191 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.714 -2.189 9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.881 -0.952 8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.720 -1.804 7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.408 -1.457 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.247 -3.025 6.057 1.00 0.00 H new ATOM 343 N GLU A 25 -8.758 -5.584 6.756 1.00 0.00 N ATOM 344 CA GLU A 25 -9.273 -6.762 6.067 1.00 0.00 C ATOM 345 C GLU A 25 -10.438 -6.392 5.154 1.00 0.00 C ATOM 346 O GLU A 25 -11.352 -5.673 5.556 1.00 0.00 O ATOM 347 CB GLU A 25 -9.719 -7.818 7.080 1.00 0.00 C ATOM 348 CG GLU A 25 -8.785 -7.953 8.271 1.00 0.00 C ATOM 349 CD GLU A 25 -9.173 -7.045 9.422 1.00 0.00 C ATOM 350 OE1 GLU A 25 -9.894 -6.055 9.181 1.00 0.00 O ATOM 351 OE2 GLU A 25 -8.756 -7.327 10.565 1.00 0.00 O ATOM 0 H GLU A 25 -8.889 -5.595 7.767 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.471 -7.173 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.717 -7.566 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.795 -8.782 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.786 -8.988 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.767 -7.722 7.958 1.00 0.00 H new ATOM 358 N SER A 26 -10.397 -6.889 3.922 1.00 0.00 N ATOM 359 CA SER A 26 -11.447 -6.609 2.949 1.00 0.00 C ATOM 360 C SER A 26 -12.484 -7.728 2.930 1.00 0.00 C ATOM 361 O SER A 26 -13.078 -8.022 1.894 1.00 0.00 O ATOM 362 CB SER A 26 -10.845 -6.432 1.554 1.00 0.00 C ATOM 363 OG SER A 26 -10.052 -5.259 1.485 1.00 0.00 O ATOM 0 H SER A 26 -9.648 -7.488 3.574 1.00 0.00 H new ATOM 0 HA SER A 26 -11.943 -5.684 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.236 -7.301 1.304 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.644 -6.379 0.814 1.00 0.00 H new ATOM 0 HG SER A 26 -9.690 -5.161 0.579 1.00 0.00 H new ATOM 369 N GLY A 27 -12.695 -8.350 4.086 1.00 0.00 N ATOM 370 CA GLY A 27 -13.660 -9.430 4.182 1.00 0.00 C ATOM 371 C GLY A 27 -15.089 -8.928 4.240 1.00 0.00 C ATOM 372 O GLY A 27 -16.033 -9.706 4.107 1.00 0.00 O ATOM 0 H GLY A 27 -12.215 -8.125 4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.546 -10.092 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.450 -10.023 5.072 1.00 0.00 H new ATOM 376 N TRP A 28 -15.248 -7.625 4.442 1.00 0.00 N ATOM 377 CA TRP A 28 -16.573 -7.020 4.519 1.00 0.00 C ATOM 378 C TRP A 28 -17.318 -7.171 3.198 1.00 0.00 C ATOM 379 O TRP A 28 -17.163 -6.355 2.290 1.00 0.00 O ATOM 380 CB TRP A 28 -16.460 -5.540 4.889 1.00 0.00 C ATOM 381 CG TRP A 28 -15.439 -5.270 5.953 1.00 0.00 C ATOM 382 CD1 TRP A 28 -14.087 -5.172 5.785 1.00 0.00 C ATOM 383 CD2 TRP A 28 -15.688 -5.067 7.348 1.00 0.00 C ATOM 384 NE1 TRP A 28 -13.481 -4.919 6.992 1.00 0.00 N ATOM 385 CE2 TRP A 28 -14.441 -4.849 7.966 1.00 0.00 C ATOM 386 CE3 TRP A 28 -16.843 -5.045 8.135 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -14.319 -4.614 9.333 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -16.720 -4.812 9.491 1.00 0.00 C ATOM 389 CH2 TRP A 28 -15.466 -4.599 10.079 1.00 0.00 C ATOM 0 H TRP A 28 -14.477 -6.967 4.555 1.00 0.00 H new ATOM 0 HA TRP A 28 -17.137 -7.539 5.294 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -16.204 -4.968 3.997 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -17.432 -5.183 5.229 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -13.570 -5.278 4.842 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -12.478 -4.802 7.139 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -17.814 -5.207 7.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -13.354 -4.449 9.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -17.606 -4.794 10.109 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.404 -4.419 11.142 1.00 0.00 H new ATOM 400 N GLY A 29 -18.129 -8.220 3.096 1.00 0.00 N ATOM 401 CA GLY A 29 -18.887 -8.457 1.881 1.00 0.00 C ATOM 402 C GLY A 29 -18.129 -8.044 0.636 1.00 0.00 C ATOM 403 O GLY A 29 -18.388 -6.984 0.066 1.00 0.00 O ATOM 0 H GLY A 29 -18.275 -8.910 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.140 -9.515 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.827 -7.907 1.930 1.00 0.00 H new ATOM 407 N SER A 30 -17.188 -8.882 0.212 1.00 0.00 N ATOM 408 CA SER A 30 -16.386 -8.595 -0.972 1.00 0.00 C ATOM 409 C SER A 30 -15.973 -9.885 -1.674 1.00 0.00 C ATOM 410 O SER A 30 -15.873 -10.940 -1.048 1.00 0.00 O ATOM 411 CB SER A 30 -15.143 -7.789 -0.589 1.00 0.00 C ATOM 412 OG SER A 30 -15.500 -6.551 0.001 1.00 0.00 O ATOM 0 H SER A 30 -16.962 -9.765 0.671 1.00 0.00 H new ATOM 0 HA SER A 30 -16.994 -8.007 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.533 -8.365 0.107 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.534 -7.611 -1.475 1.00 0.00 H new ATOM 0 HG SER A 30 -15.942 -6.714 0.861 1.00 0.00 H new ATOM 418 N ILE A 31 -15.735 -9.791 -2.978 1.00 0.00 N ATOM 419 CA ILE A 31 -15.333 -10.950 -3.766 1.00 0.00 C ATOM 420 C ILE A 31 -13.897 -11.356 -3.451 1.00 0.00 C ATOM 421 O ILE A 31 -13.638 -12.482 -3.024 1.00 0.00 O ATOM 422 CB ILE A 31 -15.457 -10.675 -5.276 1.00 0.00 C ATOM 423 CG1 ILE A 31 -16.614 -9.710 -5.547 1.00 0.00 C ATOM 424 CG2 ILE A 31 -15.656 -11.977 -6.037 1.00 0.00 C ATOM 425 CD1 ILE A 31 -16.194 -8.257 -5.577 1.00 0.00 C ATOM 0 H ILE A 31 -15.813 -8.925 -3.511 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.006 -11.764 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.533 -10.212 -5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.075 -9.967 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.376 -9.844 -4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -15.742 -11.766 -7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.803 -12.633 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.566 -12.466 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.064 -7.631 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -15.760 -7.984 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -15.455 -8.108 -6.364 1.00 0.00 H new ATOM 437 N LEU A 32 -12.966 -10.432 -3.663 1.00 0.00 N ATOM 438 CA LEU A 32 -11.555 -10.693 -3.400 1.00 0.00 C ATOM 439 C LEU A 32 -11.105 -10.007 -2.114 1.00 0.00 C ATOM 440 O LEU A 32 -10.714 -8.840 -2.108 1.00 0.00 O ATOM 441 CB LEU A 32 -10.700 -10.212 -4.574 1.00 0.00 C ATOM 442 CG LEU A 32 -10.666 -11.128 -5.798 1.00 0.00 C ATOM 443 CD1 LEU A 32 -10.084 -12.485 -5.433 1.00 0.00 C ATOM 444 CD2 LEU A 32 -12.060 -11.284 -6.386 1.00 0.00 C ATOM 0 H LEU A 32 -13.163 -9.496 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.426 -11.769 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.065 -9.234 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.678 -10.073 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.025 -10.672 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.068 -13.123 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.068 -12.357 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.699 -12.949 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.017 -11.939 -7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.724 -11.718 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.440 -10.307 -6.686 1.00 0.00 H new ATOM 456 N PRO A 33 -11.160 -10.748 -0.997 1.00 0.00 N ATOM 457 CA PRO A 33 -10.759 -10.233 0.315 1.00 0.00 C ATOM 458 C PRO A 33 -9.253 -10.013 0.417 1.00 0.00 C ATOM 459 O PRO A 33 -8.509 -10.914 0.805 1.00 0.00 O ATOM 460 CB PRO A 33 -11.205 -11.334 1.280 1.00 0.00 C ATOM 461 CG PRO A 33 -11.223 -12.575 0.456 1.00 0.00 C ATOM 462 CD PRO A 33 -11.616 -12.146 -0.930 1.00 0.00 C ATOM 0 HA PRO A 33 -11.203 -9.259 0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.517 -11.427 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.190 -11.121 1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.245 -13.056 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.933 -13.299 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.138 -12.762 -1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.692 -12.226 -1.085 1.00 0.00 H new ATOM 470 N THR A 34 -8.810 -8.810 0.066 1.00 0.00 N ATOM 471 CA THR A 34 -7.393 -8.473 0.117 1.00 0.00 C ATOM 472 C THR A 34 -7.108 -7.459 1.219 1.00 0.00 C ATOM 473 O THR A 34 -6.586 -7.808 2.278 1.00 0.00 O ATOM 474 CB THR A 34 -6.902 -7.904 -1.228 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.587 -6.681 -1.522 1.00 0.00 O ATOM 476 CG2 THR A 34 -7.130 -8.902 -2.353 1.00 0.00 C ATOM 0 H THR A 34 -9.412 -8.053 -0.257 1.00 0.00 H new ATOM 0 HA THR A 34 -6.856 -9.397 0.330 1.00 0.00 H new ATOM 0 HB THR A 34 -5.832 -7.710 -1.147 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.162 -6.244 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.776 -8.478 -3.293 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.584 -9.821 -2.140 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.194 -9.123 -2.433 1.00 0.00 H new ATOM 484 N VAL A 35 -7.456 -6.202 0.964 1.00 0.00 N ATOM 485 CA VAL A 35 -7.240 -5.137 1.936 1.00 0.00 C ATOM 486 C VAL A 35 -7.812 -3.814 1.439 1.00 0.00 C ATOM 487 O VAL A 35 -7.704 -3.485 0.257 1.00 0.00 O ATOM 488 CB VAL A 35 -5.742 -4.952 2.242 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.321 -5.838 3.405 1.00 0.00 C ATOM 490 CG2 VAL A 35 -4.905 -5.248 1.006 1.00 0.00 C ATOM 0 H VAL A 35 -7.889 -5.896 0.092 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.757 -5.433 2.849 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.573 -3.914 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.260 -5.694 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.898 -5.574 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.503 -6.882 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.849 -5.112 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.077 -6.276 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.189 -4.568 0.203 1.00 0.00 H new ATOM 500 N ILE A 36 -8.420 -3.060 2.348 1.00 0.00 N ATOM 501 CA ILE A 36 -9.008 -1.772 2.001 1.00 0.00 C ATOM 502 C ILE A 36 -8.500 -0.669 2.924 1.00 0.00 C ATOM 503 O ILE A 36 -8.106 -0.930 4.061 1.00 0.00 O ATOM 504 CB ILE A 36 -10.546 -1.817 2.074 1.00 0.00 C ATOM 505 CG1 ILE A 36 -10.997 -2.549 3.339 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.115 -2.492 0.834 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.487 -2.467 3.586 1.00 0.00 C ATOM 0 H ILE A 36 -8.518 -3.318 3.330 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.707 -1.554 0.976 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.923 -0.795 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.706 -3.597 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.471 -2.132 4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.203 -2.516 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.818 -1.933 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.733 -3.510 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.735 -3.008 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.781 -1.423 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.020 -2.911 2.745 1.00 0.00 H new ATOM 519 N ILE A 37 -8.512 0.563 2.427 1.00 0.00 N ATOM 520 CA ILE A 37 -8.055 1.706 3.208 1.00 0.00 C ATOM 521 C ILE A 37 -9.007 1.999 4.362 1.00 0.00 C ATOM 522 O ILE A 37 -10.200 2.219 4.155 1.00 0.00 O ATOM 523 CB ILE A 37 -7.921 2.967 2.334 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.158 2.644 1.048 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.221 4.075 3.107 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.048 2.171 -0.080 1.00 0.00 C ATOM 0 H ILE A 37 -8.833 0.795 1.487 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.075 1.445 3.607 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.919 3.312 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.616 3.532 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.414 1.876 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.134 4.960 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.801 4.320 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.227 3.740 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.440 1.961 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.571 1.265 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.776 2.947 -0.319 1.00 0.00 H new ATOM 538 N ALA A 38 -8.471 2.004 5.578 1.00 0.00 N ATOM 539 CA ALA A 38 -9.272 2.274 6.765 1.00 0.00 C ATOM 540 C ALA A 38 -9.171 3.740 7.173 1.00 0.00 C ATOM 541 O ALA A 38 -10.047 4.265 7.860 1.00 0.00 O ATOM 542 CB ALA A 38 -8.837 1.374 7.912 1.00 0.00 C ATOM 0 H ALA A 38 -7.485 1.824 5.767 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.314 2.061 6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.444 1.587 8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.967 0.330 7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.788 1.559 8.142 1.00 0.00 H new ATOM 548 N ASN A 39 -8.097 4.396 6.745 1.00 0.00 N ATOM 549 CA ASN A 39 -7.882 5.802 7.067 1.00 0.00 C ATOM 550 C ASN A 39 -6.668 6.351 6.323 1.00 0.00 C ATOM 551 O ASN A 39 -5.764 5.602 5.953 1.00 0.00 O ATOM 552 CB ASN A 39 -7.692 5.978 8.575 1.00 0.00 C ATOM 553 CG ASN A 39 -8.176 7.329 9.065 1.00 0.00 C ATOM 554 OD1 ASN A 39 -9.284 7.453 9.586 1.00 0.00 O ATOM 555 ND2 ASN A 39 -7.344 8.351 8.899 1.00 0.00 N ATOM 0 H ASN A 39 -7.363 3.977 6.175 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.763 6.360 6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.231 5.190 9.101 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.637 5.862 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.615 9.284 9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.434 8.202 8.462 1.00 0.00 H new ATOM 562 N MET A 40 -6.655 7.662 6.108 1.00 0.00 N ATOM 563 CA MET A 40 -5.552 8.311 5.410 1.00 0.00 C ATOM 564 C MET A 40 -4.914 9.387 6.283 1.00 0.00 C ATOM 565 O MET A 40 -5.611 10.196 6.896 1.00 0.00 O ATOM 566 CB MET A 40 -6.042 8.927 4.098 1.00 0.00 C ATOM 567 CG MET A 40 -6.161 7.923 2.963 1.00 0.00 C ATOM 568 SD MET A 40 -6.575 8.700 1.390 1.00 0.00 S ATOM 569 CE MET A 40 -8.225 8.058 1.119 1.00 0.00 C ATOM 0 H MET A 40 -7.396 8.296 6.407 1.00 0.00 H new ATOM 0 HA MET A 40 -4.800 7.554 5.189 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.014 9.391 4.265 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.356 9.720 3.800 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.220 7.383 2.861 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.925 7.187 3.213 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.693 8.593 0.293 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.167 6.997 0.877 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.821 8.193 2.022 1.00 0.00 H new ATOM 579 N MET A 41 -3.586 9.390 6.336 1.00 0.00 N ATOM 580 CA MET A 41 -2.855 10.368 7.134 1.00 0.00 C ATOM 581 C MET A 41 -3.311 11.787 6.806 1.00 0.00 C ATOM 582 O MET A 41 -3.703 12.078 5.676 1.00 0.00 O ATOM 583 CB MET A 41 -1.351 10.235 6.890 1.00 0.00 C ATOM 584 CG MET A 41 -0.503 10.642 8.084 1.00 0.00 C ATOM 585 SD MET A 41 -0.823 9.629 9.541 1.00 0.00 S ATOM 586 CE MET A 41 0.280 8.250 9.244 1.00 0.00 C ATOM 0 H MET A 41 -2.994 8.726 5.836 1.00 0.00 H new ATOM 0 HA MET A 41 -3.064 10.171 8.185 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.124 9.201 6.629 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.075 10.849 6.033 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.551 10.567 7.818 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.697 11.687 8.323 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.345 7.636 10.142 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.104 7.648 8.420 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.271 8.625 8.989 1.00 0.00 H new ATOM 596 N HIS A 42 -3.257 12.665 7.803 1.00 0.00 N ATOM 597 CA HIS A 42 -3.665 14.054 7.620 1.00 0.00 C ATOM 598 C HIS A 42 -2.535 14.875 7.007 1.00 0.00 C ATOM 599 O HIS A 42 -2.330 16.033 7.367 1.00 0.00 O ATOM 600 CB HIS A 42 -4.086 14.664 8.957 1.00 0.00 C ATOM 601 CG HIS A 42 -2.936 15.156 9.780 1.00 0.00 C ATOM 602 ND1 HIS A 42 -2.978 16.328 10.506 1.00 0.00 N ATOM 603 CD2 HIS A 42 -1.708 14.628 9.991 1.00 0.00 C ATOM 604 CE1 HIS A 42 -1.824 16.500 11.127 1.00 0.00 C ATOM 605 NE2 HIS A 42 -1.036 15.482 10.831 1.00 0.00 N ATOM 0 H HIS A 42 -2.935 12.440 8.744 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.515 14.071 6.938 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.769 15.493 8.770 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.639 13.919 9.529 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.327 13.706 9.576 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.569 17.331 11.767 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.083 15.351 11.171 1.00 0.00 H new ATOM 614 N GLY A 43 -1.804 14.266 6.078 1.00 0.00 N ATOM 615 CA GLY A 43 -0.703 14.956 5.430 1.00 0.00 C ATOM 616 C GLY A 43 0.324 14.000 4.858 1.00 0.00 C ATOM 617 O GLY A 43 1.518 14.294 4.846 1.00 0.00 O ATOM 0 H GLY A 43 -1.954 13.308 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.093 15.586 4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.219 15.617 6.149 1.00 0.00 H new ATOM 621 N GLY A 44 -0.142 12.848 4.382 1.00 0.00 N ATOM 622 CA GLY A 44 0.759 11.862 3.814 1.00 0.00 C ATOM 623 C GLY A 44 0.675 11.804 2.302 1.00 0.00 C ATOM 624 O GLY A 44 -0.039 12.581 1.668 1.00 0.00 O ATOM 0 H GLY A 44 -1.126 12.581 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.782 12.096 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.525 10.880 4.226 1.00 0.00 H new ATOM 628 N PRO A 45 1.419 10.864 1.700 1.00 0.00 N ATOM 629 CA PRO A 45 1.444 10.686 0.245 1.00 0.00 C ATOM 630 C PRO A 45 0.130 10.129 -0.293 1.00 0.00 C ATOM 631 O PRO A 45 -0.333 10.529 -1.361 1.00 0.00 O ATOM 632 CB PRO A 45 2.579 9.681 0.030 1.00 0.00 C ATOM 633 CG PRO A 45 2.664 8.927 1.312 1.00 0.00 C ATOM 634 CD PRO A 45 2.294 9.904 2.393 1.00 0.00 C ATOM 0 HA PRO A 45 1.588 11.631 -0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.366 9.016 -0.807 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.518 10.186 -0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.986 8.074 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.669 8.535 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.778 9.414 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.174 10.392 2.812 1.00 0.00 H new ATOM 642 N ALA A 46 -0.465 9.205 0.453 1.00 0.00 N ATOM 643 CA ALA A 46 -1.727 8.595 0.052 1.00 0.00 C ATOM 644 C ALA A 46 -2.873 9.598 0.139 1.00 0.00 C ATOM 645 O ALA A 46 -3.738 9.641 -0.735 1.00 0.00 O ATOM 646 CB ALA A 46 -2.022 7.377 0.914 1.00 0.00 C ATOM 0 H ALA A 46 -0.094 8.862 1.339 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.635 8.277 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.967 6.932 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.221 6.647 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.089 7.679 1.959 1.00 0.00 H new ATOM 652 N GLU A 47 -2.872 10.400 1.198 1.00 0.00 N ATOM 653 CA GLU A 47 -3.914 11.401 1.399 1.00 0.00 C ATOM 654 C GLU A 47 -3.813 12.508 0.353 1.00 0.00 C ATOM 655 O GLU A 47 -4.825 13.042 -0.102 1.00 0.00 O ATOM 656 CB GLU A 47 -3.813 12.000 2.803 1.00 0.00 C ATOM 657 CG GLU A 47 -4.715 13.204 3.017 1.00 0.00 C ATOM 658 CD GLU A 47 -6.083 12.822 3.547 1.00 0.00 C ATOM 659 OE1 GLU A 47 -6.775 12.022 2.882 1.00 0.00 O ATOM 660 OE2 GLU A 47 -6.462 13.323 4.626 1.00 0.00 O ATOM 0 H GLU A 47 -2.162 10.377 1.930 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.881 10.909 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.065 11.233 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.780 12.293 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.238 13.891 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.831 13.738 2.074 1.00 0.00 H new ATOM 667 N LYS A 48 -2.585 12.848 -0.023 1.00 0.00 N ATOM 668 CA LYS A 48 -2.350 13.891 -1.015 1.00 0.00 C ATOM 669 C LYS A 48 -2.543 13.351 -2.428 1.00 0.00 C ATOM 670 O LYS A 48 -3.087 14.034 -3.295 1.00 0.00 O ATOM 671 CB LYS A 48 -0.936 14.458 -0.863 1.00 0.00 C ATOM 672 CG LYS A 48 -0.832 15.561 0.176 1.00 0.00 C ATOM 673 CD LYS A 48 0.616 15.910 0.475 1.00 0.00 C ATOM 674 CE LYS A 48 1.204 14.992 1.536 1.00 0.00 C ATOM 675 NZ LYS A 48 2.340 15.631 2.256 1.00 0.00 N ATOM 0 H LYS A 48 -1.737 12.417 0.344 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.075 14.688 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.257 13.650 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.603 14.845 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.355 16.448 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.328 15.246 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.205 15.836 -0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.680 16.945 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.428 14.720 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.544 14.068 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.305 15.369 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.238 15.307 1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.271 16.665 2.165 1.00 0.00 H new ATOM 689 N SER A 49 -2.095 12.120 -2.653 1.00 0.00 N ATOM 690 CA SER A 49 -2.216 11.489 -3.962 1.00 0.00 C ATOM 691 C SER A 49 -3.650 11.575 -4.475 1.00 0.00 C ATOM 692 O SER A 49 -3.890 11.962 -5.618 1.00 0.00 O ATOM 693 CB SER A 49 -1.776 10.025 -3.889 1.00 0.00 C ATOM 694 OG SER A 49 -2.684 9.257 -3.118 1.00 0.00 O ATOM 0 H SER A 49 -1.645 11.540 -1.945 1.00 0.00 H new ATOM 0 HA SER A 49 -1.567 12.022 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.709 9.612 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.780 9.963 -3.452 1.00 0.00 H new ATOM 0 HG SER A 49 -2.968 9.775 -2.336 1.00 0.00 H new ATOM 700 N GLY A 50 -4.601 11.211 -3.620 1.00 0.00 N ATOM 701 CA GLY A 50 -6.000 11.254 -4.004 1.00 0.00 C ATOM 702 C GLY A 50 -6.355 10.188 -5.022 1.00 0.00 C ATOM 703 O GLY A 50 -7.348 10.310 -5.740 1.00 0.00 O ATOM 0 H GLY A 50 -4.428 10.887 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.621 11.126 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.230 12.237 -4.416 1.00 0.00 H new ATOM 707 N LYS A 51 -5.541 9.140 -5.087 1.00 0.00 N ATOM 708 CA LYS A 51 -5.773 8.048 -6.025 1.00 0.00 C ATOM 709 C LYS A 51 -6.726 7.015 -5.432 1.00 0.00 C ATOM 710 O LYS A 51 -7.469 6.353 -6.158 1.00 0.00 O ATOM 711 CB LYS A 51 -4.447 7.380 -6.399 1.00 0.00 C ATOM 712 CG LYS A 51 -3.375 8.360 -6.839 1.00 0.00 C ATOM 713 CD LYS A 51 -3.415 8.593 -8.340 1.00 0.00 C ATOM 714 CE LYS A 51 -4.325 9.758 -8.700 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.395 9.974 -10.171 1.00 0.00 N ATOM 0 H LYS A 51 -4.714 9.024 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.230 8.464 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.081 6.814 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.624 6.664 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.512 9.308 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.394 7.979 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.407 8.791 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.764 7.690 -8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.326 9.570 -8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.962 10.665 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.025 10.776 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.444 10.179 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.766 9.118 -10.630 1.00 0.00 H new ATOM 729 N LEU A 52 -6.700 6.883 -4.111 1.00 0.00 N ATOM 730 CA LEU A 52 -7.564 5.932 -3.420 1.00 0.00 C ATOM 731 C LEU A 52 -8.620 6.656 -2.592 1.00 0.00 C ATOM 732 O LEU A 52 -8.675 7.885 -2.576 1.00 0.00 O ATOM 733 CB LEU A 52 -6.731 5.018 -2.519 1.00 0.00 C ATOM 734 CG LEU A 52 -5.423 5.609 -1.989 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.458 5.880 -3.133 1.00 0.00 C ATOM 736 CD2 LEU A 52 -5.693 6.884 -1.204 1.00 0.00 C ATOM 0 H LEU A 52 -6.090 7.422 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.071 5.327 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.344 4.723 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.497 4.109 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.964 4.883 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.533 6.300 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.239 4.947 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.909 6.587 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.751 7.290 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.174 7.616 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.347 6.661 -0.361 1.00 0.00 H new ATOM 748 N ASN A 53 -9.456 5.886 -1.903 1.00 0.00 N ATOM 749 CA ASN A 53 -10.510 6.455 -1.071 1.00 0.00 C ATOM 750 C ASN A 53 -10.904 5.489 0.043 1.00 0.00 C ATOM 751 O ASN A 53 -10.786 4.273 -0.106 1.00 0.00 O ATOM 752 CB ASN A 53 -11.734 6.794 -1.924 1.00 0.00 C ATOM 753 CG ASN A 53 -11.364 7.160 -3.348 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.753 6.220 -4.060 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.624 8.274 -3.803 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.424 4.867 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.127 7.369 -0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.412 5.941 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.273 7.624 -1.467 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.095 8.966 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.369 8.505 -4.763 1.00 0.00 H new ATOM 762 N ILE A 54 -11.372 6.041 1.158 1.00 0.00 N ATOM 763 CA ILE A 54 -11.785 5.229 2.296 1.00 0.00 C ATOM 764 C ILE A 54 -12.792 4.164 1.875 1.00 0.00 C ATOM 765 O ILE A 54 -13.959 4.464 1.623 1.00 0.00 O ATOM 766 CB ILE A 54 -12.404 6.094 3.409 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.438 7.209 3.816 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.763 5.233 4.611 1.00 0.00 C ATOM 769 CD1 ILE A 54 -10.174 6.703 4.476 1.00 0.00 C ATOM 0 H ILE A 54 -11.474 7.046 1.297 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.887 4.745 2.681 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.317 6.551 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.170 7.787 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.948 7.889 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.199 5.859 5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.483 4.472 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.864 4.751 4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.537 7.548 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.432 6.150 5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.642 6.046 3.788 1.00 0.00 H new ATOM 781 N GLY A 55 -12.333 2.919 1.802 1.00 0.00 N ATOM 782 CA GLY A 55 -13.208 1.827 1.414 1.00 0.00 C ATOM 783 C GLY A 55 -12.668 1.044 0.234 1.00 0.00 C ATOM 784 O GLY A 55 -12.986 -0.133 0.063 1.00 0.00 O ATOM 0 H GLY A 55 -11.371 2.646 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.343 1.155 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.191 2.225 1.163 1.00 0.00 H new ATOM 788 N ASP A 56 -11.850 1.698 -0.584 1.00 0.00 N ATOM 789 CA ASP A 56 -11.265 1.055 -1.755 1.00 0.00 C ATOM 790 C ASP A 56 -10.329 -0.077 -1.343 1.00 0.00 C ATOM 791 O ASP A 56 -9.661 0.002 -0.312 1.00 0.00 O ATOM 792 CB ASP A 56 -10.505 2.080 -2.599 1.00 0.00 C ATOM 793 CG ASP A 56 -11.383 2.725 -3.654 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.596 2.881 -3.401 1.00 0.00 O ATOM 795 OD2 ASP A 56 -10.857 3.075 -4.731 1.00 0.00 O ATOM 0 H ASP A 56 -11.577 2.673 -0.458 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.075 0.634 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.098 2.853 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.659 1.592 -3.083 1.00 0.00 H new ATOM 800 N GLN A 57 -10.287 -1.128 -2.155 1.00 0.00 N ATOM 801 CA GLN A 57 -9.434 -2.277 -1.873 1.00 0.00 C ATOM 802 C GLN A 57 -8.288 -2.363 -2.875 1.00 0.00 C ATOM 803 O GLN A 57 -8.402 -1.887 -4.005 1.00 0.00 O ATOM 804 CB GLN A 57 -10.254 -3.568 -1.905 1.00 0.00 C ATOM 805 CG GLN A 57 -10.290 -4.231 -3.273 1.00 0.00 C ATOM 806 CD GLN A 57 -11.486 -5.147 -3.446 1.00 0.00 C ATOM 807 OE1 GLN A 57 -11.343 -6.394 -3.015 1.00 0.00 O flip ATOM 808 NE2 GLN A 57 -12.527 -4.737 -3.961 1.00 0.00 N flip ATOM 0 H GLN A 57 -10.833 -1.208 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.012 -2.148 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.840 -4.270 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.274 -3.349 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.312 -3.462 -4.045 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.374 -4.804 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.593 -3.770 -4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.324 -5.365 -4.070 1.00 0.00 H new ATOM 817 N ILE A 58 -7.184 -2.972 -2.454 1.00 0.00 N ATOM 818 CA ILE A 58 -6.018 -3.121 -3.315 1.00 0.00 C ATOM 819 C ILE A 58 -5.938 -4.529 -3.894 1.00 0.00 C ATOM 820 O ILE A 58 -5.856 -5.510 -3.156 1.00 0.00 O ATOM 821 CB ILE A 58 -4.714 -2.815 -2.555 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.857 -1.520 -1.753 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.546 -2.717 -3.525 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.657 -1.210 -0.886 1.00 0.00 C ATOM 0 H ILE A 58 -7.073 -3.370 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.132 -2.403 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.516 -3.631 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.021 -0.692 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.743 -1.589 -1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.632 -2.500 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.434 -3.662 -4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.735 -1.918 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.829 -0.278 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.505 -2.020 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.771 -1.108 -1.513 1.00 0.00 H new ATOM 836 N MET A 59 -5.960 -4.621 -5.220 1.00 0.00 N ATOM 837 CA MET A 59 -5.887 -5.909 -5.898 1.00 0.00 C ATOM 838 C MET A 59 -4.479 -6.489 -5.812 1.00 0.00 C ATOM 839 O MET A 59 -4.302 -7.675 -5.535 1.00 0.00 O ATOM 840 CB MET A 59 -6.303 -5.764 -7.363 1.00 0.00 C ATOM 841 CG MET A 59 -7.798 -5.922 -7.589 1.00 0.00 C ATOM 842 SD MET A 59 -8.269 -7.624 -7.956 1.00 0.00 S ATOM 843 CE MET A 59 -8.553 -8.259 -6.306 1.00 0.00 C ATOM 0 H MET A 59 -6.028 -3.818 -5.846 1.00 0.00 H new ATOM 0 HA MET A 59 -6.574 -6.593 -5.400 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.991 -4.785 -7.726 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.773 -6.508 -7.958 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.333 -5.584 -6.702 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.107 -5.278 -8.412 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.916 -9.127 -6.136 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.318 -7.487 -5.573 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.598 -8.550 -6.203 1.00 0.00 H new ATOM 853 N SER A 60 -3.481 -5.646 -6.053 1.00 0.00 N ATOM 854 CA SER A 60 -2.088 -6.076 -6.008 1.00 0.00 C ATOM 855 C SER A 60 -1.171 -4.910 -5.651 1.00 0.00 C ATOM 856 O SER A 60 -1.613 -3.765 -5.555 1.00 0.00 O ATOM 857 CB SER A 60 -1.672 -6.673 -7.353 1.00 0.00 C ATOM 858 OG SER A 60 -1.963 -5.784 -8.418 1.00 0.00 O ATOM 0 H SER A 60 -3.611 -4.660 -6.282 1.00 0.00 H new ATOM 0 HA SER A 60 -1.994 -6.839 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.605 -6.895 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.192 -7.618 -7.511 1.00 0.00 H new ATOM 0 HG SER A 60 -1.686 -6.188 -9.267 1.00 0.00 H new ATOM 864 N ILE A 61 0.109 -5.211 -5.455 1.00 0.00 N ATOM 865 CA ILE A 61 1.089 -4.189 -5.110 1.00 0.00 C ATOM 866 C ILE A 61 2.354 -4.335 -5.949 1.00 0.00 C ATOM 867 O ILE A 61 3.160 -5.236 -5.722 1.00 0.00 O ATOM 868 CB ILE A 61 1.466 -4.251 -3.618 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.298 -3.771 -2.754 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.709 -3.416 -3.350 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.545 -3.918 -1.269 1.00 0.00 C ATOM 0 H ILE A 61 0.491 -6.154 -5.529 1.00 0.00 H new ATOM 0 HA ILE A 61 0.626 -3.225 -5.319 1.00 0.00 H new ATOM 0 HB ILE A 61 1.685 -5.286 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.097 -2.724 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.597 -4.332 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.962 -3.470 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.540 -3.800 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.517 -2.379 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.324 -3.558 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.717 -4.968 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.421 -3.334 -0.986 1.00 0.00 H new ATOM 883 N ASN A 62 2.521 -3.441 -6.918 1.00 0.00 N ATOM 884 CA ASN A 62 3.689 -3.470 -7.790 1.00 0.00 C ATOM 885 C ASN A 62 3.754 -4.779 -8.570 1.00 0.00 C ATOM 886 O ASN A 62 4.831 -5.229 -8.960 1.00 0.00 O ATOM 887 CB ASN A 62 4.969 -3.287 -6.971 1.00 0.00 C ATOM 888 CG ASN A 62 5.173 -1.851 -6.530 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.730 -0.916 -7.197 1.00 0.00 O ATOM 890 ND2 ASN A 62 5.846 -1.669 -5.400 1.00 0.00 N ATOM 0 H ASN A 62 1.863 -2.688 -7.119 1.00 0.00 H new ATOM 0 HA ASN A 62 3.600 -2.648 -8.501 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.931 -3.932 -6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.826 -3.607 -7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.014 -0.725 -5.053 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.195 -2.473 -4.879 1.00 0.00 H new ATOM 897 N GLY A 63 2.593 -5.386 -8.795 1.00 0.00 N ATOM 898 CA GLY A 63 2.539 -6.638 -9.528 1.00 0.00 C ATOM 899 C GLY A 63 2.459 -7.843 -8.612 1.00 0.00 C ATOM 900 O GLY A 63 2.672 -8.976 -9.043 1.00 0.00 O ATOM 0 H GLY A 63 1.688 -5.033 -8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.673 -6.631 -10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.423 -6.724 -10.160 1.00 0.00 H new ATOM 904 N THR A 64 2.151 -7.599 -7.341 1.00 0.00 N ATOM 905 CA THR A 64 2.046 -8.673 -6.361 1.00 0.00 C ATOM 906 C THR A 64 0.619 -8.806 -5.842 1.00 0.00 C ATOM 907 O THR A 64 0.119 -7.927 -5.140 1.00 0.00 O ATOM 908 CB THR A 64 2.994 -8.440 -5.170 1.00 0.00 C ATOM 909 OG1 THR A 64 4.331 -8.238 -5.640 1.00 0.00 O ATOM 910 CG2 THR A 64 2.960 -9.622 -4.213 1.00 0.00 C ATOM 0 H THR A 64 1.970 -6.667 -6.967 1.00 0.00 H new ATOM 0 HA THR A 64 2.332 -9.594 -6.869 1.00 0.00 H new ATOM 0 HB THR A 64 2.660 -7.551 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.927 -8.089 -4.877 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.637 -9.435 -3.380 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.947 -9.754 -3.834 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.272 -10.525 -4.738 1.00 0.00 H new ATOM 918 N SER A 65 -0.033 -9.910 -6.192 1.00 0.00 N ATOM 919 CA SER A 65 -1.405 -10.156 -5.764 1.00 0.00 C ATOM 920 C SER A 65 -1.481 -10.310 -4.248 1.00 0.00 C ATOM 921 O SER A 65 -0.639 -10.968 -3.635 1.00 0.00 O ATOM 922 CB SER A 65 -1.956 -11.411 -6.443 1.00 0.00 C ATOM 923 OG SER A 65 -1.029 -12.480 -6.370 1.00 0.00 O ATOM 0 H SER A 65 0.367 -10.648 -6.771 1.00 0.00 H new ATOM 0 HA SER A 65 -2.010 -9.298 -6.056 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.892 -11.704 -5.967 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.183 -11.193 -7.487 1.00 0.00 H new ATOM 0 HG SER A 65 -1.406 -13.271 -6.810 1.00 0.00 H new ATOM 929 N LEU A 66 -2.497 -9.699 -3.648 1.00 0.00 N ATOM 930 CA LEU A 66 -2.685 -9.767 -2.203 1.00 0.00 C ATOM 931 C LEU A 66 -3.780 -10.766 -1.843 1.00 0.00 C ATOM 932 O LEU A 66 -3.767 -11.355 -0.762 1.00 0.00 O ATOM 933 CB LEU A 66 -3.038 -8.386 -1.649 1.00 0.00 C ATOM 934 CG LEU A 66 -2.176 -7.224 -2.146 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.619 -5.918 -1.503 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.706 -7.490 -1.860 1.00 0.00 C ATOM 0 H LEU A 66 -3.203 -9.151 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.750 -10.103 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.078 -8.172 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.970 -8.424 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.305 -7.136 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.995 -5.103 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.660 -5.721 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.520 -5.994 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.108 -6.653 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.559 -7.605 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.396 -8.403 -2.368 1.00 0.00 H new ATOM 948 N VAL A 67 -4.726 -10.955 -2.757 1.00 0.00 N ATOM 949 CA VAL A 67 -5.827 -11.885 -2.538 1.00 0.00 C ATOM 950 C VAL A 67 -5.347 -13.147 -1.831 1.00 0.00 C ATOM 951 O VAL A 67 -4.491 -13.870 -2.340 1.00 0.00 O ATOM 952 CB VAL A 67 -6.502 -12.279 -3.865 1.00 0.00 C ATOM 953 CG1 VAL A 67 -5.461 -12.469 -4.958 1.00 0.00 C ATOM 954 CG2 VAL A 67 -7.335 -13.539 -3.686 1.00 0.00 C ATOM 0 H VAL A 67 -4.752 -10.476 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.554 -11.372 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.168 -11.471 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.957 -12.747 -5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.912 -11.539 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.767 -13.258 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.805 -13.802 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.692 -14.357 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.106 -13.362 -2.936 1.00 0.00 H new ATOM 964 N GLY A 68 -5.905 -13.408 -0.652 1.00 0.00 N ATOM 965 CA GLY A 68 -5.522 -14.584 0.106 1.00 0.00 C ATOM 966 C GLY A 68 -4.575 -14.257 1.244 1.00 0.00 C ATOM 967 O GLY A 68 -4.703 -14.797 2.343 1.00 0.00 O ATOM 0 H GLY A 68 -6.615 -12.825 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.416 -15.061 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.048 -15.304 -0.561 1.00 0.00 H new ATOM 971 N LEU A 69 -3.621 -13.371 0.981 1.00 0.00 N ATOM 972 CA LEU A 69 -2.646 -12.973 1.991 1.00 0.00 C ATOM 973 C LEU A 69 -3.340 -12.376 3.211 1.00 0.00 C ATOM 974 O LEU A 69 -4.364 -11.701 3.106 1.00 0.00 O ATOM 975 CB LEU A 69 -1.659 -11.962 1.406 1.00 0.00 C ATOM 976 CG LEU A 69 -0.645 -12.516 0.404 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.317 -11.426 -0.039 1.00 0.00 C ATOM 978 CD2 LEU A 69 0.115 -13.688 1.007 1.00 0.00 C ATOM 0 H LEU A 69 -3.502 -12.914 0.077 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.101 -13.863 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.227 -11.171 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.112 -11.501 2.228 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.186 -12.872 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.031 -11.839 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.241 -10.618 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.852 -11.039 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.832 -14.069 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.645 -13.357 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.587 -14.478 1.273 1.00 0.00 H new ATOM 990 N PRO A 70 -2.770 -12.629 4.399 1.00 0.00 N ATOM 991 CA PRO A 70 -3.315 -12.123 5.662 1.00 0.00 C ATOM 992 C PRO A 70 -3.158 -10.612 5.798 1.00 0.00 C ATOM 993 O PRO A 70 -2.308 -10.005 5.145 1.00 0.00 O ATOM 994 CB PRO A 70 -2.480 -12.845 6.723 1.00 0.00 C ATOM 995 CG PRO A 70 -1.197 -13.169 6.039 1.00 0.00 C ATOM 996 CD PRO A 70 -1.549 -13.427 4.600 1.00 0.00 C ATOM 0 HA PRO A 70 -4.386 -12.306 5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.315 -12.212 7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.980 -13.747 7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.489 -12.345 6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.725 -14.043 6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.749 -13.114 3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.726 -14.486 4.413 1.00 0.00 H new ATOM 1004 N LEU A 71 -3.982 -10.011 6.649 1.00 0.00 N ATOM 1005 CA LEU A 71 -3.934 -8.570 6.871 1.00 0.00 C ATOM 1006 C LEU A 71 -2.558 -8.141 7.368 1.00 0.00 C ATOM 1007 O LEU A 71 -2.056 -7.080 6.997 1.00 0.00 O ATOM 1008 CB LEU A 71 -5.006 -8.154 7.880 1.00 0.00 C ATOM 1009 CG LEU A 71 -4.990 -6.686 8.309 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.288 -5.780 7.124 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -5.991 -6.447 9.430 1.00 0.00 C ATOM 0 H LEU A 71 -4.691 -10.499 7.196 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.127 -8.074 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.984 -8.377 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.898 -8.773 8.771 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.994 -6.447 8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.272 -4.740 7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.533 -5.931 6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.272 -6.020 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.966 -5.397 9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.992 -6.704 9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.733 -7.069 10.287 1.00 0.00 H new ATOM 1023 N SER A 72 -1.951 -8.973 8.208 1.00 0.00 N ATOM 1024 CA SER A 72 -0.633 -8.679 8.758 1.00 0.00 C ATOM 1025 C SER A 72 0.416 -8.624 7.652 1.00 0.00 C ATOM 1026 O SER A 72 1.231 -7.701 7.597 1.00 0.00 O ATOM 1027 CB SER A 72 -0.242 -9.735 9.794 1.00 0.00 C ATOM 1028 OG SER A 72 -0.763 -9.411 11.072 1.00 0.00 O ATOM 0 H SER A 72 -2.351 -9.857 8.523 1.00 0.00 H new ATOM 0 HA SER A 72 -0.678 -7.704 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.615 -10.711 9.482 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.844 -9.811 9.849 1.00 0.00 H new ATOM 0 HG SER A 72 -0.501 -10.101 11.717 1.00 0.00 H new ATOM 1034 N THR A 73 0.392 -9.619 6.770 1.00 0.00 N ATOM 1035 CA THR A 73 1.340 -9.686 5.666 1.00 0.00 C ATOM 1036 C THR A 73 1.157 -8.511 4.712 1.00 0.00 C ATOM 1037 O THR A 73 2.079 -7.721 4.501 1.00 0.00 O ATOM 1038 CB THR A 73 1.193 -11.001 4.877 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.664 -12.100 5.665 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.968 -10.937 3.570 1.00 0.00 C ATOM 0 H THR A 73 -0.275 -10.390 6.800 1.00 0.00 H new ATOM 0 HA THR A 73 2.337 -9.644 6.104 1.00 0.00 H new ATOM 0 HB THR A 73 0.137 -11.146 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.526 -11.904 6.615 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.849 -11.877 3.030 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.587 -10.118 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.024 -10.771 3.781 1.00 0.00 H new ATOM 1048 N CYS A 74 -0.036 -8.400 4.140 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.340 -7.320 3.207 1.00 0.00 C ATOM 1050 C CYS A 74 0.227 -5.996 3.707 1.00 0.00 C ATOM 1051 O CYS A 74 0.783 -5.217 2.932 1.00 0.00 O ATOM 1052 CB CYS A 74 -1.851 -7.200 3.009 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.639 -8.709 2.401 1.00 0.00 S ATOM 0 H CYS A 74 -0.809 -9.044 4.305 1.00 0.00 H new ATOM 0 HA CYS A 74 0.126 -7.556 2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.310 -6.920 3.957 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.051 -6.390 2.307 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.691 -9.587 3.358 1.00 0.00 H new ATOM 1059 N GLN A 75 0.082 -5.747 5.004 1.00 0.00 N ATOM 1060 CA GLN A 75 0.578 -4.515 5.606 1.00 0.00 C ATOM 1061 C GLN A 75 2.085 -4.383 5.413 1.00 0.00 C ATOM 1062 O GLN A 75 2.582 -3.320 5.042 1.00 0.00 O ATOM 1063 CB GLN A 75 0.237 -4.477 7.097 1.00 0.00 C ATOM 1064 CG GLN A 75 -1.163 -3.961 7.388 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.427 -3.799 8.872 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -0.622 -4.211 9.707 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.561 -3.195 9.209 1.00 0.00 N ATOM 0 H GLN A 75 -0.375 -6.382 5.659 1.00 0.00 H new ATOM 0 HA GLN A 75 0.092 -3.676 5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.338 -5.481 7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.962 -3.846 7.611 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.303 -3.001 6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.895 -4.649 6.965 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.200 -2.869 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.793 -3.057 10.193 1.00 0.00 H new ATOM 1076 N SER A 76 2.806 -5.470 5.667 1.00 0.00 N ATOM 1077 CA SER A 76 4.258 -5.474 5.526 1.00 0.00 C ATOM 1078 C SER A 76 4.667 -5.053 4.118 1.00 0.00 C ATOM 1079 O SER A 76 5.543 -4.205 3.942 1.00 0.00 O ATOM 1080 CB SER A 76 4.817 -6.864 5.838 1.00 0.00 C ATOM 1081 OG SER A 76 6.136 -6.779 6.350 1.00 0.00 O ATOM 0 H SER A 76 2.409 -6.359 5.971 1.00 0.00 H new ATOM 0 HA SER A 76 4.670 -4.757 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.174 -7.364 6.562 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.813 -7.473 4.934 1.00 0.00 H new ATOM 0 HG SER A 76 6.471 -7.680 6.543 1.00 0.00 H new ATOM 1087 N ILE A 77 4.028 -5.652 3.118 1.00 0.00 N ATOM 1088 CA ILE A 77 4.325 -5.338 1.726 1.00 0.00 C ATOM 1089 C ILE A 77 4.127 -3.853 1.443 1.00 0.00 C ATOM 1090 O ILE A 77 4.855 -3.261 0.645 1.00 0.00 O ATOM 1091 CB ILE A 77 3.441 -6.155 0.765 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.572 -7.650 1.062 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.818 -5.861 -0.680 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.456 -8.483 0.473 1.00 0.00 C ATOM 0 H ILE A 77 3.302 -6.357 3.246 1.00 0.00 H new ATOM 0 HA ILE A 77 5.370 -5.601 1.559 1.00 0.00 H new ATOM 0 HB ILE A 77 2.401 -5.864 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.525 -8.007 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.593 -7.797 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.185 -6.446 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.678 -4.799 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.862 -6.127 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.614 -9.532 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.501 -8.152 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.448 -8.366 -0.611 1.00 0.00 H new ATOM 1106 N ILE A 78 3.141 -3.257 2.103 1.00 0.00 N ATOM 1107 CA ILE A 78 2.850 -1.840 1.924 1.00 0.00 C ATOM 1108 C ILE A 78 3.791 -0.976 2.756 1.00 0.00 C ATOM 1109 O ILE A 78 4.043 0.183 2.426 1.00 0.00 O ATOM 1110 CB ILE A 78 1.395 -1.511 2.309 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.422 -2.212 1.359 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.170 -0.006 2.290 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.965 -2.389 1.937 1.00 0.00 C ATOM 0 H ILE A 78 2.530 -3.733 2.767 1.00 0.00 H new ATOM 0 HA ILE A 78 2.997 -1.619 0.867 1.00 0.00 H new ATOM 0 HB ILE A 78 1.211 -1.874 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.351 -1.638 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.825 -3.190 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.138 0.211 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.843 0.471 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.368 0.379 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.601 -2.893 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.907 -2.989 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.388 -1.413 2.174 1.00 0.00 H new ATOM 1125 N LYS A 79 4.311 -1.548 3.837 1.00 0.00 N ATOM 1126 CA LYS A 79 5.228 -0.833 4.716 1.00 0.00 C ATOM 1127 C LYS A 79 6.645 -0.847 4.152 1.00 0.00 C ATOM 1128 O LYS A 79 7.517 -0.115 4.618 1.00 0.00 O ATOM 1129 CB LYS A 79 5.218 -1.457 6.114 1.00 0.00 C ATOM 1130 CG LYS A 79 3.941 -1.188 6.891 1.00 0.00 C ATOM 1131 CD LYS A 79 3.628 -2.318 7.857 1.00 0.00 C ATOM 1132 CE LYS A 79 4.475 -2.224 9.117 1.00 0.00 C ATOM 1133 NZ LYS A 79 4.051 -3.215 10.145 1.00 0.00 N ATOM 0 H LYS A 79 4.112 -2.506 4.125 1.00 0.00 H new ATOM 0 HA LYS A 79 4.893 0.202 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.358 -2.534 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.066 -1.072 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.040 -0.253 7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.111 -1.062 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.572 -2.288 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.806 -3.276 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.522 -2.389 8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.401 -1.218 9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.652 -3.119 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.059 -3.042 10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.145 -4.177 9.760 1.00 0.00 H new ATOM 1147 N GLY A 80 6.867 -1.685 3.143 1.00 0.00 N ATOM 1148 CA GLY A 80 8.180 -1.777 2.531 1.00 0.00 C ATOM 1149 C GLY A 80 8.336 -0.839 1.351 1.00 0.00 C ATOM 1150 O GLY A 80 9.301 -0.941 0.591 1.00 0.00 O ATOM 0 H GLY A 80 6.162 -2.301 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.942 -1.548 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.353 -2.802 2.202 1.00 0.00 H new ATOM 1154 N LEU A 81 7.386 0.075 1.194 1.00 0.00 N ATOM 1155 CA LEU A 81 7.421 1.035 0.095 1.00 0.00 C ATOM 1156 C LEU A 81 7.986 2.373 0.560 1.00 0.00 C ATOM 1157 O LEU A 81 8.104 3.315 -0.224 1.00 0.00 O ATOM 1158 CB LEU A 81 6.017 1.233 -0.480 1.00 0.00 C ATOM 1159 CG LEU A 81 5.125 -0.008 -0.514 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.773 0.324 -1.127 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.802 -1.130 -1.287 1.00 0.00 C ATOM 0 H LEU A 81 6.581 0.172 1.813 1.00 0.00 H new ATOM 0 HA LEU A 81 8.072 0.637 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.512 2.003 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.113 1.615 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 81 4.964 -0.345 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.151 -0.571 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.283 1.095 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.914 0.686 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.153 -2.005 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.993 -0.804 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.746 -1.386 -0.805 1.00 0.00 H new ATOM 1173 N LYS A 82 8.337 2.450 1.839 1.00 0.00 N ATOM 1174 CA LYS A 82 8.894 3.671 2.408 1.00 0.00 C ATOM 1175 C LYS A 82 10.109 4.137 1.614 1.00 0.00 C ATOM 1176 O LYS A 82 10.275 5.329 1.357 1.00 0.00 O ATOM 1177 CB LYS A 82 9.284 3.445 3.871 1.00 0.00 C ATOM 1178 CG LYS A 82 10.314 4.435 4.386 1.00 0.00 C ATOM 1179 CD LYS A 82 10.830 4.039 5.759 1.00 0.00 C ATOM 1180 CE LYS A 82 9.844 4.417 6.854 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.036 3.596 8.081 1.00 0.00 N ATOM 0 H LYS A 82 8.245 1.680 2.502 1.00 0.00 H new ATOM 0 HA LYS A 82 8.130 4.447 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.390 3.509 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.677 2.434 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.147 4.492 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.871 5.430 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.010 2.964 5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.787 4.528 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.962 5.472 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.826 4.288 6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.345 3.884 8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.898 2.591 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.999 3.738 8.447 1.00 0.00 H new ATOM 1195 N ASN A 83 10.955 3.189 1.225 1.00 0.00 N ATOM 1196 CA ASN A 83 12.155 3.503 0.458 1.00 0.00 C ATOM 1197 C ASN A 83 11.835 3.622 -1.029 1.00 0.00 C ATOM 1198 O ASN A 83 12.715 3.903 -1.842 1.00 0.00 O ATOM 1199 CB ASN A 83 13.222 2.428 0.676 1.00 0.00 C ATOM 1200 CG ASN A 83 14.120 2.736 1.859 1.00 0.00 C ATOM 1201 OD1 ASN A 83 14.980 3.614 1.787 1.00 0.00 O ATOM 1202 ND2 ASN A 83 13.923 2.013 2.955 1.00 0.00 N ATOM 0 H ASN A 83 10.832 2.197 1.428 1.00 0.00 H new ATOM 0 HA ASN A 83 12.538 4.462 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.737 1.465 0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.830 2.336 -0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.496 2.175 3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.198 1.295 2.969 1.00 0.00 H new ATOM 1209 N GLN A 84 10.570 3.407 -1.375 1.00 0.00 N ATOM 1210 CA GLN A 84 10.134 3.491 -2.764 1.00 0.00 C ATOM 1211 C GLN A 84 9.330 4.764 -3.007 1.00 0.00 C ATOM 1212 O GLN A 84 8.162 4.854 -2.627 1.00 0.00 O ATOM 1213 CB GLN A 84 9.294 2.266 -3.132 1.00 0.00 C ATOM 1214 CG GLN A 84 9.973 0.944 -2.808 1.00 0.00 C ATOM 1215 CD GLN A 84 9.563 -0.169 -3.752 1.00 0.00 C ATOM 1216 OE1 GLN A 84 8.832 0.058 -4.717 1.00 0.00 O ATOM 1217 NE2 GLN A 84 10.033 -1.380 -3.479 1.00 0.00 N ATOM 0 H GLN A 84 9.830 3.174 -0.713 1.00 0.00 H new ATOM 0 HA GLN A 84 11.022 3.518 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.342 2.316 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.068 2.297 -4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.054 1.074 -2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.730 0.656 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.636 -1.522 -2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.791 -2.168 -4.080 1.00 0.00 H new ATOM 1226 N SER A 85 9.963 5.746 -3.641 1.00 0.00 N ATOM 1227 CA SER A 85 9.308 7.016 -3.930 1.00 0.00 C ATOM 1228 C SER A 85 8.021 6.796 -4.720 1.00 0.00 C ATOM 1229 O SER A 85 6.931 7.134 -4.259 1.00 0.00 O ATOM 1230 CB SER A 85 10.249 7.933 -4.713 1.00 0.00 C ATOM 1231 OG SER A 85 10.248 7.608 -6.092 1.00 0.00 O ATOM 0 H SER A 85 10.929 5.686 -3.964 1.00 0.00 H new ATOM 0 HA SER A 85 9.056 7.490 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.944 8.971 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.260 7.845 -4.316 1.00 0.00 H new ATOM 0 HG SER A 85 10.856 8.210 -6.570 1.00 0.00 H new ATOM 1237 N ARG A 86 8.157 6.227 -5.913 1.00 0.00 N ATOM 1238 CA ARG A 86 7.006 5.962 -6.769 1.00 0.00 C ATOM 1239 C ARG A 86 6.625 4.485 -6.726 1.00 0.00 C ATOM 1240 O ARG A 86 7.358 3.629 -7.223 1.00 0.00 O ATOM 1241 CB ARG A 86 7.308 6.381 -8.209 1.00 0.00 C ATOM 1242 CG ARG A 86 6.192 6.047 -9.186 1.00 0.00 C ATOM 1243 CD ARG A 86 6.240 6.945 -10.413 1.00 0.00 C ATOM 1244 NE ARG A 86 7.098 6.395 -11.460 1.00 0.00 N ATOM 1245 CZ ARG A 86 8.413 6.580 -11.505 1.00 0.00 C ATOM 1246 NH1 ARG A 86 9.017 7.297 -10.568 1.00 0.00 N ATOM 1247 NH2 ARG A 86 9.125 6.047 -12.490 1.00 0.00 N ATOM 0 H ARG A 86 9.052 5.941 -6.309 1.00 0.00 H new ATOM 0 HA ARG A 86 6.165 6.547 -6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.493 7.455 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.225 5.891 -8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.275 5.004 -9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.228 6.157 -8.690 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.231 7.079 -10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.605 7.931 -10.126 1.00 0.00 H new ATOM 0 HE ARG A 86 6.664 5.839 -12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.472 7.708 -9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.027 7.437 -10.605 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.663 5.495 -13.213 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.134 6.189 -12.524 1.00 0.00 H new ATOM 1261 N VAL A 87 5.474 4.193 -6.129 1.00 0.00 N ATOM 1262 CA VAL A 87 4.996 2.820 -6.022 1.00 0.00 C ATOM 1263 C VAL A 87 3.704 2.625 -6.807 1.00 0.00 C ATOM 1264 O VAL A 87 2.813 3.475 -6.780 1.00 0.00 O ATOM 1265 CB VAL A 87 4.755 2.423 -4.553 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.504 0.927 -4.439 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.934 2.841 -3.688 1.00 0.00 C ATOM 0 H VAL A 87 4.855 4.889 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 87 5.773 2.181 -6.442 1.00 0.00 H new ATOM 0 HB VAL A 87 3.868 2.945 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.336 0.665 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.625 0.660 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.371 0.383 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.747 2.553 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.839 2.348 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.063 3.922 -3.746 1.00 0.00 H new ATOM 1277 N LYS A 88 3.608 1.501 -7.509 1.00 0.00 N ATOM 1278 CA LYS A 88 2.425 1.192 -8.302 1.00 0.00 C ATOM 1279 C LYS A 88 1.539 0.178 -7.586 1.00 0.00 C ATOM 1280 O LYS A 88 2.008 -0.876 -7.154 1.00 0.00 O ATOM 1281 CB LYS A 88 2.832 0.650 -9.674 1.00 0.00 C ATOM 1282 CG LYS A 88 1.661 0.160 -10.507 1.00 0.00 C ATOM 1283 CD LYS A 88 2.125 -0.703 -11.669 1.00 0.00 C ATOM 1284 CE LYS A 88 1.071 -1.730 -12.056 1.00 0.00 C ATOM 1285 NZ LYS A 88 0.096 -1.181 -13.038 1.00 0.00 N ATOM 0 H LYS A 88 4.337 0.788 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 88 1.858 2.113 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.355 1.432 -10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.537 -0.170 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.980 -0.412 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.102 1.014 -10.888 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.350 -0.070 -12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.050 -1.213 -11.398 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.558 -2.608 -12.480 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.540 -2.060 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.835 -1.618 -12.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.020 -0.151 -12.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.421 -1.390 -14.004 1.00 0.00 H new ATOM 1299 N LEU A 89 0.256 0.501 -7.465 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.696 -0.383 -6.802 1.00 0.00 C ATOM 1301 C LEU A 89 -2.048 -0.354 -7.508 1.00 0.00 C ATOM 1302 O LEU A 89 -2.500 0.696 -7.962 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.865 0.023 -5.337 1.00 0.00 C ATOM 1304 CG LEU A 89 0.351 0.674 -4.676 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.074 1.504 -3.475 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.364 -0.384 -4.265 1.00 0.00 C ATOM 0 H LEU A 89 -0.149 1.368 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.304 -1.399 -6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.705 0.714 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.134 -0.864 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 89 0.823 1.338 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.805 1.959 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.761 2.286 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.571 0.863 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.223 0.097 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.903 -1.073 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.693 -0.935 -5.146 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.690 -1.515 -7.594 1.00 0.00 N ATOM 1319 CA ASN A 90 -3.991 -1.623 -8.244 1.00 0.00 C ATOM 1320 C ASN A 90 -5.120 -1.490 -7.225 1.00 0.00 C ATOM 1321 O ASN A 90 -5.224 -2.287 -6.292 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.108 -2.959 -8.980 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.101 -2.903 -10.125 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -6.036 -1.963 -10.052 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -5.027 -3.695 -11.064 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.330 -2.394 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.078 -0.810 -8.965 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.129 -3.246 -9.365 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.413 -3.733 -8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.291 -4.401 -11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.701 -3.645 -11.828 1.00 0.00 H new ATOM 1332 N ILE A 91 -5.962 -0.480 -7.412 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.083 -0.244 -6.511 1.00 0.00 C ATOM 1334 C ILE A 91 -8.410 -0.573 -7.187 1.00 0.00 C ATOM 1335 O ILE A 91 -8.559 -0.407 -8.398 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.116 1.216 -6.023 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.755 1.615 -5.448 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.212 1.403 -4.984 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.427 0.930 -4.140 1.00 0.00 C ATOM 0 H ILE A 91 -5.889 0.188 -8.179 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.942 -0.901 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.334 1.863 -6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.979 1.380 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.735 2.694 -5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.223 2.440 -4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.177 1.154 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.022 0.749 -4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.448 1.260 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.182 1.185 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.414 -0.150 -4.288 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.372 -1.037 -6.396 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.688 -1.386 -6.918 1.00 0.00 C ATOM 1353 C VAL A 92 -11.782 -1.072 -5.903 1.00 0.00 C ATOM 1354 O VAL A 92 -11.905 -1.745 -4.880 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.765 -2.877 -7.295 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.177 -3.248 -7.722 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.765 -3.201 -8.394 1.00 0.00 C ATOM 0 H VAL A 92 -9.265 -1.180 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.843 -0.784 -7.814 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.509 -3.469 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.212 -4.305 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.868 -3.055 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.465 -2.650 -8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.833 -4.259 -8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.987 -2.601 -9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.757 -2.976 -8.047 1.00 0.00 H new ATOM 1367 N SER A 93 -12.574 -0.046 -6.194 1.00 0.00 N ATOM 1368 CA SER A 93 -13.657 0.360 -5.305 1.00 0.00 C ATOM 1369 C SER A 93 -14.313 -0.856 -4.658 1.00 0.00 C ATOM 1370 O SER A 93 -14.924 -1.680 -5.336 1.00 0.00 O ATOM 1371 CB SER A 93 -14.702 1.169 -6.076 1.00 0.00 C ATOM 1372 OG SER A 93 -15.949 1.163 -5.403 1.00 0.00 O ATOM 0 H SER A 93 -12.487 0.520 -7.038 1.00 0.00 H new ATOM 0 HA SER A 93 -13.234 0.984 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.355 2.195 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.823 0.753 -7.076 1.00 0.00 H new ATOM 0 HG SER A 93 -16.599 1.688 -5.915 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.181 -0.960 -3.339 1.00 0.00 N ATOM 1379 CA GLY A 94 -14.766 -2.077 -2.621 1.00 0.00 C ATOM 1380 C GLY A 94 -16.277 -2.114 -2.737 1.00 0.00 C ATOM 1381 O GLY A 94 -16.868 -1.503 -3.627 1.00 0.00 O ATOM 0 H GLY A 94 -13.679 -0.291 -2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.352 -3.009 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.487 -2.015 -1.569 1.00 0.00 H new ATOM 1385 N PRO A 95 -16.927 -2.847 -1.820 1.00 0.00 N ATOM 1386 CA PRO A 95 -18.386 -2.980 -1.803 1.00 0.00 C ATOM 1387 C PRO A 95 -19.082 -1.683 -1.403 1.00 0.00 C ATOM 1388 O PRO A 95 -18.885 -1.178 -0.297 1.00 0.00 O ATOM 1389 CB PRO A 95 -18.631 -4.065 -0.752 1.00 0.00 C ATOM 1390 CG PRO A 95 -17.443 -3.999 0.145 1.00 0.00 C ATOM 1391 CD PRO A 95 -16.286 -3.602 -0.730 1.00 0.00 C ATOM 0 HA PRO A 95 -18.785 -3.224 -2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -19.554 -3.881 -0.201 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.725 -5.048 -1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.596 -3.272 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.260 -4.962 0.622 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.564 -2.991 -0.189 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.749 -4.473 -1.106 1.00 0.00 H new ATOM 1399 N SER A 96 -19.896 -1.150 -2.308 1.00 0.00 N ATOM 1400 CA SER A 96 -20.618 0.090 -2.049 1.00 0.00 C ATOM 1401 C SER A 96 -22.126 -0.143 -2.077 1.00 0.00 C ATOM 1402 O SER A 96 -22.601 -1.136 -2.627 1.00 0.00 O ATOM 1403 CB SER A 96 -20.237 1.152 -3.083 1.00 0.00 C ATOM 1404 OG SER A 96 -20.545 0.720 -4.396 1.00 0.00 O ATOM 0 H SER A 96 -20.072 -1.557 -3.227 1.00 0.00 H new ATOM 0 HA SER A 96 -20.340 0.442 -1.056 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.768 2.080 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.172 1.370 -3.009 1.00 0.00 H new ATOM 0 HG SER A 96 -20.293 1.417 -5.037 1.00 0.00 H new ATOM 1410 N SER A 97 -22.872 0.779 -1.478 1.00 0.00 N ATOM 1411 CA SER A 97 -24.326 0.673 -1.429 1.00 0.00 C ATOM 1412 C SER A 97 -24.981 1.968 -1.901 1.00 0.00 C ATOM 1413 O SER A 97 -24.404 3.048 -1.781 1.00 0.00 O ATOM 1414 CB SER A 97 -24.787 0.343 -0.008 1.00 0.00 C ATOM 1415 OG SER A 97 -26.160 -0.007 0.014 1.00 0.00 O ATOM 0 H SER A 97 -22.494 1.608 -1.020 1.00 0.00 H new ATOM 0 HA SER A 97 -24.630 -0.132 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 97 -24.192 -0.480 0.389 1.00 0.00 H new ATOM 0 HB3 SER A 97 -24.617 1.202 0.642 1.00 0.00 H new ATOM 0 HG SER A 97 -26.430 -0.215 0.933 1.00 0.00 H new ATOM 1421 N GLY A 98 -26.192 1.849 -2.438 1.00 0.00 N ATOM 1422 CA GLY A 98 -26.907 3.017 -2.920 1.00 0.00 C ATOM 1423 C GLY A 98 -27.072 4.078 -1.850 1.00 0.00 C ATOM 1424 O GLY A 98 -28.139 4.678 -1.721 1.00 0.00 O ATOM 0 H GLY A 98 -26.690 0.966 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -26.372 3.442 -3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -27.890 2.714 -3.282 1.00 0.00 H new TER 1428 GLY A 98