USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 36 GLN : amide:sc= -1.01! C(o=-0.41!,f=-4.7!) USER MOD Set 1.2: A 48 ASN : amide:sc= 0.6 K(o=-0.41,f=-6!) USER MOD Set 2.1: A 30 THR OG1 : rot 26:sc= -0.0873 USER MOD Set 2.2: A 32 TYR OH : rot -70:sc= 0.572 USER MOD Set 3.1: A 14 SER OG : rot 180:sc= 0.219 USER MOD Set 3.2: A 113 ASN : amide:sc= 0.666 K(o=0.89,f=0.37) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 45:sc= 0.534 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -150:sc= -1.11 USER MOD Single : A 11 SER OG : rot 180:sc= -1.94! USER MOD Single : A 17 THR OG1 : rot 122:sc= 1.3 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.96) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -84:sc= 1.27 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.22 K(o=1.2,f=-0.11) USER MOD Single : A 62 SER OG : rot 56:sc= 1.31 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -79:sc= 0.887 USER MOD Single : A 81 THR OG1 : rot 124:sc= 1.17 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 120:sc= -0.132 USER MOD Single : A 90 THR OG1 : rot -45:sc= 0.383 USER MOD Single : A 94 GLN : amide:sc= -1.46 K(o=-1.5,f=-2!) USER MOD Single : A 98 SER OG : rot 180:sc=-0.00912 USER MOD Single : A 103 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.2!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.257 5.029 15.875 1.00 0.00 N ATOM 2 CA ALA A 1 -16.798 3.924 15.050 1.00 0.00 C ATOM 3 C ALA A 1 -15.716 2.895 14.749 1.00 0.00 C ATOM 4 O ALA A 1 -14.651 3.236 14.232 1.00 0.00 O ATOM 5 CB ALA A 1 -17.385 4.468 13.759 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.011 5.719 16.068 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.898 4.648 16.773 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.482 5.497 15.363 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.590 3.431 15.614 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.779 3.645 13.163 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.190 5.165 13.991 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.608 4.985 13.195 1.00 0.00 H new ATOM 11 N ALA A 2 -15.992 1.642 15.078 1.00 0.00 N ATOM 12 CA ALA A 2 -15.042 0.562 14.847 1.00 0.00 C ATOM 13 C ALA A 2 -14.995 0.182 13.372 1.00 0.00 C ATOM 14 O ALA A 2 -16.008 -0.212 12.792 1.00 0.00 O ATOM 15 CB ALA A 2 -15.399 -0.645 15.703 1.00 0.00 C ATOM 0 H ALA A 2 -16.869 1.346 15.507 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.050 0.911 15.133 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.681 -1.445 15.521 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.371 -0.365 16.756 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.400 -0.990 15.446 1.00 0.00 H new ATOM 21 N PRO A 3 -13.818 0.308 12.741 1.00 0.00 N ATOM 22 CA PRO A 3 -13.638 -0.018 11.328 1.00 0.00 C ATOM 23 C PRO A 3 -13.466 -1.515 11.083 1.00 0.00 C ATOM 24 O PRO A 3 -13.060 -2.263 11.977 1.00 0.00 O ATOM 25 CB PRO A 3 -12.356 0.725 10.965 1.00 0.00 C ATOM 26 CG PRO A 3 -11.568 0.749 12.229 1.00 0.00 C ATOM 27 CD PRO A 3 -12.567 0.789 13.360 1.00 0.00 C ATOM 0 HA PRO A 3 -14.506 0.265 10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.814 0.215 10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.569 1.734 10.611 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.931 -0.133 12.305 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.912 1.619 12.260 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.259 0.151 14.188 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.680 1.797 13.759 1.00 0.00 H new ATOM 35 N THR A 4 -13.763 -1.943 9.870 1.00 0.00 N ATOM 36 CA THR A 4 -13.644 -3.341 9.502 1.00 0.00 C ATOM 37 C THR A 4 -12.619 -3.514 8.383 1.00 0.00 C ATOM 38 O THR A 4 -12.966 -3.561 7.204 1.00 0.00 O ATOM 39 CB THR A 4 -15.001 -3.901 9.047 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.055 -3.250 9.773 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.074 -5.405 9.273 1.00 0.00 C ATOM 0 H THR A 4 -14.091 -1.337 9.118 1.00 0.00 H new ATOM 0 HA THR A 4 -13.311 -3.892 10.381 1.00 0.00 H new ATOM 0 HB THR A 4 -15.114 -3.710 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.921 -3.605 9.482 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.044 -5.776 8.943 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.285 -5.897 8.705 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.945 -5.620 10.334 1.00 0.00 H new ATOM 49 N ALA A 5 -11.350 -3.586 8.757 1.00 0.00 N ATOM 50 CA ALA A 5 -10.280 -3.745 7.785 1.00 0.00 C ATOM 51 C ALA A 5 -9.999 -5.220 7.526 1.00 0.00 C ATOM 52 O ALA A 5 -9.397 -5.905 8.356 1.00 0.00 O ATOM 53 CB ALA A 5 -9.018 -3.031 8.256 1.00 0.00 C ATOM 0 H ALA A 5 -11.037 -3.537 9.726 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.601 -3.292 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.229 -3.161 7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.226 -1.968 8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.696 -3.452 9.208 1.00 0.00 H new ATOM 59 N THR A 6 -10.461 -5.706 6.387 1.00 0.00 N ATOM 60 CA THR A 6 -10.260 -7.092 6.008 1.00 0.00 C ATOM 61 C THR A 6 -9.262 -7.190 4.860 1.00 0.00 C ATOM 62 O THR A 6 -9.621 -7.022 3.697 1.00 0.00 O ATOM 63 CB THR A 6 -11.591 -7.740 5.592 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.432 -6.756 4.970 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.299 -8.340 6.799 1.00 0.00 C ATOM 0 H THR A 6 -10.982 -5.155 5.704 1.00 0.00 H new ATOM 0 HA THR A 6 -9.864 -7.625 6.873 1.00 0.00 H new ATOM 0 HB THR A 6 -11.383 -8.541 4.883 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.905 -6.233 4.330 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.238 -8.793 6.482 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.664 -9.101 7.252 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.502 -7.556 7.528 1.00 0.00 H new ATOM 73 N VAL A 7 -8.005 -7.436 5.188 1.00 0.00 N ATOM 74 CA VAL A 7 -6.969 -7.544 4.176 1.00 0.00 C ATOM 75 C VAL A 7 -6.468 -8.978 4.063 1.00 0.00 C ATOM 76 O VAL A 7 -6.580 -9.762 5.008 1.00 0.00 O ATOM 77 CB VAL A 7 -5.777 -6.605 4.479 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.229 -5.150 4.490 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.118 -6.966 5.806 1.00 0.00 C ATOM 0 H VAL A 7 -7.678 -7.564 6.146 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.416 -7.243 3.228 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.039 -6.734 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.376 -4.506 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.644 -4.890 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.991 -5.011 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.284 -6.290 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.847 -6.875 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.752 -7.992 5.763 1.00 0.00 H new ATOM 89 N THR A 8 -5.936 -9.317 2.902 1.00 0.00 N ATOM 90 CA THR A 8 -5.399 -10.645 2.662 1.00 0.00 C ATOM 91 C THR A 8 -3.895 -10.566 2.415 1.00 0.00 C ATOM 92 O THR A 8 -3.455 -10.256 1.307 1.00 0.00 O ATOM 93 CB THR A 8 -6.087 -11.316 1.456 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.509 -11.289 1.637 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.623 -12.758 1.291 1.00 0.00 C ATOM 0 H THR A 8 -5.864 -8.685 2.105 1.00 0.00 H new ATOM 0 HA THR A 8 -5.592 -11.249 3.548 1.00 0.00 H new ATOM 0 HB THR A 8 -5.816 -10.763 0.557 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.945 -11.714 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.125 -13.206 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.545 -12.777 1.132 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.867 -13.324 2.190 1.00 0.00 H new ATOM 103 N PRO A 9 -3.090 -10.812 3.458 1.00 0.00 N ATOM 104 CA PRO A 9 -1.633 -10.773 3.348 1.00 0.00 C ATOM 105 C PRO A 9 -1.075 -11.969 2.578 1.00 0.00 C ATOM 106 O PRO A 9 -1.557 -13.096 2.713 1.00 0.00 O ATOM 107 CB PRO A 9 -1.170 -10.801 4.804 1.00 0.00 C ATOM 108 CG PRO A 9 -2.264 -11.494 5.539 1.00 0.00 C ATOM 109 CD PRO A 9 -3.537 -11.126 4.829 1.00 0.00 C ATOM 0 HA PRO A 9 -1.286 -9.900 2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.225 -11.334 4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.012 -9.793 5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.113 -12.574 5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.294 -11.179 6.582 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.254 -11.947 4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.025 -10.271 5.297 1.00 0.00 H new ATOM 117 N SER A 10 -0.064 -11.707 1.760 1.00 0.00 N ATOM 118 CA SER A 10 0.590 -12.739 0.963 1.00 0.00 C ATOM 119 C SER A 10 1.781 -13.336 1.716 1.00 0.00 C ATOM 120 O SER A 10 2.749 -13.804 1.112 1.00 0.00 O ATOM 121 CB SER A 10 1.058 -12.133 -0.363 1.00 0.00 C ATOM 122 OG SER A 10 0.106 -11.203 -0.856 1.00 0.00 O ATOM 0 H SER A 10 0.326 -10.774 1.630 1.00 0.00 H new ATOM 0 HA SER A 10 -0.124 -13.540 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.018 -11.637 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.212 -12.925 -1.096 1.00 0.00 H new ATOM 0 HG SER A 10 0.141 -11.187 -1.835 1.00 0.00 H new ATOM 128 N SER A 11 1.686 -13.323 3.037 1.00 0.00 N ATOM 129 CA SER A 11 2.730 -13.836 3.904 1.00 0.00 C ATOM 130 C SER A 11 3.004 -15.317 3.630 1.00 0.00 C ATOM 131 O SER A 11 2.158 -16.178 3.882 1.00 0.00 O ATOM 132 CB SER A 11 2.305 -13.628 5.356 1.00 0.00 C ATOM 133 OG SER A 11 1.205 -12.734 5.423 1.00 0.00 O ATOM 0 H SER A 11 0.878 -12.954 3.538 1.00 0.00 H new ATOM 0 HA SER A 11 3.656 -13.296 3.707 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.033 -14.584 5.803 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.140 -13.232 5.934 1.00 0.00 H new ATOM 0 HG SER A 11 0.941 -12.610 6.359 1.00 0.00 H new ATOM 139 N GLY A 12 4.185 -15.606 3.103 1.00 0.00 N ATOM 140 CA GLY A 12 4.543 -16.976 2.806 1.00 0.00 C ATOM 141 C GLY A 12 4.622 -17.239 1.318 1.00 0.00 C ATOM 142 O GLY A 12 5.195 -18.240 0.887 1.00 0.00 O ATOM 0 H GLY A 12 4.901 -14.916 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.505 -17.206 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.809 -17.646 3.253 1.00 0.00 H new ATOM 146 N LEU A 13 4.056 -16.341 0.529 1.00 0.00 N ATOM 147 CA LEU A 13 4.059 -16.490 -0.919 1.00 0.00 C ATOM 148 C LEU A 13 5.183 -15.667 -1.539 1.00 0.00 C ATOM 149 O LEU A 13 5.746 -14.796 -0.883 1.00 0.00 O ATOM 150 CB LEU A 13 2.706 -16.069 -1.491 1.00 0.00 C ATOM 151 CG LEU A 13 1.518 -16.920 -1.033 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.209 -16.286 -1.469 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.631 -18.332 -1.584 1.00 0.00 C ATOM 0 H LEU A 13 3.588 -15.500 0.866 1.00 0.00 H new ATOM 0 HA LEU A 13 4.231 -17.538 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.518 -15.031 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.761 -16.104 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 13 1.532 -16.971 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.624 -16.905 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.122 -15.292 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.188 -16.206 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.779 -18.923 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.643 -18.298 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.553 -18.790 -1.226 1.00 0.00 H new ATOM 165 N SER A 14 5.522 -15.959 -2.786 1.00 0.00 N ATOM 166 CA SER A 14 6.586 -15.241 -3.475 1.00 0.00 C ATOM 167 C SER A 14 6.075 -13.926 -4.059 1.00 0.00 C ATOM 168 O SER A 14 4.933 -13.526 -3.818 1.00 0.00 O ATOM 169 CB SER A 14 7.170 -16.117 -4.587 1.00 0.00 C ATOM 170 OG SER A 14 7.570 -17.387 -4.089 1.00 0.00 O ATOM 0 H SER A 14 5.076 -16.688 -3.342 1.00 0.00 H new ATOM 0 HA SER A 14 7.366 -15.009 -2.750 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.429 -16.250 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.026 -15.614 -5.037 1.00 0.00 H new ATOM 0 HG SER A 14 7.937 -17.925 -4.821 1.00 0.00 H new ATOM 176 N ASP A 15 6.931 -13.255 -4.818 1.00 0.00 N ATOM 177 CA ASP A 15 6.574 -11.993 -5.448 1.00 0.00 C ATOM 178 C ASP A 15 5.610 -12.240 -6.601 1.00 0.00 C ATOM 179 O ASP A 15 5.463 -13.370 -7.065 1.00 0.00 O ATOM 180 CB ASP A 15 7.827 -11.264 -5.948 1.00 0.00 C ATOM 181 CG ASP A 15 8.436 -11.912 -7.177 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.122 -12.948 -7.031 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.245 -11.379 -8.292 1.00 0.00 O ATOM 0 H ASP A 15 7.883 -13.567 -5.012 1.00 0.00 H new ATOM 0 HA ASP A 15 6.084 -11.361 -4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.572 -10.229 -6.178 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.570 -11.240 -5.151 1.00 0.00 H new ATOM 188 N GLY A 16 4.947 -11.187 -7.049 1.00 0.00 N ATOM 189 CA GLY A 16 3.994 -11.313 -8.132 1.00 0.00 C ATOM 190 C GLY A 16 2.616 -11.686 -7.626 1.00 0.00 C ATOM 191 O GLY A 16 1.652 -11.715 -8.391 1.00 0.00 O ATOM 0 H GLY A 16 5.052 -10.242 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.938 -10.372 -8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.341 -12.070 -8.835 1.00 0.00 H new ATOM 195 N THR A 17 2.536 -11.971 -6.333 1.00 0.00 N ATOM 196 CA THR A 17 1.287 -12.350 -5.698 1.00 0.00 C ATOM 197 C THR A 17 0.349 -11.151 -5.564 1.00 0.00 C ATOM 198 O THR A 17 0.791 -10.012 -5.382 1.00 0.00 O ATOM 199 CB THR A 17 1.550 -12.969 -4.309 1.00 0.00 C ATOM 200 OG1 THR A 17 2.441 -14.081 -4.440 1.00 0.00 O ATOM 201 CG2 THR A 17 0.259 -13.441 -3.663 1.00 0.00 C ATOM 0 H THR A 17 3.334 -11.945 -5.699 1.00 0.00 H new ATOM 0 HA THR A 17 0.806 -13.094 -6.333 1.00 0.00 H new ATOM 0 HB THR A 17 1.995 -12.201 -3.676 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.235 -13.931 -3.886 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.477 -13.872 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.418 -12.595 -3.543 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.210 -14.195 -4.295 1.00 0.00 H new ATOM 209 N VAL A 18 -0.944 -11.412 -5.680 1.00 0.00 N ATOM 210 CA VAL A 18 -1.944 -10.368 -5.574 1.00 0.00 C ATOM 211 C VAL A 18 -2.351 -10.144 -4.123 1.00 0.00 C ATOM 212 O VAL A 18 -2.832 -11.060 -3.451 1.00 0.00 O ATOM 213 CB VAL A 18 -3.201 -10.710 -6.393 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.145 -9.525 -6.441 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.823 -11.149 -7.794 1.00 0.00 C ATOM 0 H VAL A 18 -1.324 -12.344 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.493 -9.458 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.714 -11.537 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.028 -9.786 -7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.446 -9.258 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.641 -8.677 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.726 -11.386 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.284 -10.344 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.187 -12.032 -7.739 1.00 0.00 H new ATOM 225 N VAL A 19 -2.142 -8.927 -3.652 1.00 0.00 N ATOM 226 CA VAL A 19 -2.496 -8.551 -2.291 1.00 0.00 C ATOM 227 C VAL A 19 -3.874 -7.904 -2.282 1.00 0.00 C ATOM 228 O VAL A 19 -4.085 -6.883 -2.937 1.00 0.00 O ATOM 229 CB VAL A 19 -1.471 -7.567 -1.688 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.762 -7.323 -0.216 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.056 -8.087 -1.873 1.00 0.00 C ATOM 0 H VAL A 19 -1.724 -8.173 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.498 -9.457 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.559 -6.618 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.028 -6.627 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.761 -6.901 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.706 -8.266 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.651 -7.379 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.045 -9.051 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.152 -8.205 -2.936 1.00 0.00 H new ATOM 241 N LYS A 20 -4.807 -8.496 -1.555 1.00 0.00 N ATOM 242 CA LYS A 20 -6.160 -7.964 -1.490 1.00 0.00 C ATOM 243 C LYS A 20 -6.333 -7.068 -0.267 1.00 0.00 C ATOM 244 O LYS A 20 -6.029 -7.468 0.857 1.00 0.00 O ATOM 245 CB LYS A 20 -7.185 -9.100 -1.455 1.00 0.00 C ATOM 246 CG LYS A 20 -8.626 -8.617 -1.475 1.00 0.00 C ATOM 247 CD LYS A 20 -9.602 -9.781 -1.453 1.00 0.00 C ATOM 248 CE LYS A 20 -9.753 -10.409 -2.829 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.587 -11.637 -2.791 1.00 0.00 N ATOM 0 H LYS A 20 -4.655 -9.341 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.328 -7.366 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.018 -9.756 -2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.023 -9.698 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.807 -7.972 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.797 -8.014 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.256 -10.534 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.574 -9.435 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.202 -9.686 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.768 -10.652 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.665 -12.034 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.146 -12.337 -2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.536 -11.401 -2.436 1.00 0.00 H new ATOM 263 N VAL A 21 -6.809 -5.854 -0.501 1.00 0.00 N ATOM 264 CA VAL A 21 -7.036 -4.895 0.571 1.00 0.00 C ATOM 265 C VAL A 21 -8.480 -4.412 0.537 1.00 0.00 C ATOM 266 O VAL A 21 -8.856 -3.624 -0.333 1.00 0.00 O ATOM 267 CB VAL A 21 -6.082 -3.682 0.459 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.345 -2.678 1.574 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.629 -4.139 0.477 1.00 0.00 C ATOM 0 H VAL A 21 -7.047 -5.508 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.836 -5.399 1.517 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.274 -3.187 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.662 -1.835 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.373 -2.322 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.189 -3.158 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.974 -3.272 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.424 -4.664 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.448 -4.809 -0.363 1.00 0.00 H new ATOM 279 N ALA A 22 -9.288 -4.907 1.464 1.00 0.00 N ATOM 280 CA ALA A 22 -10.688 -4.522 1.545 1.00 0.00 C ATOM 281 C ALA A 22 -10.971 -3.814 2.864 1.00 0.00 C ATOM 282 O ALA A 22 -11.089 -4.451 3.912 1.00 0.00 O ATOM 283 CB ALA A 22 -11.582 -5.745 1.392 1.00 0.00 C ATOM 0 H ALA A 22 -8.995 -5.579 2.173 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.906 -3.830 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.627 -5.442 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.397 -6.212 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.363 -6.458 2.187 1.00 0.00 H new ATOM 289 N GLY A 23 -11.067 -2.498 2.813 1.00 0.00 N ATOM 290 CA GLY A 23 -11.326 -1.728 4.010 1.00 0.00 C ATOM 291 C GLY A 23 -12.758 -1.246 4.093 1.00 0.00 C ATOM 292 O GLY A 23 -13.213 -0.486 3.240 1.00 0.00 O ATOM 0 H GLY A 23 -10.970 -1.946 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.100 -2.337 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.655 -0.869 4.037 1.00 0.00 H new ATOM 296 N ALA A 24 -13.473 -1.702 5.110 1.00 0.00 N ATOM 297 CA ALA A 24 -14.856 -1.301 5.316 1.00 0.00 C ATOM 298 C ALA A 24 -14.950 -0.366 6.517 1.00 0.00 C ATOM 299 O ALA A 24 -14.251 -0.555 7.514 1.00 0.00 O ATOM 300 CB ALA A 24 -15.740 -2.524 5.505 1.00 0.00 C ATOM 0 H ALA A 24 -13.116 -2.353 5.809 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.209 -0.767 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.772 -2.207 5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.682 -3.155 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.401 -3.087 6.374 1.00 0.00 H new ATOM 306 N GLY A 25 -15.798 0.645 6.417 1.00 0.00 N ATOM 307 CA GLY A 25 -15.945 1.599 7.499 1.00 0.00 C ATOM 308 C GLY A 25 -15.142 2.854 7.233 1.00 0.00 C ATOM 309 O GLY A 25 -14.728 3.558 8.159 1.00 0.00 O ATOM 0 H GLY A 25 -16.389 0.824 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.997 1.856 7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.617 1.146 8.435 1.00 0.00 H new ATOM 313 N LEU A 26 -14.916 3.129 5.957 1.00 0.00 N ATOM 314 CA LEU A 26 -14.161 4.294 5.540 1.00 0.00 C ATOM 315 C LEU A 26 -15.108 5.433 5.189 1.00 0.00 C ATOM 316 O LEU A 26 -16.329 5.257 5.176 1.00 0.00 O ATOM 317 CB LEU A 26 -13.275 3.943 4.345 1.00 0.00 C ATOM 318 CG LEU A 26 -12.234 2.849 4.605 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.508 2.489 3.318 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.237 3.295 5.667 1.00 0.00 C ATOM 0 H LEU A 26 -15.251 2.551 5.186 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.522 4.617 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.913 3.626 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.757 4.845 4.019 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.754 1.964 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.772 1.711 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.227 2.126 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.003 3.372 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.507 2.503 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.724 4.196 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.766 3.506 6.597 1.00 0.00 H new ATOM 332 N GLN A 27 -14.548 6.594 4.892 1.00 0.00 N ATOM 333 CA GLN A 27 -15.346 7.759 4.562 1.00 0.00 C ATOM 334 C GLN A 27 -15.778 7.708 3.101 1.00 0.00 C ATOM 335 O GLN A 27 -14.955 7.862 2.196 1.00 0.00 O ATOM 336 CB GLN A 27 -14.556 9.040 4.845 1.00 0.00 C ATOM 337 CG GLN A 27 -15.402 10.304 4.820 1.00 0.00 C ATOM 338 CD GLN A 27 -16.526 10.270 5.840 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.420 9.624 6.883 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.614 10.961 5.543 1.00 0.00 N ATOM 0 H GLN A 27 -13.541 6.753 4.873 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.240 7.759 5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.079 8.953 5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.758 9.134 4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.766 11.167 5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.824 10.436 3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.663 11.484 4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.404 10.971 6.188 1.00 0.00 H new ATOM 349 N ALA A 28 -17.064 7.474 2.878 1.00 0.00 N ATOM 350 CA ALA A 28 -17.607 7.404 1.528 1.00 0.00 C ATOM 351 C ALA A 28 -17.380 8.712 0.781 1.00 0.00 C ATOM 352 O ALA A 28 -18.032 9.718 1.065 1.00 0.00 O ATOM 353 CB ALA A 28 -19.089 7.081 1.575 1.00 0.00 C ATOM 0 H ALA A 28 -17.752 7.329 3.617 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.086 6.610 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.483 7.031 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.237 6.121 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.613 7.859 2.130 1.00 0.00 H new ATOM 359 N GLY A 29 -16.446 8.698 -0.160 1.00 0.00 N ATOM 360 CA GLY A 29 -16.139 9.888 -0.928 1.00 0.00 C ATOM 361 C GLY A 29 -14.649 10.122 -1.047 1.00 0.00 C ATOM 362 O GLY A 29 -14.159 10.534 -2.100 1.00 0.00 O ATOM 0 H GLY A 29 -15.892 7.878 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.572 9.797 -1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.605 10.753 -0.456 1.00 0.00 H new ATOM 366 N THR A 30 -13.923 9.849 0.028 1.00 0.00 N ATOM 367 CA THR A 30 -12.481 10.035 0.032 1.00 0.00 C ATOM 368 C THR A 30 -11.782 8.921 -0.744 1.00 0.00 C ATOM 369 O THR A 30 -12.247 7.778 -0.768 1.00 0.00 O ATOM 370 CB THR A 30 -11.926 10.087 1.469 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.532 9.062 2.264 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.185 11.441 2.110 1.00 0.00 C ATOM 0 H THR A 30 -14.308 9.499 0.905 1.00 0.00 H new ATOM 0 HA THR A 30 -12.280 10.989 -0.456 1.00 0.00 H new ATOM 0 HB THR A 30 -10.849 9.928 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.828 8.330 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.782 11.447 3.123 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.700 12.221 1.522 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.258 11.628 2.145 1.00 0.00 H new ATOM 380 N ALA A 31 -10.666 9.263 -1.377 1.00 0.00 N ATOM 381 CA ALA A 31 -9.902 8.300 -2.151 1.00 0.00 C ATOM 382 C ALA A 31 -8.702 7.815 -1.355 1.00 0.00 C ATOM 383 O ALA A 31 -8.048 8.598 -0.664 1.00 0.00 O ATOM 384 CB ALA A 31 -9.450 8.908 -3.469 1.00 0.00 C ATOM 0 H ALA A 31 -10.272 10.204 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.545 7.447 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.880 8.170 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.322 9.212 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.824 9.778 -3.272 1.00 0.00 H new ATOM 390 N TYR A 32 -8.421 6.525 -1.453 1.00 0.00 N ATOM 391 CA TYR A 32 -7.306 5.927 -0.738 1.00 0.00 C ATOM 392 C TYR A 32 -6.326 5.286 -1.712 1.00 0.00 C ATOM 393 O TYR A 32 -6.727 4.553 -2.619 1.00 0.00 O ATOM 394 CB TYR A 32 -7.819 4.874 0.258 1.00 0.00 C ATOM 395 CG TYR A 32 -8.888 5.389 1.198 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.225 5.399 0.820 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.559 5.867 2.458 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.205 5.879 1.668 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.533 6.352 3.314 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.855 6.356 2.915 1.00 0.00 C ATOM 401 OH TYR A 32 -11.831 6.846 3.760 1.00 0.00 O ATOM 0 H TYR A 32 -8.954 5.869 -2.025 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.788 6.714 -0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.216 4.025 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.979 4.505 0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.503 5.025 -0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.527 5.861 2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.239 5.881 1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.260 6.726 4.290 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.177 7.691 3.405 1.00 0.00 H new ATOM 411 N ASP A 33 -5.049 5.580 -1.530 1.00 0.00 N ATOM 412 CA ASP A 33 -4.005 5.018 -2.375 1.00 0.00 C ATOM 413 C ASP A 33 -3.408 3.807 -1.681 1.00 0.00 C ATOM 414 O ASP A 33 -3.030 3.883 -0.510 1.00 0.00 O ATOM 415 CB ASP A 33 -2.902 6.044 -2.662 1.00 0.00 C ATOM 416 CG ASP A 33 -3.310 7.095 -3.679 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.776 6.730 -4.779 1.00 0.00 O ATOM 418 OD2 ASP A 33 -3.146 8.298 -3.393 1.00 0.00 O ATOM 0 H ASP A 33 -4.708 6.207 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.448 4.730 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.624 6.538 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.016 5.523 -3.024 1.00 0.00 H new ATOM 423 N VAL A 34 -3.347 2.689 -2.384 1.00 0.00 N ATOM 424 CA VAL A 34 -2.806 1.466 -1.812 1.00 0.00 C ATOM 425 C VAL A 34 -1.663 0.932 -2.665 1.00 0.00 C ATOM 426 O VAL A 34 -1.738 0.940 -3.896 1.00 0.00 O ATOM 427 CB VAL A 34 -3.887 0.369 -1.678 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.458 -0.693 -0.675 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.228 0.971 -1.276 1.00 0.00 C ATOM 0 H VAL A 34 -3.664 2.602 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.438 1.718 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.005 -0.105 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.234 -1.454 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.529 -1.155 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.304 -0.231 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.971 0.178 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.126 1.480 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.548 1.686 -2.034 1.00 0.00 H new ATOM 439 N GLY A 35 -0.607 0.479 -2.007 1.00 0.00 N ATOM 440 CA GLY A 35 0.536 -0.060 -2.711 1.00 0.00 C ATOM 441 C GLY A 35 1.476 -0.792 -1.780 1.00 0.00 C ATOM 442 O GLY A 35 1.273 -0.792 -0.564 1.00 0.00 O ATOM 0 H GLY A 35 -0.522 0.476 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.194 -0.740 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.072 0.749 -3.206 1.00 0.00 H new ATOM 446 N GLN A 36 2.500 -1.421 -2.341 1.00 0.00 N ATOM 447 CA GLN A 36 3.478 -2.148 -1.538 1.00 0.00 C ATOM 448 C GLN A 36 4.496 -1.174 -0.952 1.00 0.00 C ATOM 449 O GLN A 36 5.681 -1.215 -1.271 1.00 0.00 O ATOM 450 CB GLN A 36 4.180 -3.230 -2.368 1.00 0.00 C ATOM 451 CG GLN A 36 4.673 -2.753 -3.727 1.00 0.00 C ATOM 452 CD GLN A 36 5.641 -3.726 -4.380 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.666 -3.868 -5.601 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.450 -4.402 -3.574 1.00 0.00 N ATOM 0 H GLN A 36 2.676 -1.444 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 36 2.953 -2.645 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.028 -3.614 -1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.492 -4.062 -2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.818 -2.602 -4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.161 -1.785 -3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.401 -4.259 -2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.120 -5.065 -3.963 1.00 0.00 H new ATOM 463 N CYS A 37 4.009 -0.285 -0.108 1.00 0.00 N ATOM 464 CA CYS A 37 4.846 0.721 0.521 1.00 0.00 C ATOM 465 C CYS A 37 5.701 0.109 1.621 1.00 0.00 C ATOM 466 O CYS A 37 5.201 -0.240 2.688 1.00 0.00 O ATOM 467 CB CYS A 37 3.967 1.841 1.081 1.00 0.00 C ATOM 468 SG CYS A 37 2.523 2.230 0.034 1.00 0.00 S ATOM 0 H CYS A 37 3.026 -0.239 0.161 1.00 0.00 H new ATOM 0 HA CYS A 37 5.520 1.136 -0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.619 1.556 2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.571 2.740 1.201 1.00 0.00 H new ATOM 473 N ALA A 38 6.991 -0.027 1.345 1.00 0.00 N ATOM 474 CA ALA A 38 7.920 -0.597 2.305 1.00 0.00 C ATOM 475 C ALA A 38 8.883 0.467 2.809 1.00 0.00 C ATOM 476 O ALA A 38 8.905 1.582 2.288 1.00 0.00 O ATOM 477 CB ALA A 38 8.676 -1.764 1.691 1.00 0.00 C ATOM 0 H ALA A 38 7.417 0.251 0.461 1.00 0.00 H new ATOM 0 HA ALA A 38 7.351 -0.973 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.367 -2.177 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.969 -2.535 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.235 -1.418 0.822 1.00 0.00 H new ATOM 483 N TRP A 39 9.661 0.118 3.826 1.00 0.00 N ATOM 484 CA TRP A 39 10.624 1.038 4.424 1.00 0.00 C ATOM 485 C TRP A 39 11.659 1.527 3.411 1.00 0.00 C ATOM 486 O TRP A 39 12.558 0.786 3.003 1.00 0.00 O ATOM 487 CB TRP A 39 11.331 0.374 5.610 1.00 0.00 C ATOM 488 CG TRP A 39 10.539 0.423 6.882 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.230 0.084 7.044 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.008 0.832 8.172 1.00 0.00 C ATOM 491 NE1 TRP A 39 8.852 0.260 8.350 1.00 0.00 N ATOM 492 CE2 TRP A 39 9.924 0.718 9.064 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.236 1.286 8.661 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.032 1.043 10.413 1.00 0.00 C ATOM 495 CZ3 TRP A 39 12.342 1.605 10.002 1.00 0.00 C ATOM 496 CH2 TRP A 39 11.247 1.482 10.864 1.00 0.00 C ATOM 0 H TRP A 39 9.644 -0.806 4.259 1.00 0.00 H new ATOM 0 HA TRP A 39 10.065 1.906 4.772 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.541 -0.666 5.362 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.292 0.863 5.770 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.583 -0.272 6.257 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.922 0.079 8.728 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.087 1.386 8.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.187 0.952 11.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.287 1.955 10.391 1.00 0.00 H new ATOM 0 HH2 TRP A 39 11.363 1.739 11.907 1.00 0.00 H new ATOM 507 N VAL A 40 11.520 2.781 3.012 1.00 0.00 N ATOM 508 CA VAL A 40 12.439 3.397 2.068 1.00 0.00 C ATOM 509 C VAL A 40 13.500 4.181 2.836 1.00 0.00 C ATOM 510 O VAL A 40 14.563 4.525 2.312 1.00 0.00 O ATOM 511 CB VAL A 40 11.692 4.334 1.087 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.104 5.539 1.812 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.608 4.780 -0.045 1.00 0.00 C ATOM 0 H VAL A 40 10.772 3.397 3.331 1.00 0.00 H new ATOM 0 HA VAL A 40 12.913 2.611 1.481 1.00 0.00 H new ATOM 0 HB VAL A 40 10.867 3.768 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.586 6.177 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.399 5.199 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.905 6.104 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.059 5.437 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.462 5.316 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.959 3.907 -0.595 1.00 0.00 H new ATOM 523 N ASP A 41 13.194 4.443 4.094 1.00 0.00 N ATOM 524 CA ASP A 41 14.086 5.174 4.975 1.00 0.00 C ATOM 525 C ASP A 41 13.879 4.692 6.398 1.00 0.00 C ATOM 526 O ASP A 41 13.134 3.737 6.629 1.00 0.00 O ATOM 527 CB ASP A 41 13.810 6.677 4.889 1.00 0.00 C ATOM 528 CG ASP A 41 15.051 7.520 5.102 1.00 0.00 C ATOM 529 OD1 ASP A 41 15.599 7.515 6.225 1.00 0.00 O ATOM 530 OD2 ASP A 41 15.478 8.201 4.144 1.00 0.00 O ATOM 0 H ASP A 41 12.320 4.155 4.533 1.00 0.00 H new ATOM 0 HA ASP A 41 15.117 4.996 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.384 6.907 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.062 6.947 5.634 1.00 0.00 H new ATOM 535 N THR A 42 14.512 5.356 7.345 1.00 0.00 N ATOM 536 CA THR A 42 14.390 4.996 8.746 1.00 0.00 C ATOM 537 C THR A 42 13.060 5.491 9.310 1.00 0.00 C ATOM 538 O THR A 42 12.977 6.579 9.878 1.00 0.00 O ATOM 539 CB THR A 42 15.556 5.578 9.567 1.00 0.00 C ATOM 540 OG1 THR A 42 16.672 5.833 8.699 1.00 0.00 O ATOM 541 CG2 THR A 42 15.980 4.620 10.668 1.00 0.00 C ATOM 0 H THR A 42 15.121 6.155 7.168 1.00 0.00 H new ATOM 0 HA THR A 42 14.424 3.909 8.818 1.00 0.00 H new ATOM 0 HB THR A 42 15.222 6.507 10.029 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.414 6.205 9.220 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.805 5.056 11.232 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.139 4.439 11.337 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.301 3.677 10.226 1.00 0.00 H new ATOM 549 N GLY A 43 12.015 4.702 9.107 1.00 0.00 N ATOM 550 CA GLY A 43 10.699 5.066 9.594 1.00 0.00 C ATOM 551 C GLY A 43 9.798 5.538 8.474 1.00 0.00 C ATOM 552 O GLY A 43 8.578 5.580 8.619 1.00 0.00 O ATOM 0 H GLY A 43 12.055 3.812 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.244 4.208 10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.793 5.853 10.342 1.00 0.00 H new ATOM 556 N VAL A 44 10.407 5.894 7.353 1.00 0.00 N ATOM 557 CA VAL A 44 9.667 6.367 6.194 1.00 0.00 C ATOM 558 C VAL A 44 9.419 5.225 5.222 1.00 0.00 C ATOM 559 O VAL A 44 10.340 4.476 4.882 1.00 0.00 O ATOM 560 CB VAL A 44 10.420 7.491 5.455 1.00 0.00 C ATOM 561 CG1 VAL A 44 9.507 8.178 4.454 1.00 0.00 C ATOM 562 CG2 VAL A 44 10.985 8.502 6.439 1.00 0.00 C ATOM 0 H VAL A 44 11.418 5.864 7.222 1.00 0.00 H new ATOM 0 HA VAL A 44 8.719 6.762 6.560 1.00 0.00 H new ATOM 0 HB VAL A 44 11.252 7.041 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.057 8.968 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.155 7.450 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.653 8.610 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.512 9.285 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.171 8.944 7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.678 8.003 7.116 1.00 0.00 H new ATOM 572 N LEU A 45 8.181 5.093 4.777 1.00 0.00 N ATOM 573 CA LEU A 45 7.813 4.046 3.836 1.00 0.00 C ATOM 574 C LEU A 45 7.447 4.658 2.492 1.00 0.00 C ATOM 575 O LEU A 45 7.039 5.816 2.424 1.00 0.00 O ATOM 576 CB LEU A 45 6.634 3.224 4.364 1.00 0.00 C ATOM 577 CG LEU A 45 6.929 2.355 5.590 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.673 3.125 6.874 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.094 1.090 5.555 1.00 0.00 C ATOM 0 H LEU A 45 7.410 5.700 5.053 1.00 0.00 H new ATOM 0 HA LEU A 45 8.670 3.384 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.821 3.906 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.276 2.579 3.562 1.00 0.00 H new ATOM 0 HG LEU A 45 7.983 2.078 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.890 2.487 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.316 4.005 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.629 3.437 6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.315 0.483 6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.036 1.352 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.329 0.524 4.654 1.00 0.00 H new ATOM 591 N ALA A 46 7.605 3.886 1.425 1.00 0.00 N ATOM 592 CA ALA A 46 7.277 4.355 0.088 1.00 0.00 C ATOM 593 C ALA A 46 6.946 3.182 -0.824 1.00 0.00 C ATOM 594 O ALA A 46 7.477 2.083 -0.655 1.00 0.00 O ATOM 595 CB ALA A 46 8.420 5.177 -0.486 1.00 0.00 C ATOM 0 H ALA A 46 7.959 2.930 1.461 1.00 0.00 H new ATOM 0 HA ALA A 46 6.397 4.995 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.156 5.519 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.606 6.039 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.319 4.563 -0.538 1.00 0.00 H new ATOM 601 N CYS A 47 6.061 3.420 -1.779 1.00 0.00 N ATOM 602 CA CYS A 47 5.638 2.387 -2.717 1.00 0.00 C ATOM 603 C CYS A 47 5.935 2.806 -4.151 1.00 0.00 C ATOM 604 O CYS A 47 6.200 3.979 -4.414 1.00 0.00 O ATOM 605 CB CYS A 47 4.139 2.118 -2.550 1.00 0.00 C ATOM 606 SG CYS A 47 3.281 3.336 -1.494 1.00 0.00 S ATOM 0 H CYS A 47 5.617 4.326 -1.927 1.00 0.00 H new ATOM 0 HA CYS A 47 6.195 1.475 -2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.670 2.110 -3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.004 1.124 -2.124 1.00 0.00 H new ATOM 611 N ASN A 48 5.892 1.854 -5.077 1.00 0.00 N ATOM 612 CA ASN A 48 6.152 2.156 -6.477 1.00 0.00 C ATOM 613 C ASN A 48 4.856 2.527 -7.190 1.00 0.00 C ATOM 614 O ASN A 48 3.814 1.901 -6.990 1.00 0.00 O ATOM 615 CB ASN A 48 6.851 0.985 -7.189 1.00 0.00 C ATOM 616 CG ASN A 48 5.997 -0.265 -7.293 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.188 -0.560 -6.415 1.00 0.00 O ATOM 618 ND2 ASN A 48 6.180 -1.012 -8.372 1.00 0.00 N ATOM 0 H ASN A 48 5.681 0.875 -4.884 1.00 0.00 H new ATOM 0 HA ASN A 48 6.828 3.010 -6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.139 1.301 -8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.770 0.743 -6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.639 -1.868 -8.498 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.862 -0.731 -9.077 1.00 0.00 H new ATOM 625 N PRO A 49 4.903 3.562 -8.036 1.00 0.00 N ATOM 626 CA PRO A 49 3.731 4.029 -8.775 1.00 0.00 C ATOM 627 C PRO A 49 3.338 3.084 -9.905 1.00 0.00 C ATOM 628 O PRO A 49 2.218 3.132 -10.409 1.00 0.00 O ATOM 629 CB PRO A 49 4.185 5.380 -9.333 1.00 0.00 C ATOM 630 CG PRO A 49 5.660 5.247 -9.471 1.00 0.00 C ATOM 631 CD PRO A 49 6.102 4.365 -8.336 1.00 0.00 C ATOM 0 HA PRO A 49 2.845 4.089 -8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.714 5.592 -10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.921 6.196 -8.661 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.924 4.808 -10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.146 6.221 -9.421 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.945 3.736 -8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.419 4.950 -7.473 1.00 0.00 H new ATOM 639 N ALA A 50 4.256 2.205 -10.281 1.00 0.00 N ATOM 640 CA ALA A 50 4.015 1.260 -11.361 1.00 0.00 C ATOM 641 C ALA A 50 3.106 0.107 -10.944 1.00 0.00 C ATOM 642 O ALA A 50 2.560 -0.585 -11.804 1.00 0.00 O ATOM 643 CB ALA A 50 5.334 0.713 -11.882 1.00 0.00 C ATOM 0 H ALA A 50 5.178 2.127 -9.852 1.00 0.00 H new ATOM 0 HA ALA A 50 3.501 1.807 -12.151 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.141 0.007 -12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.946 1.534 -12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.862 0.205 -11.075 1.00 0.00 H new ATOM 649 N ASP A 51 2.932 -0.110 -9.643 1.00 0.00 N ATOM 650 CA ASP A 51 2.096 -1.218 -9.183 1.00 0.00 C ATOM 651 C ASP A 51 1.081 -0.803 -8.124 1.00 0.00 C ATOM 652 O ASP A 51 0.360 -1.648 -7.592 1.00 0.00 O ATOM 653 CB ASP A 51 2.964 -2.349 -8.637 1.00 0.00 C ATOM 654 CG ASP A 51 3.662 -3.120 -9.736 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.991 -3.898 -10.448 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.884 -2.950 -9.903 1.00 0.00 O ATOM 0 H ASP A 51 3.348 0.453 -8.901 1.00 0.00 H new ATOM 0 HA ASP A 51 1.536 -1.559 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.709 -1.936 -7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.344 -3.031 -8.055 1.00 0.00 H new ATOM 661 N PHE A 52 1.013 0.483 -7.813 1.00 0.00 N ATOM 662 CA PHE A 52 0.064 0.956 -6.816 1.00 0.00 C ATOM 663 C PHE A 52 -1.298 1.193 -7.466 1.00 0.00 C ATOM 664 O PHE A 52 -1.405 1.266 -8.693 1.00 0.00 O ATOM 665 CB PHE A 52 0.594 2.223 -6.121 1.00 0.00 C ATOM 666 CG PHE A 52 0.073 3.523 -6.676 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.457 3.965 -7.931 1.00 0.00 C ATOM 668 CD2 PHE A 52 -0.798 4.303 -5.932 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.019 5.157 -8.435 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.277 5.497 -6.432 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.887 5.925 -7.686 1.00 0.00 C ATOM 0 H PHE A 52 1.595 1.209 -8.230 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.058 0.193 -6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.341 2.171 -5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.682 2.227 -6.188 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.137 3.369 -8.522 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.105 3.973 -4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.287 5.489 -9.416 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.956 6.096 -5.843 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.261 6.859 -8.080 1.00 0.00 H new ATOM 681 N SER A 53 -2.341 1.281 -6.653 1.00 0.00 N ATOM 682 CA SER A 53 -3.684 1.507 -7.166 1.00 0.00 C ATOM 683 C SER A 53 -4.483 2.413 -6.237 1.00 0.00 C ATOM 684 O SER A 53 -4.369 2.322 -5.012 1.00 0.00 O ATOM 685 CB SER A 53 -4.414 0.175 -7.345 1.00 0.00 C ATOM 686 OG SER A 53 -3.738 -0.657 -8.271 1.00 0.00 O ATOM 0 H SER A 53 -2.283 1.200 -5.638 1.00 0.00 H new ATOM 0 HA SER A 53 -3.594 2.001 -8.133 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.491 -0.333 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.431 0.358 -7.691 1.00 0.00 H new ATOM 0 HG SER A 53 -4.224 -1.503 -8.366 1.00 0.00 H new ATOM 692 N SER A 54 -5.281 3.286 -6.829 1.00 0.00 N ATOM 693 CA SER A 54 -6.109 4.207 -6.073 1.00 0.00 C ATOM 694 C SER A 54 -7.551 3.722 -6.065 1.00 0.00 C ATOM 695 O SER A 54 -8.113 3.395 -7.113 1.00 0.00 O ATOM 696 CB SER A 54 -6.022 5.603 -6.692 1.00 0.00 C ATOM 697 OG SER A 54 -4.691 5.894 -7.087 1.00 0.00 O ATOM 0 H SER A 54 -5.372 3.375 -7.841 1.00 0.00 H new ATOM 0 HA SER A 54 -5.751 4.253 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.685 5.666 -7.555 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.364 6.347 -5.973 1.00 0.00 H new ATOM 0 HG SER A 54 -4.188 6.232 -6.317 1.00 0.00 H new ATOM 703 N VAL A 55 -8.145 3.645 -4.889 1.00 0.00 N ATOM 704 CA VAL A 55 -9.520 3.197 -4.775 1.00 0.00 C ATOM 705 C VAL A 55 -10.327 4.167 -3.916 1.00 0.00 C ATOM 706 O VAL A 55 -9.904 4.556 -2.827 1.00 0.00 O ATOM 707 CB VAL A 55 -9.604 1.757 -4.209 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.914 1.647 -2.856 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.053 1.299 -4.114 1.00 0.00 C ATOM 0 H VAL A 55 -7.700 3.885 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.950 3.179 -5.776 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.079 1.099 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.993 0.623 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.863 1.915 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.392 2.324 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.089 0.286 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.604 1.969 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.505 1.314 -5.106 1.00 0.00 H new ATOM 719 N THR A 56 -11.466 4.594 -4.430 1.00 0.00 N ATOM 720 CA THR A 56 -12.323 5.509 -3.704 1.00 0.00 C ATOM 721 C THR A 56 -13.370 4.723 -2.921 1.00 0.00 C ATOM 722 O THR A 56 -13.819 3.661 -3.369 1.00 0.00 O ATOM 723 CB THR A 56 -12.989 6.533 -4.661 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.237 7.763 -3.971 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.296 6.010 -5.244 1.00 0.00 C ATOM 0 H THR A 56 -11.818 4.321 -5.348 1.00 0.00 H new ATOM 0 HA THR A 56 -11.713 6.076 -3.000 1.00 0.00 H new ATOM 0 HB THR A 56 -12.296 6.699 -5.486 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.656 8.403 -4.584 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.725 6.761 -5.907 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.104 5.097 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.996 5.798 -4.436 1.00 0.00 H new ATOM 733 N ALA A 57 -13.721 5.212 -1.740 1.00 0.00 N ATOM 734 CA ALA A 57 -14.713 4.546 -0.913 1.00 0.00 C ATOM 735 C ALA A 57 -16.075 4.607 -1.580 1.00 0.00 C ATOM 736 O ALA A 57 -16.549 5.686 -1.944 1.00 0.00 O ATOM 737 CB ALA A 57 -14.765 5.172 0.470 1.00 0.00 C ATOM 0 H ALA A 57 -13.334 6.065 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.427 3.500 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.514 4.659 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.789 5.081 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.029 6.226 0.383 1.00 0.00 H new ATOM 743 N ASP A 58 -16.689 3.443 -1.748 1.00 0.00 N ATOM 744 CA ASP A 58 -17.997 3.348 -2.383 1.00 0.00 C ATOM 745 C ASP A 58 -19.088 3.903 -1.467 1.00 0.00 C ATOM 746 O ASP A 58 -18.814 4.317 -0.339 1.00 0.00 O ATOM 747 CB ASP A 58 -18.298 1.891 -2.767 1.00 0.00 C ATOM 748 CG ASP A 58 -18.945 1.104 -1.646 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.271 0.838 -0.633 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.133 0.750 -1.782 1.00 0.00 O ATOM 0 H ASP A 58 -16.300 2.548 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.983 3.950 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -18.954 1.879 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.370 1.399 -3.060 1.00 0.00 H new ATOM 755 N ALA A 59 -20.325 3.895 -1.956 1.00 0.00 N ATOM 756 CA ALA A 59 -21.465 4.413 -1.204 1.00 0.00 C ATOM 757 C ALA A 59 -21.655 3.698 0.138 1.00 0.00 C ATOM 758 O ALA A 59 -22.193 4.275 1.082 1.00 0.00 O ATOM 759 CB ALA A 59 -22.730 4.310 -2.037 1.00 0.00 C ATOM 0 H ALA A 59 -20.565 3.532 -2.878 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.257 5.460 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.574 4.699 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.612 4.891 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.914 3.266 -2.291 1.00 0.00 H new ATOM 765 N ASN A 60 -21.229 2.438 0.218 1.00 0.00 N ATOM 766 CA ASN A 60 -21.347 1.672 1.459 1.00 0.00 C ATOM 767 C ASN A 60 -20.272 2.097 2.450 1.00 0.00 C ATOM 768 O ASN A 60 -20.384 1.855 3.655 1.00 0.00 O ATOM 769 CB ASN A 60 -21.228 0.168 1.194 1.00 0.00 C ATOM 770 CG ASN A 60 -22.424 -0.397 0.461 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.448 -0.705 1.065 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.304 -0.537 -0.851 1.00 0.00 N ATOM 0 H ASN A 60 -20.802 1.928 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.331 1.876 1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.327 -0.023 0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.110 -0.355 2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.079 -0.913 -1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.436 -0.269 -1.315 1.00 0.00 H new ATOM 779 N GLY A 61 -19.240 2.746 1.937 1.00 0.00 N ATOM 780 CA GLY A 61 -18.154 3.196 2.775 1.00 0.00 C ATOM 781 C GLY A 61 -17.052 2.168 2.856 1.00 0.00 C ATOM 782 O GLY A 61 -16.413 2.005 3.900 1.00 0.00 O ATOM 0 H GLY A 61 -19.136 2.970 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.753 4.130 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.530 3.407 3.776 1.00 0.00 H new ATOM 786 N SER A 62 -16.829 1.472 1.754 1.00 0.00 N ATOM 787 CA SER A 62 -15.802 0.450 1.700 1.00 0.00 C ATOM 788 C SER A 62 -14.919 0.625 0.465 1.00 0.00 C ATOM 789 O SER A 62 -15.352 1.175 -0.550 1.00 0.00 O ATOM 790 CB SER A 62 -16.447 -0.937 1.696 1.00 0.00 C ATOM 791 OG SER A 62 -17.836 -0.855 1.404 1.00 0.00 O ATOM 0 H SER A 62 -17.347 1.598 0.884 1.00 0.00 H new ATOM 0 HA SER A 62 -15.171 0.550 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 62 -15.954 -1.569 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.304 -1.411 2.667 1.00 0.00 H new ATOM 0 HG SER A 62 -17.964 -0.391 0.550 1.00 0.00 H new ATOM 797 N ALA A 63 -13.677 0.174 0.566 1.00 0.00 N ATOM 798 CA ALA A 63 -12.734 0.266 -0.535 1.00 0.00 C ATOM 799 C ALA A 63 -11.950 -1.032 -0.667 1.00 0.00 C ATOM 800 O ALA A 63 -11.174 -1.388 0.218 1.00 0.00 O ATOM 801 CB ALA A 63 -11.790 1.441 -0.333 1.00 0.00 C ATOM 0 H ALA A 63 -13.298 -0.262 1.407 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.292 0.430 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.091 1.494 -1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.365 2.365 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.236 1.307 0.596 1.00 0.00 H new ATOM 807 N SER A 64 -12.177 -1.748 -1.755 1.00 0.00 N ATOM 808 CA SER A 64 -11.489 -3.002 -2.003 1.00 0.00 C ATOM 809 C SER A 64 -10.633 -2.889 -3.257 1.00 0.00 C ATOM 810 O SER A 64 -11.115 -2.481 -4.315 1.00 0.00 O ATOM 811 CB SER A 64 -12.496 -4.146 -2.153 1.00 0.00 C ATOM 812 OG SER A 64 -11.845 -5.408 -2.170 1.00 0.00 O ATOM 0 H SER A 64 -12.837 -1.479 -2.485 1.00 0.00 H new ATOM 0 HA SER A 64 -10.844 -3.219 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.211 -4.114 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.064 -4.015 -3.074 1.00 0.00 H new ATOM 0 HG SER A 64 -12.513 -6.119 -2.265 1.00 0.00 H new ATOM 818 N THR A 65 -9.365 -3.238 -3.133 1.00 0.00 N ATOM 819 CA THR A 65 -8.442 -3.177 -4.250 1.00 0.00 C ATOM 820 C THR A 65 -7.424 -4.305 -4.151 1.00 0.00 C ATOM 821 O THR A 65 -7.268 -4.921 -3.093 1.00 0.00 O ATOM 822 CB THR A 65 -7.718 -1.811 -4.296 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.943 -1.689 -5.496 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.817 -1.631 -3.082 1.00 0.00 C ATOM 0 H THR A 65 -8.949 -3.569 -2.262 1.00 0.00 H new ATOM 0 HA THR A 65 -9.014 -3.292 -5.171 1.00 0.00 H new ATOM 0 HB THR A 65 -8.480 -1.031 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.494 -0.818 -5.508 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.320 -0.663 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.417 -1.678 -2.173 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.068 -2.423 -3.064 1.00 0.00 H new ATOM 832 N SER A 66 -6.749 -4.588 -5.251 1.00 0.00 N ATOM 833 CA SER A 66 -5.747 -5.635 -5.285 1.00 0.00 C ATOM 834 C SER A 66 -4.438 -5.082 -5.839 1.00 0.00 C ATOM 835 O SER A 66 -4.431 -4.393 -6.857 1.00 0.00 O ATOM 836 CB SER A 66 -6.253 -6.806 -6.124 1.00 0.00 C ATOM 837 OG SER A 66 -7.441 -7.346 -5.569 1.00 0.00 O ATOM 0 H SER A 66 -6.879 -4.102 -6.138 1.00 0.00 H new ATOM 0 HA SER A 66 -5.560 -5.996 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.441 -6.473 -7.145 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.487 -7.579 -6.177 1.00 0.00 H new ATOM 0 HG SER A 66 -7.750 -8.094 -6.122 1.00 0.00 H new ATOM 843 N LEU A 67 -3.335 -5.367 -5.158 1.00 0.00 N ATOM 844 CA LEU A 67 -2.030 -4.869 -5.577 1.00 0.00 C ATOM 845 C LEU A 67 -1.117 -6.009 -5.998 1.00 0.00 C ATOM 846 O LEU A 67 -1.271 -7.140 -5.540 1.00 0.00 O ATOM 847 CB LEU A 67 -1.352 -4.078 -4.443 1.00 0.00 C ATOM 848 CG LEU A 67 -2.077 -2.814 -3.965 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.555 -1.981 -5.139 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.234 -3.168 -3.050 1.00 0.00 C ATOM 0 H LEU A 67 -3.318 -5.940 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.197 -4.210 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.227 -4.744 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.353 -3.794 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.365 -2.216 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.065 -1.091 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.700 -1.683 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.244 -2.569 -5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.733 -2.255 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.944 -3.797 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.858 -3.707 -2.180 1.00 0.00 H new ATOM 862 N THR A 68 -0.170 -5.707 -6.869 1.00 0.00 N ATOM 863 CA THR A 68 0.788 -6.696 -7.333 1.00 0.00 C ATOM 864 C THR A 68 2.142 -6.430 -6.679 1.00 0.00 C ATOM 865 O THR A 68 2.843 -5.496 -7.060 1.00 0.00 O ATOM 866 CB THR A 68 0.937 -6.654 -8.868 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.252 -6.105 -9.454 1.00 0.00 O ATOM 868 CG2 THR A 68 1.174 -8.049 -9.424 1.00 0.00 C ATOM 0 H THR A 68 -0.043 -4.778 -7.272 1.00 0.00 H new ATOM 0 HA THR A 68 0.425 -7.685 -7.056 1.00 0.00 H new ATOM 0 HB THR A 68 1.794 -6.028 -9.114 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.154 -6.078 -10.429 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.276 -7.996 -10.508 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.086 -8.462 -8.993 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.330 -8.690 -9.170 1.00 0.00 H new ATOM 876 N VAL A 69 2.497 -7.231 -5.682 1.00 0.00 N ATOM 877 CA VAL A 69 3.759 -7.046 -4.971 1.00 0.00 C ATOM 878 C VAL A 69 4.954 -7.525 -5.795 1.00 0.00 C ATOM 879 O VAL A 69 5.000 -8.669 -6.246 1.00 0.00 O ATOM 880 CB VAL A 69 3.743 -7.752 -3.592 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.441 -9.239 -3.728 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.059 -7.537 -2.858 1.00 0.00 C ATOM 0 H VAL A 69 1.933 -8.012 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 69 3.870 -5.974 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 69 2.942 -7.303 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.438 -9.701 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.464 -9.371 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.204 -9.710 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.024 -8.042 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.877 -7.945 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.219 -6.470 -2.704 1.00 0.00 H new ATOM 892 N ARG A 70 5.912 -6.633 -6.001 1.00 0.00 N ATOM 893 CA ARG A 70 7.110 -6.960 -6.758 1.00 0.00 C ATOM 894 C ARG A 70 8.266 -7.259 -5.816 1.00 0.00 C ATOM 895 O ARG A 70 8.230 -6.884 -4.644 1.00 0.00 O ATOM 896 CB ARG A 70 7.491 -5.809 -7.689 1.00 0.00 C ATOM 897 CG ARG A 70 6.352 -5.353 -8.583 1.00 0.00 C ATOM 898 CD ARG A 70 5.905 -6.455 -9.537 1.00 0.00 C ATOM 899 NE ARG A 70 4.758 -6.046 -10.342 1.00 0.00 N ATOM 900 CZ ARG A 70 4.184 -6.798 -11.278 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.646 -8.015 -11.546 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.140 -6.326 -11.942 1.00 0.00 N ATOM 0 H ARG A 70 5.882 -5.675 -5.653 1.00 0.00 H new ATOM 0 HA ARG A 70 6.900 -7.845 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.833 -4.965 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.330 -6.118 -8.312 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.509 -5.042 -7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.667 -4.481 -9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.732 -6.724 -10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.648 -7.347 -8.966 1.00 0.00 H new ATOM 0 HE ARG A 70 4.369 -5.118 -10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.448 -8.381 -11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.199 -8.583 -12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.783 -5.394 -11.734 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.693 -6.895 -12.661 1.00 0.00 H new ATOM 916 N ARG A 71 9.285 -7.930 -6.335 1.00 0.00 N ATOM 917 CA ARG A 71 10.463 -8.280 -5.548 1.00 0.00 C ATOM 918 C ARG A 71 11.364 -7.060 -5.382 1.00 0.00 C ATOM 919 O ARG A 71 11.867 -6.787 -4.296 1.00 0.00 O ATOM 920 CB ARG A 71 11.225 -9.419 -6.231 1.00 0.00 C ATOM 921 CG ARG A 71 12.358 -9.992 -5.398 1.00 0.00 C ATOM 922 CD ARG A 71 11.845 -10.935 -4.322 1.00 0.00 C ATOM 923 NE ARG A 71 11.262 -12.152 -4.881 1.00 0.00 N ATOM 924 CZ ARG A 71 11.186 -13.313 -4.230 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.659 -13.421 -2.989 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.627 -14.356 -4.821 1.00 0.00 N ATOM 0 H ARG A 71 9.321 -8.245 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 71 10.146 -8.613 -4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.524 -10.219 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.630 -9.056 -7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.053 -10.525 -6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.915 -9.179 -4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.665 -11.201 -3.655 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.097 -10.421 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 71 10.889 -12.111 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.082 -12.613 -2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.598 -14.312 -2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.258 -14.268 -5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.565 -15.248 -4.330 1.00 0.00 H new ATOM 940 N SER A 72 11.562 -6.337 -6.467 1.00 0.00 N ATOM 941 CA SER A 72 12.385 -5.139 -6.450 1.00 0.00 C ATOM 942 C SER A 72 11.597 -3.959 -7.015 1.00 0.00 C ATOM 943 O SER A 72 11.054 -4.046 -8.118 1.00 0.00 O ATOM 944 CB SER A 72 13.655 -5.368 -7.271 1.00 0.00 C ATOM 945 OG SER A 72 14.305 -6.578 -6.900 1.00 0.00 O ATOM 0 H SER A 72 11.162 -6.559 -7.379 1.00 0.00 H new ATOM 0 HA SER A 72 12.667 -4.914 -5.422 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.403 -5.399 -8.331 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.337 -4.529 -7.130 1.00 0.00 H new ATOM 0 HG SER A 72 14.807 -6.439 -6.070 1.00 0.00 H new ATOM 951 N PHE A 73 11.528 -2.858 -6.269 1.00 0.00 N ATOM 952 CA PHE A 73 10.782 -1.689 -6.721 1.00 0.00 C ATOM 953 C PHE A 73 11.384 -0.399 -6.172 1.00 0.00 C ATOM 954 O PHE A 73 12.267 -0.424 -5.316 1.00 0.00 O ATOM 955 CB PHE A 73 9.310 -1.804 -6.299 1.00 0.00 C ATOM 956 CG PHE A 73 9.083 -1.692 -4.812 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.282 -2.784 -3.983 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.670 -0.494 -4.246 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.073 -2.681 -2.620 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.462 -0.387 -2.888 1.00 0.00 C ATOM 961 CZ PHE A 73 8.664 -1.482 -2.074 1.00 0.00 C ATOM 0 H PHE A 73 11.975 -2.752 -5.358 1.00 0.00 H new ATOM 0 HA PHE A 73 10.843 -1.653 -7.809 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.737 -1.025 -6.802 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.918 -2.761 -6.644 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.603 -3.725 -4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.509 0.366 -4.879 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.230 -3.539 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.142 0.552 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.502 -1.401 -1.009 1.00 0.00 H new ATOM 971 N GLU A 74 10.914 0.728 -6.679 1.00 0.00 N ATOM 972 CA GLU A 74 11.394 2.024 -6.232 1.00 0.00 C ATOM 973 C GLU A 74 10.378 2.656 -5.286 1.00 0.00 C ATOM 974 O GLU A 74 9.174 2.461 -5.440 1.00 0.00 O ATOM 975 CB GLU A 74 11.643 2.952 -7.427 1.00 0.00 C ATOM 976 CG GLU A 74 12.230 2.255 -8.650 1.00 0.00 C ATOM 977 CD GLU A 74 11.162 1.719 -9.581 1.00 0.00 C ATOM 978 OE1 GLU A 74 10.666 2.491 -10.428 1.00 0.00 O ATOM 979 OE2 GLU A 74 10.808 0.528 -9.461 1.00 0.00 O ATOM 0 H GLU A 74 10.197 0.771 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 74 12.337 1.880 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.701 3.423 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.319 3.750 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.863 2.956 -9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.869 1.434 -8.324 1.00 0.00 H new ATOM 986 N GLY A 75 10.863 3.415 -4.319 1.00 0.00 N ATOM 987 CA GLY A 75 9.980 4.049 -3.365 1.00 0.00 C ATOM 988 C GLY A 75 9.638 5.471 -3.757 1.00 0.00 C ATOM 989 O GLY A 75 10.535 6.298 -3.962 1.00 0.00 O ATOM 0 H GLY A 75 11.855 3.604 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.062 3.467 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.450 4.048 -2.382 1.00 0.00 H new ATOM 993 N PHE A 76 8.347 5.766 -3.844 1.00 0.00 N ATOM 994 CA PHE A 76 7.893 7.094 -4.220 1.00 0.00 C ATOM 995 C PHE A 76 7.075 7.696 -3.096 1.00 0.00 C ATOM 996 O PHE A 76 6.384 6.978 -2.369 1.00 0.00 O ATOM 997 CB PHE A 76 7.061 7.040 -5.503 1.00 0.00 C ATOM 998 CG PHE A 76 7.877 7.104 -6.767 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.749 6.078 -7.101 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.770 8.191 -7.620 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.496 6.135 -8.263 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.515 8.253 -8.781 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.380 7.224 -9.102 1.00 0.00 C ATOM 0 H PHE A 76 7.597 5.101 -3.658 1.00 0.00 H new ATOM 0 HA PHE A 76 8.767 7.719 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.477 6.120 -5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.352 7.868 -5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.845 5.225 -6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.096 8.999 -7.374 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.169 5.328 -8.513 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.422 9.105 -9.438 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.965 7.272 -10.009 1.00 0.00 H new ATOM 1013 N LEU A 77 7.168 9.005 -2.946 1.00 0.00 N ATOM 1014 CA LEU A 77 6.438 9.704 -1.905 1.00 0.00 C ATOM 1015 C LEU A 77 5.043 10.083 -2.394 1.00 0.00 C ATOM 1016 O LEU A 77 4.759 10.031 -3.593 1.00 0.00 O ATOM 1017 CB LEU A 77 7.216 10.944 -1.451 1.00 0.00 C ATOM 1018 CG LEU A 77 8.632 10.664 -0.933 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.367 11.968 -0.657 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.576 9.807 0.324 1.00 0.00 C ATOM 0 H LEU A 77 7.744 9.607 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 77 6.326 9.039 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.282 11.640 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.649 11.443 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 77 9.180 10.117 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.370 11.750 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.435 12.549 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.823 12.541 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.588 9.617 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.012 10.330 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.087 8.860 0.097 1.00 0.00 H new ATOM 1032 N PHE A 78 4.185 10.482 -1.462 1.00 0.00 N ATOM 1033 CA PHE A 78 2.807 10.845 -1.777 1.00 0.00 C ATOM 1034 C PHE A 78 2.739 12.115 -2.623 1.00 0.00 C ATOM 1035 O PHE A 78 1.701 12.417 -3.218 1.00 0.00 O ATOM 1036 CB PHE A 78 2.007 11.030 -0.488 1.00 0.00 C ATOM 1037 CG PHE A 78 0.788 10.157 -0.404 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.881 8.860 0.071 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.452 10.636 -0.797 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.238 8.054 0.152 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.575 9.835 -0.719 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.468 8.544 -0.243 1.00 0.00 C ATOM 0 H PHE A 78 4.422 10.563 -0.473 1.00 0.00 H new ATOM 0 HA PHE A 78 2.373 10.033 -2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.653 10.819 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.702 12.073 -0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.840 8.473 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.541 11.646 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.152 7.043 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.535 10.219 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.345 7.917 -0.179 1.00 0.00 H new ATOM 1052 N ASP A 79 3.841 12.854 -2.671 1.00 0.00 N ATOM 1053 CA ASP A 79 3.900 14.083 -3.454 1.00 0.00 C ATOM 1054 C ASP A 79 4.190 13.769 -4.918 1.00 0.00 C ATOM 1055 O ASP A 79 4.029 14.621 -5.790 1.00 0.00 O ATOM 1056 CB ASP A 79 4.966 15.036 -2.892 1.00 0.00 C ATOM 1057 CG ASP A 79 6.344 14.804 -3.474 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.856 13.672 -3.375 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.927 15.760 -4.027 1.00 0.00 O ATOM 0 H ASP A 79 4.704 12.625 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 79 2.930 14.576 -3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.664 16.065 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.012 14.920 -1.809 1.00 0.00 H new ATOM 1064 N GLY A 80 4.620 12.538 -5.177 1.00 0.00 N ATOM 1065 CA GLY A 80 4.920 12.122 -6.531 1.00 0.00 C ATOM 1066 C GLY A 80 6.411 12.044 -6.811 1.00 0.00 C ATOM 1067 O GLY A 80 6.818 11.602 -7.882 1.00 0.00 O ATOM 0 H GLY A 80 4.766 11.819 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.470 11.146 -6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.461 12.821 -7.230 1.00 0.00 H new ATOM 1071 N THR A 81 7.228 12.464 -5.853 1.00 0.00 N ATOM 1072 CA THR A 81 8.672 12.440 -6.019 1.00 0.00 C ATOM 1073 C THR A 81 9.265 11.174 -5.414 1.00 0.00 C ATOM 1074 O THR A 81 8.835 10.720 -4.353 1.00 0.00 O ATOM 1075 CB THR A 81 9.316 13.676 -5.363 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.641 14.860 -5.805 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.796 13.776 -5.704 1.00 0.00 C ATOM 0 H THR A 81 6.913 12.825 -4.953 1.00 0.00 H new ATOM 0 HA THR A 81 8.884 12.454 -7.088 1.00 0.00 H new ATOM 0 HB THR A 81 9.222 13.575 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.310 15.357 -5.028 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.221 14.659 -5.226 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.313 12.885 -5.346 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.916 13.856 -6.784 1.00 0.00 H new ATOM 1085 N ARG A 82 10.232 10.589 -6.110 1.00 0.00 N ATOM 1086 CA ARG A 82 10.890 9.387 -5.631 1.00 0.00 C ATOM 1087 C ARG A 82 11.827 9.718 -4.478 1.00 0.00 C ATOM 1088 O ARG A 82 12.470 10.769 -4.471 1.00 0.00 O ATOM 1089 CB ARG A 82 11.659 8.710 -6.774 1.00 0.00 C ATOM 1090 CG ARG A 82 12.683 9.610 -7.459 1.00 0.00 C ATOM 1091 CD ARG A 82 14.086 9.377 -6.912 1.00 0.00 C ATOM 1092 NE ARG A 82 14.516 7.992 -7.085 1.00 0.00 N ATOM 1093 CZ ARG A 82 15.581 7.456 -6.488 1.00 0.00 C ATOM 1094 NH1 ARG A 82 16.324 8.179 -5.653 1.00 0.00 N ATOM 1095 NH2 ARG A 82 15.899 6.187 -6.727 1.00 0.00 N ATOM 0 H ARG A 82 10.576 10.930 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 82 10.130 8.695 -5.268 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.170 7.830 -6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.945 8.359 -7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.674 9.422 -8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.404 10.654 -7.316 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.787 10.041 -7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.110 9.635 -5.853 1.00 0.00 H new ATOM 0 HE ARG A 82 13.966 7.396 -7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.080 9.152 -5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.137 7.760 -5.201 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.329 5.630 -7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.712 5.771 -6.274 1.00 0.00 H new ATOM 1109 N TRP A 83 11.890 8.833 -3.493 1.00 0.00 N ATOM 1110 CA TRP A 83 12.760 9.049 -2.349 1.00 0.00 C ATOM 1111 C TRP A 83 13.955 8.106 -2.407 1.00 0.00 C ATOM 1112 O TRP A 83 15.047 8.439 -1.948 1.00 0.00 O ATOM 1113 CB TRP A 83 12.000 8.857 -1.033 1.00 0.00 C ATOM 1114 CG TRP A 83 12.795 9.281 0.168 1.00 0.00 C ATOM 1115 CD1 TRP A 83 13.204 8.493 1.206 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.292 10.597 0.443 1.00 0.00 C ATOM 1117 NE1 TRP A 83 13.921 9.240 2.109 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.989 10.532 1.666 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.213 11.824 -0.222 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.601 11.644 2.233 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.824 12.928 0.341 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.510 12.831 1.558 1.00 0.00 C ATOM 0 H TRP A 83 11.353 7.966 -3.464 1.00 0.00 H new ATOM 0 HA TRP A 83 13.118 10.078 -2.388 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.072 9.428 -1.068 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.725 7.808 -0.928 1.00 0.00 H new ATOM 0 HD1 TRP A 83 12.995 7.438 1.303 1.00 0.00 H new ATOM 0 HE1 TRP A 83 14.336 8.887 2.971 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.684 11.908 -1.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.129 11.574 3.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.772 13.881 -0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.977 13.712 1.973 1.00 0.00 H new ATOM 1133 N GLY A 84 13.748 6.935 -2.990 1.00 0.00 N ATOM 1134 CA GLY A 84 14.815 5.965 -3.098 1.00 0.00 C ATOM 1135 C GLY A 84 14.338 4.664 -3.698 1.00 0.00 C ATOM 1136 O GLY A 84 13.326 4.633 -4.396 1.00 0.00 O ATOM 0 H GLY A 84 12.858 6.640 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.617 6.375 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.235 5.776 -2.110 1.00 0.00 H new ATOM 1140 N THR A 85 15.056 3.590 -3.426 1.00 0.00 N ATOM 1141 CA THR A 85 14.696 2.283 -3.945 1.00 0.00 C ATOM 1142 C THR A 85 14.520 1.286 -2.800 1.00 0.00 C ATOM 1143 O THR A 85 15.256 1.328 -1.815 1.00 0.00 O ATOM 1144 CB THR A 85 15.770 1.773 -4.927 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.387 2.891 -5.587 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.165 0.838 -5.965 1.00 0.00 C ATOM 0 H THR A 85 15.895 3.597 -2.846 1.00 0.00 H new ATOM 0 HA THR A 85 13.751 2.377 -4.480 1.00 0.00 H new ATOM 0 HB THR A 85 16.517 1.217 -4.360 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.071 2.567 -6.210 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.945 0.494 -6.644 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.716 -0.020 -5.464 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.400 1.369 -6.531 1.00 0.00 H new ATOM 1154 N VAL A 86 13.538 0.402 -2.922 1.00 0.00 N ATOM 1155 CA VAL A 86 13.275 -0.587 -1.887 1.00 0.00 C ATOM 1156 C VAL A 86 13.305 -1.993 -2.471 1.00 0.00 C ATOM 1157 O VAL A 86 12.504 -2.339 -3.337 1.00 0.00 O ATOM 1158 CB VAL A 86 11.911 -0.357 -1.196 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.774 -1.253 0.027 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.732 1.104 -0.810 1.00 0.00 C ATOM 0 H VAL A 86 12.912 0.350 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 86 14.061 -0.477 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 86 11.126 -0.616 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.808 -1.077 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.844 -2.297 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.571 -1.027 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.764 1.237 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.525 1.398 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.778 1.725 -1.705 1.00 0.00 H new ATOM 1170 N ASP A 87 14.238 -2.796 -2.002 1.00 0.00 N ATOM 1171 CA ASP A 87 14.360 -4.158 -2.478 1.00 0.00 C ATOM 1172 C ASP A 87 13.782 -5.131 -1.461 1.00 0.00 C ATOM 1173 O ASP A 87 14.114 -5.078 -0.274 1.00 0.00 O ATOM 1174 CB ASP A 87 15.819 -4.502 -2.764 1.00 0.00 C ATOM 1175 CG ASP A 87 15.978 -5.913 -3.283 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.794 -6.132 -4.502 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.284 -6.813 -2.476 1.00 0.00 O ATOM 0 H ASP A 87 14.921 -2.530 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 87 13.796 -4.245 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.220 -3.800 -3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.405 -4.383 -1.852 1.00 0.00 H new ATOM 1182 N CYS A 88 12.913 -6.011 -1.928 1.00 0.00 N ATOM 1183 CA CYS A 88 12.289 -7.000 -1.067 1.00 0.00 C ATOM 1184 C CYS A 88 12.854 -8.389 -1.358 1.00 0.00 C ATOM 1185 O CYS A 88 12.221 -9.405 -1.073 1.00 0.00 O ATOM 1186 CB CYS A 88 10.765 -6.995 -1.247 1.00 0.00 C ATOM 1187 SG CYS A 88 9.940 -5.516 -0.568 1.00 0.00 S ATOM 0 H CYS A 88 12.623 -6.060 -2.905 1.00 0.00 H new ATOM 0 HA CYS A 88 12.511 -6.741 -0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.535 -7.070 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.350 -7.882 -0.767 1.00 0.00 H new ATOM 1192 N THR A 89 14.047 -8.426 -1.944 1.00 0.00 N ATOM 1193 CA THR A 89 14.705 -9.686 -2.254 1.00 0.00 C ATOM 1194 C THR A 89 15.524 -10.140 -1.054 1.00 0.00 C ATOM 1195 O THR A 89 15.673 -11.333 -0.796 1.00 0.00 O ATOM 1196 CB THR A 89 15.627 -9.553 -3.485 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.021 -8.691 -4.460 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.894 -10.915 -4.107 1.00 0.00 C ATOM 0 H THR A 89 14.576 -7.596 -2.213 1.00 0.00 H new ATOM 0 HA THR A 89 13.935 -10.423 -2.484 1.00 0.00 H new ATOM 0 HB THR A 89 16.575 -9.125 -3.158 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.601 -7.917 -4.618 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.546 -10.798 -4.973 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.377 -11.561 -3.374 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.951 -11.363 -4.421 1.00 0.00 H new ATOM 1206 N THR A 90 16.036 -9.171 -0.316 1.00 0.00 N ATOM 1207 CA THR A 90 16.831 -9.449 0.866 1.00 0.00 C ATOM 1208 C THR A 90 16.132 -8.915 2.117 1.00 0.00 C ATOM 1209 O THR A 90 16.726 -8.831 3.196 1.00 0.00 O ATOM 1210 CB THR A 90 18.242 -8.832 0.736 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.105 -9.326 1.766 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.190 -7.315 0.808 1.00 0.00 C ATOM 0 H THR A 90 15.914 -8.178 -0.517 1.00 0.00 H new ATOM 0 HA THR A 90 16.937 -10.530 0.959 1.00 0.00 H new ATOM 0 HB THR A 90 18.636 -9.123 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.633 -9.308 2.625 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.198 -6.911 0.714 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.569 -6.933 -0.002 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.766 -7.010 1.765 1.00 0.00 H new ATOM 1220 N ALA A 91 14.860 -8.567 1.968 1.00 0.00 N ATOM 1221 CA ALA A 91 14.080 -8.039 3.074 1.00 0.00 C ATOM 1222 C ALA A 91 12.607 -8.381 2.905 1.00 0.00 C ATOM 1223 O ALA A 91 12.162 -8.725 1.809 1.00 0.00 O ATOM 1224 CB ALA A 91 14.268 -6.532 3.181 1.00 0.00 C ATOM 0 H ALA A 91 14.348 -8.642 1.089 1.00 0.00 H new ATOM 0 HA ALA A 91 14.434 -8.501 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.678 -6.150 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.321 -6.308 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.940 -6.058 2.256 1.00 0.00 H new ATOM 1230 N ALA A 92 11.856 -8.298 3.993 1.00 0.00 N ATOM 1231 CA ALA A 92 10.433 -8.583 3.959 1.00 0.00 C ATOM 1232 C ALA A 92 9.677 -7.395 3.390 1.00 0.00 C ATOM 1233 O ALA A 92 9.932 -6.247 3.765 1.00 0.00 O ATOM 1234 CB ALA A 92 9.923 -8.920 5.351 1.00 0.00 C ATOM 0 H ALA A 92 12.212 -8.035 4.912 1.00 0.00 H new ATOM 0 HA ALA A 92 10.265 -9.446 3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.855 -9.131 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.450 -9.796 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.098 -8.075 6.017 1.00 0.00 H new ATOM 1240 N CYS A 93 8.762 -7.669 2.478 1.00 0.00 N ATOM 1241 CA CYS A 93 7.969 -6.620 1.857 1.00 0.00 C ATOM 1242 C CYS A 93 6.759 -6.307 2.727 1.00 0.00 C ATOM 1243 O CYS A 93 6.541 -6.952 3.751 1.00 0.00 O ATOM 1244 CB CYS A 93 7.530 -7.055 0.451 1.00 0.00 C ATOM 1245 SG CYS A 93 7.961 -5.871 -0.865 1.00 0.00 S ATOM 0 H CYS A 93 8.548 -8.611 2.149 1.00 0.00 H new ATOM 0 HA CYS A 93 8.573 -5.718 1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.986 -8.018 0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.450 -7.205 0.450 1.00 0.00 H new ATOM 1250 N GLN A 94 5.984 -5.312 2.335 1.00 0.00 N ATOM 1251 CA GLN A 94 4.802 -4.927 3.089 1.00 0.00 C ATOM 1252 C GLN A 94 3.862 -4.115 2.213 1.00 0.00 C ATOM 1253 O GLN A 94 4.278 -3.572 1.192 1.00 0.00 O ATOM 1254 CB GLN A 94 5.193 -4.121 4.330 1.00 0.00 C ATOM 1255 CG GLN A 94 6.183 -3.003 4.049 1.00 0.00 C ATOM 1256 CD GLN A 94 6.801 -2.439 5.311 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.972 -2.064 5.326 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.020 -2.365 6.380 1.00 0.00 N ATOM 0 H GLN A 94 6.151 -4.754 1.498 1.00 0.00 H new ATOM 0 HA GLN A 94 4.290 -5.833 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.293 -3.694 4.773 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.623 -4.796 5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.973 -3.378 3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.678 -2.203 3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.053 -2.686 6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.386 -1.987 7.254 1.00 0.00 H new ATOM 1267 N VAL A 95 2.599 -4.043 2.614 1.00 0.00 N ATOM 1268 CA VAL A 95 1.589 -3.305 1.868 1.00 0.00 C ATOM 1269 C VAL A 95 0.745 -2.455 2.813 1.00 0.00 C ATOM 1270 O VAL A 95 0.387 -2.900 3.906 1.00 0.00 O ATOM 1271 CB VAL A 95 0.657 -4.257 1.076 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.388 -3.477 0.291 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.461 -5.149 0.143 1.00 0.00 C ATOM 0 H VAL A 95 2.248 -4.492 3.460 1.00 0.00 H new ATOM 0 HA VAL A 95 2.114 -2.663 1.161 1.00 0.00 H new ATOM 0 HB VAL A 95 0.139 -4.888 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.027 -4.172 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.996 -2.889 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.109 -2.811 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.785 -5.808 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.014 -4.531 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.161 -5.748 0.726 1.00 0.00 H new ATOM 1283 N GLY A 96 0.444 -1.231 2.400 1.00 0.00 N ATOM 1284 CA GLY A 96 -0.367 -0.353 3.217 1.00 0.00 C ATOM 1285 C GLY A 96 -1.203 0.580 2.370 1.00 0.00 C ATOM 1286 O GLY A 96 -1.068 0.597 1.143 1.00 0.00 O ATOM 0 H GLY A 96 0.748 -0.831 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.019 -0.949 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.277 0.231 3.875 1.00 0.00 H new ATOM 1290 N LEU A 97 -2.066 1.349 3.018 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.931 2.289 2.320 1.00 0.00 C ATOM 1292 C LEU A 97 -3.057 3.580 3.109 1.00 0.00 C ATOM 1293 O LEU A 97 -2.900 3.591 4.331 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.325 1.694 2.090 1.00 0.00 C ATOM 1295 CG LEU A 97 -5.189 1.532 3.344 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -6.634 1.888 3.041 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -5.092 0.111 3.879 1.00 0.00 C ATOM 0 H LEU A 97 -2.186 1.340 4.031 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.477 2.498 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.859 2.328 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.211 0.717 1.620 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.818 2.214 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.235 1.768 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.691 2.923 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.015 1.230 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.712 0.015 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.438 -0.589 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.056 -0.112 4.132 1.00 0.00 H new ATOM 1309 N SER A 98 -3.326 4.662 2.406 1.00 0.00 N ATOM 1310 CA SER A 98 -3.490 5.960 3.030 1.00 0.00 C ATOM 1311 C SER A 98 -4.455 6.814 2.220 1.00 0.00 C ATOM 1312 O SER A 98 -4.557 6.655 1.004 1.00 0.00 O ATOM 1313 CB SER A 98 -2.137 6.667 3.160 1.00 0.00 C ATOM 1314 OG SER A 98 -1.241 5.907 3.957 1.00 0.00 O ATOM 0 H SER A 98 -3.437 4.667 1.392 1.00 0.00 H new ATOM 0 HA SER A 98 -3.902 5.815 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.707 6.822 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.279 7.652 3.604 1.00 0.00 H new ATOM 0 HG SER A 98 -0.384 6.377 4.024 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.187 7.686 2.899 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.132 8.573 2.231 1.00 0.00 C ATOM 1322 C ASP A 99 -5.400 9.784 1.663 1.00 0.00 C ATOM 1323 O ASP A 99 -4.170 9.809 1.632 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.221 9.034 3.207 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.755 10.137 4.136 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.811 9.903 4.917 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.329 11.244 4.086 1.00 0.00 O ATOM 0 H ASP A 99 -5.145 7.799 3.912 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.604 8.024 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.084 9.384 2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.553 8.182 3.801 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.162 10.780 1.223 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.593 12.001 0.666 1.00 0.00 C ATOM 1334 C ALA A 100 -4.684 12.692 1.678 1.00 0.00 C ATOM 1335 O ALA A 100 -3.646 13.247 1.315 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.698 12.946 0.218 1.00 0.00 C ATOM 0 H ALA A 100 -7.182 10.764 1.242 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.992 11.728 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.256 13.853 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.307 12.459 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.324 13.204 1.072 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.074 12.653 2.948 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.287 13.270 4.003 1.00 0.00 C ATOM 1344 C ALA A 101 -3.079 12.405 4.340 1.00 0.00 C ATOM 1345 O ALA A 101 -1.941 12.878 4.324 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.141 13.504 5.240 1.00 0.00 C ATOM 0 H ALA A 101 -5.930 12.200 3.269 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.930 14.236 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.534 13.966 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.973 14.162 4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.529 12.551 5.600 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.329 11.136 4.635 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.249 10.226 4.963 1.00 0.00 C ATOM 1354 C GLY A 102 -2.532 9.415 6.210 1.00 0.00 C ATOM 1355 O GLY A 102 -1.644 9.208 7.041 1.00 0.00 O ATOM 0 H GLY A 102 -4.260 10.721 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.081 9.550 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.330 10.794 5.104 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.768 8.966 6.355 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.162 8.173 7.509 1.00 0.00 C ATOM 1361 C ASN A 103 -5.023 6.991 7.085 1.00 0.00 C ATOM 1362 O ASN A 103 -5.399 6.876 5.915 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.928 9.041 8.508 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.110 9.365 9.745 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.296 8.561 10.200 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.327 10.546 10.304 1.00 0.00 N ATOM 0 H ASN A 103 -4.518 9.138 5.686 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.259 7.791 7.984 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.229 9.969 8.022 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.842 8.526 8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.811 10.816 11.141 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.010 11.185 9.897 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.334 6.125 8.039 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.148 4.959 7.765 1.00 0.00 C ATOM 1375 C GLY A 104 -5.705 3.773 8.594 1.00 0.00 C ATOM 1376 O GLY A 104 -5.162 3.958 9.686 1.00 0.00 O ATOM 0 H GLY A 104 -5.032 6.212 9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.193 5.184 7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.085 4.709 6.706 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.933 2.539 8.118 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.524 1.327 8.833 1.00 0.00 C ATOM 1382 C PRO A 105 -4.002 1.184 8.890 1.00 0.00 C ATOM 1383 O PRO A 105 -3.271 1.912 8.214 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.145 0.184 8.015 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.144 0.835 7.118 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.628 2.223 6.862 1.00 0.00 C ATOM 0 HA PRO A 105 -5.853 1.338 9.872 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.385 -0.344 7.439 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.621 -0.551 8.665 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.251 0.280 6.186 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.128 0.865 7.586 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.954 2.254 6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.436 2.925 6.657 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.527 0.241 9.691 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.095 0.022 9.836 1.00 0.00 C ATOM 1396 C GLU A 106 -1.542 -0.775 8.662 1.00 0.00 C ATOM 1397 O GLU A 106 -2.285 -1.468 7.962 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.798 -0.712 11.143 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.124 0.099 12.382 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.779 -0.636 13.657 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.576 -0.809 13.944 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -2.713 -1.054 14.376 1.00 0.00 O ATOM 0 H GLU A 106 -4.110 -0.383 10.249 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.608 0.997 9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.368 -1.641 11.166 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.743 -0.985 11.165 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.578 1.042 12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.186 0.345 12.383 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.238 -0.669 8.450 1.00 0.00 N ATOM 1410 CA GLY A 107 0.402 -1.389 7.369 1.00 0.00 C ATOM 1411 C GLY A 107 0.737 -2.816 7.762 1.00 0.00 C ATOM 1412 O GLY A 107 1.157 -3.074 8.893 1.00 0.00 O ATOM 0 H GLY A 107 0.391 -0.094 9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.254 -1.396 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.314 -0.869 7.076 1.00 0.00 H new ATOM 1416 N VAL A 108 0.561 -3.742 6.834 1.00 0.00 N ATOM 1417 CA VAL A 108 0.829 -5.151 7.095 1.00 0.00 C ATOM 1418 C VAL A 108 2.033 -5.623 6.293 1.00 0.00 C ATOM 1419 O VAL A 108 2.160 -5.315 5.107 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.395 -6.032 6.756 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.131 -7.486 7.122 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.634 -5.520 7.474 1.00 0.00 C ATOM 0 H VAL A 108 0.232 -3.545 5.889 1.00 0.00 H new ATOM 0 HA VAL A 108 1.041 -5.250 8.160 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.569 -5.976 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.005 -8.088 6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.731 -7.851 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.071 -7.561 8.190 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.486 -6.152 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.467 -5.545 8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.838 -4.496 7.162 1.00 0.00 H new ATOM 1432 N ALA A 109 2.919 -6.358 6.951 1.00 0.00 N ATOM 1433 CA ALA A 109 4.114 -6.874 6.304 1.00 0.00 C ATOM 1434 C ALA A 109 3.848 -8.243 5.696 1.00 0.00 C ATOM 1435 O ALA A 109 3.050 -9.019 6.221 1.00 0.00 O ATOM 1436 CB ALA A 109 5.267 -6.958 7.291 1.00 0.00 C ATOM 0 H ALA A 109 2.831 -6.610 7.935 1.00 0.00 H new ATOM 0 HA ALA A 109 4.388 -6.184 5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.151 -7.347 6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.482 -5.965 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.996 -7.623 8.111 1.00 0.00 H new ATOM 1442 N ILE A 110 4.517 -8.528 4.586 1.00 0.00 N ATOM 1443 CA ILE A 110 4.370 -9.797 3.893 1.00 0.00 C ATOM 1444 C ILE A 110 5.739 -10.338 3.480 1.00 0.00 C ATOM 1445 O ILE A 110 6.390 -9.807 2.578 1.00 0.00 O ATOM 1446 CB ILE A 110 3.455 -9.674 2.649 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.850 -8.467 1.789 1.00 0.00 C ATOM 1448 CG2 ILE A 110 1.996 -9.557 3.074 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.310 -8.531 0.378 1.00 0.00 C ATOM 0 H ILE A 110 5.175 -7.886 4.143 1.00 0.00 H new ATOM 0 HA ILE A 110 3.898 -10.493 4.586 1.00 0.00 H new ATOM 0 HB ILE A 110 3.580 -10.576 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.489 -7.556 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.937 -8.398 1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.365 -9.471 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.710 -10.444 3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.869 -8.672 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.628 -7.646 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.691 -9.424 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.221 -8.569 0.407 1.00 0.00 H new ATOM 1461 N SER A 111 6.186 -11.374 4.169 1.00 0.00 N ATOM 1462 CA SER A 111 7.471 -11.989 3.880 1.00 0.00 C ATOM 1463 C SER A 111 7.304 -13.085 2.832 1.00 0.00 C ATOM 1464 O SER A 111 6.323 -13.833 2.852 1.00 0.00 O ATOM 1465 CB SER A 111 8.072 -12.555 5.169 1.00 0.00 C ATOM 1466 OG SER A 111 7.934 -11.628 6.232 1.00 0.00 O ATOM 0 H SER A 111 5.675 -11.809 4.937 1.00 0.00 H new ATOM 0 HA SER A 111 8.151 -11.237 3.480 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.576 -13.490 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.126 -12.786 5.015 1.00 0.00 H new ATOM 0 HG SER A 111 8.322 -12.007 7.049 1.00 0.00 H new ATOM 1472 N PHE A 112 8.250 -13.165 1.906 1.00 0.00 N ATOM 1473 CA PHE A 112 8.199 -14.171 0.857 1.00 0.00 C ATOM 1474 C PHE A 112 8.797 -15.482 1.355 1.00 0.00 C ATOM 1475 O PHE A 112 9.446 -15.513 2.405 1.00 0.00 O ATOM 1476 CB PHE A 112 8.955 -13.691 -0.385 1.00 0.00 C ATOM 1477 CG PHE A 112 8.473 -12.373 -0.929 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.123 -12.055 -0.952 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.380 -11.452 -1.424 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.690 -10.846 -1.462 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.953 -10.242 -1.933 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.608 -9.937 -1.952 1.00 0.00 C ATOM 0 H PHE A 112 9.060 -12.546 1.861 1.00 0.00 H new ATOM 0 HA PHE A 112 7.155 -14.336 0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.014 -13.605 -0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.867 -14.447 -1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.402 -12.761 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.435 -11.683 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.636 -10.612 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.672 -9.534 -2.317 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.273 -8.990 -2.349 1.00 0.00 H new ATOM 1492 N ASN A 113 8.573 -16.558 0.617 1.00 0.00 N ATOM 1493 CA ASN A 113 9.111 -17.859 0.996 1.00 0.00 C ATOM 1494 C ASN A 113 10.514 -18.020 0.438 1.00 0.00 C ATOM 1495 O ASN A 113 11.313 -18.768 1.035 1.00 0.00 O ATOM 1496 CB ASN A 113 8.221 -19.002 0.498 1.00 0.00 C ATOM 1497 CG ASN A 113 8.049 -19.002 -1.009 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.923 -19.454 -1.751 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.910 -18.518 -1.469 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.816 -17.386 -0.593 1.00 0.00 O ATOM 0 H ASN A 113 8.026 -16.559 -0.244 1.00 0.00 H new ATOM 0 HA ASN A 113 9.141 -17.905 2.085 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.652 -19.954 0.810 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.242 -18.926 0.970 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.728 -18.509 -2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.212 -18.153 -0.821 1.00 0.00 H new