USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 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 Single : A 1 ALA N :NH3+ -129:sc= 0.129 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 26:sc= 0.596 USER MOD Single : A 6 THR OG1 : rot 25:sc= 0.922 USER MOD Single : A 8 THR OG1 : rot 68:sc= -0.636 USER MOD Single : A 10 SER OG : rot -160:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -1.42 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 109:sc= 1.3 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.92) USER MOD Single : A 30 THR OG1 : rot -52:sc= 0.215 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0719 USER MOD Single : A 36 GLN : amide:sc= 2.54 K(o=2.5,f=-6.5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.82 K(o=-1.8,f=-8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -97:sc= 1.26 USER MOD Single : A 56 THR OG1 : rot 18:sc= 1.23 USER MOD Single : A 60 ASN : amide:sc= 1.1 K(o=1.1,f=-0.16) USER MOD Single : A 62 SER OG : rot 55:sc= 1.29 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 150:sc= -0.031 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 -94:sc= 1.27 USER MOD Single : A 81 THR OG1 : rot 102:sc= 0.389 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 116:sc= 0.412 USER MOD Single : A 90 THR OG1 : rot -41:sc= 0.859 USER MOD Single : A 94 GLN : amide:sc= -0.786 K(o=-0.79,f=-4.1!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0575 USER MOD Single : A 103 ASN : amide:sc= -0.0492 K(o=-0.049,f=-1.3!) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0433 USER MOD Single : A 113 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.593 5.831 15.689 1.00 0.00 N ATOM 2 CA ALA A 1 -16.330 4.617 15.273 1.00 0.00 C ATOM 3 C ALA A 1 -15.392 3.418 15.247 1.00 0.00 C ATOM 4 O ALA A 1 -14.235 3.521 15.657 1.00 0.00 O ATOM 5 CB ALA A 1 -16.966 4.823 13.907 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.106 6.300 16.463 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.642 5.565 16.015 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.513 6.482 14.882 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.123 4.425 15.996 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.504 3.921 13.616 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.661 5.661 13.952 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.189 5.035 13.172 1.00 0.00 H new ATOM 11 N ALA A 2 -15.888 2.280 14.780 1.00 0.00 N ATOM 12 CA ALA A 2 -15.081 1.073 14.701 1.00 0.00 C ATOM 13 C ALA A 2 -14.902 0.648 13.246 1.00 0.00 C ATOM 14 O ALA A 2 -15.754 -0.038 12.683 1.00 0.00 O ATOM 15 CB ALA A 2 -15.717 -0.046 15.517 1.00 0.00 C ATOM 0 H ALA A 2 -16.847 2.169 14.450 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.097 1.283 15.119 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.101 -0.942 15.447 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.793 0.262 16.560 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.713 -0.259 15.128 1.00 0.00 H new ATOM 21 N PRO A 3 -13.799 1.064 12.606 1.00 0.00 N ATOM 22 CA PRO A 3 -13.527 0.715 11.213 1.00 0.00 C ATOM 23 C PRO A 3 -13.253 -0.777 11.047 1.00 0.00 C ATOM 24 O PRO A 3 -12.696 -1.423 11.936 1.00 0.00 O ATOM 25 CB PRO A 3 -12.284 1.537 10.866 1.00 0.00 C ATOM 26 CG PRO A 3 -11.623 1.805 12.173 1.00 0.00 C ATOM 27 CD PRO A 3 -12.731 1.900 13.186 1.00 0.00 C ATOM 0 HA PRO A 3 -14.376 0.927 10.563 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.623 0.989 10.194 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.553 2.465 10.362 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.927 1.006 12.429 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.047 2.730 12.137 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.416 1.529 14.162 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.059 2.930 13.327 1.00 0.00 H new ATOM 35 N THR A 4 -13.657 -1.322 9.912 1.00 0.00 N ATOM 36 CA THR A 4 -13.461 -2.734 9.637 1.00 0.00 C ATOM 37 C THR A 4 -12.513 -2.929 8.461 1.00 0.00 C ATOM 38 O THR A 4 -12.930 -2.918 7.299 1.00 0.00 O ATOM 39 CB THR A 4 -14.805 -3.432 9.357 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.663 -2.557 8.614 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.480 -3.825 10.660 1.00 0.00 C ATOM 0 H THR A 4 -14.123 -0.807 9.165 1.00 0.00 H new ATOM 0 HA THR A 4 -13.015 -3.187 10.522 1.00 0.00 H new ATOM 0 HB THR A 4 -14.614 -4.333 8.774 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.119 -1.924 8.100 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.428 -4.317 10.444 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.834 -4.508 11.213 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.662 -2.933 11.259 1.00 0.00 H new ATOM 49 N ALA A 5 -11.233 -3.072 8.768 1.00 0.00 N ATOM 50 CA ALA A 5 -10.220 -3.264 7.748 1.00 0.00 C ATOM 51 C ALA A 5 -9.917 -4.745 7.578 1.00 0.00 C ATOM 52 O ALA A 5 -9.516 -5.419 8.528 1.00 0.00 O ATOM 53 CB ALA A 5 -8.956 -2.491 8.099 1.00 0.00 C ATOM 0 H ALA A 5 -10.872 -3.058 9.722 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.601 -2.880 6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.207 -2.647 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.188 -1.428 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.567 -2.844 9.054 1.00 0.00 H new ATOM 59 N THR A 6 -10.116 -5.249 6.372 1.00 0.00 N ATOM 60 CA THR A 6 -9.870 -6.650 6.081 1.00 0.00 C ATOM 61 C THR A 6 -8.853 -6.800 4.954 1.00 0.00 C ATOM 62 O THR A 6 -9.133 -6.462 3.803 1.00 0.00 O ATOM 63 CB THR A 6 -11.178 -7.369 5.696 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.010 -6.489 4.925 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.932 -7.824 6.934 1.00 0.00 C ATOM 0 H THR A 6 -10.449 -4.705 5.576 1.00 0.00 H new ATOM 0 HA THR A 6 -9.467 -7.109 6.984 1.00 0.00 H new ATOM 0 HB THR A 6 -10.922 -8.247 5.102 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.452 -5.819 4.478 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.851 -8.328 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.310 -8.512 7.506 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.177 -6.958 7.550 1.00 0.00 H new ATOM 73 N VAL A 7 -7.670 -7.289 5.279 1.00 0.00 N ATOM 74 CA VAL A 7 -6.633 -7.463 4.276 1.00 0.00 C ATOM 75 C VAL A 7 -6.217 -8.921 4.168 1.00 0.00 C ATOM 76 O VAL A 7 -6.338 -9.688 5.125 1.00 0.00 O ATOM 77 CB VAL A 7 -5.385 -6.604 4.574 1.00 0.00 C ATOM 78 CG1 VAL A 7 -5.729 -5.123 4.517 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.785 -6.964 5.924 1.00 0.00 C ATOM 0 H VAL A 7 -7.404 -7.571 6.222 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.062 -7.133 3.330 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.639 -6.814 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.837 -4.534 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.100 -4.874 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.497 -4.899 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.908 -6.344 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.523 -6.792 6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.494 -8.014 5.924 1.00 0.00 H new ATOM 89 N THR A 8 -5.742 -9.296 2.993 1.00 0.00 N ATOM 90 CA THR A 8 -5.295 -10.656 2.745 1.00 0.00 C ATOM 91 C THR A 8 -3.774 -10.690 2.609 1.00 0.00 C ATOM 92 O THR A 8 -3.223 -10.273 1.590 1.00 0.00 O ATOM 93 CB THR A 8 -5.948 -11.216 1.469 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.219 -10.579 1.262 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.148 -12.719 1.569 1.00 0.00 C ATOM 0 H THR A 8 -5.656 -8.673 2.190 1.00 0.00 H new ATOM 0 HA THR A 8 -5.593 -11.277 3.590 1.00 0.00 H new ATOM 0 HB THR A 8 -5.285 -11.012 0.628 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.079 -9.635 1.039 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.611 -13.086 0.653 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.183 -13.206 1.708 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.794 -12.944 2.418 1.00 0.00 H new ATOM 103 N PRO A 9 -3.077 -11.165 3.651 1.00 0.00 N ATOM 104 CA PRO A 9 -1.616 -11.228 3.658 1.00 0.00 C ATOM 105 C PRO A 9 -1.072 -12.357 2.787 1.00 0.00 C ATOM 106 O PRO A 9 -1.537 -13.492 2.856 1.00 0.00 O ATOM 107 CB PRO A 9 -1.284 -11.474 5.129 1.00 0.00 C ATOM 108 CG PRO A 9 -2.473 -12.184 5.679 1.00 0.00 C ATOM 109 CD PRO A 9 -3.662 -11.686 4.901 1.00 0.00 C ATOM 0 HA PRO A 9 -1.167 -10.323 3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.381 -12.076 5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.106 -10.536 5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.364 -13.263 5.574 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.591 -11.978 6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.375 -12.487 4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.198 -10.909 5.445 1.00 0.00 H new ATOM 117 N SER A 10 -0.074 -12.033 1.973 1.00 0.00 N ATOM 118 CA SER A 10 0.550 -13.010 1.088 1.00 0.00 C ATOM 119 C SER A 10 1.705 -13.719 1.793 1.00 0.00 C ATOM 120 O SER A 10 2.655 -14.178 1.155 1.00 0.00 O ATOM 121 CB SER A 10 1.056 -12.305 -0.171 1.00 0.00 C ATOM 122 OG SER A 10 0.163 -11.275 -0.564 1.00 0.00 O ATOM 0 H SER A 10 0.322 -11.095 1.908 1.00 0.00 H new ATOM 0 HA SER A 10 -0.191 -13.760 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.044 -11.885 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.164 -13.028 -0.980 1.00 0.00 H new ATOM 0 HG SER A 10 0.314 -11.053 -1.507 1.00 0.00 H new ATOM 128 N SER A 11 1.606 -13.811 3.111 1.00 0.00 N ATOM 129 CA SER A 11 2.627 -14.443 3.927 1.00 0.00 C ATOM 130 C SER A 11 2.789 -15.917 3.566 1.00 0.00 C ATOM 131 O SER A 11 1.836 -16.700 3.642 1.00 0.00 O ATOM 132 CB SER A 11 2.248 -14.290 5.397 1.00 0.00 C ATOM 133 OG SER A 11 1.464 -13.123 5.588 1.00 0.00 O ATOM 0 H SER A 11 0.815 -13.449 3.643 1.00 0.00 H new ATOM 0 HA SER A 11 3.584 -13.956 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.692 -15.167 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.149 -14.234 6.007 1.00 0.00 H new ATOM 0 HG SER A 11 1.227 -13.039 6.535 1.00 0.00 H new ATOM 139 N GLY A 12 3.994 -16.284 3.153 1.00 0.00 N ATOM 140 CA GLY A 12 4.265 -17.656 2.785 1.00 0.00 C ATOM 141 C GLY A 12 4.163 -17.889 1.292 1.00 0.00 C ATOM 142 O GLY A 12 4.431 -18.986 0.808 1.00 0.00 O ATOM 0 H GLY A 12 4.790 -15.652 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.264 -17.929 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.563 -18.312 3.300 1.00 0.00 H new ATOM 146 N LEU A 13 3.779 -16.859 0.552 1.00 0.00 N ATOM 147 CA LEU A 13 3.646 -16.976 -0.892 1.00 0.00 C ATOM 148 C LEU A 13 4.891 -16.448 -1.597 1.00 0.00 C ATOM 149 O LEU A 13 5.909 -16.177 -0.958 1.00 0.00 O ATOM 150 CB LEU A 13 2.392 -16.237 -1.373 1.00 0.00 C ATOM 151 CG LEU A 13 1.067 -16.916 -1.020 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.110 -16.052 -1.436 1.00 0.00 C ATOM 153 CD2 LEU A 13 0.974 -18.277 -1.683 1.00 0.00 C ATOM 0 H LEU A 13 3.555 -15.937 0.926 1.00 0.00 H new ATOM 0 HA LEU A 13 3.542 -18.031 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.394 -15.234 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.448 -16.124 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 13 1.033 -17.049 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.041 -16.555 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.058 -15.094 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.077 -15.886 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.025 -18.745 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.034 -18.159 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.796 -18.906 -1.340 1.00 0.00 H new ATOM 165 N SER A 14 4.814 -16.326 -2.911 1.00 0.00 N ATOM 166 CA SER A 14 5.934 -15.840 -3.703 1.00 0.00 C ATOM 167 C SER A 14 5.675 -14.412 -4.184 1.00 0.00 C ATOM 168 O SER A 14 4.779 -13.731 -3.677 1.00 0.00 O ATOM 169 CB SER A 14 6.161 -16.772 -4.893 1.00 0.00 C ATOM 170 OG SER A 14 5.609 -18.057 -4.644 1.00 0.00 O ATOM 0 H SER A 14 3.983 -16.558 -3.456 1.00 0.00 H new ATOM 0 HA SER A 14 6.829 -15.829 -3.081 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.707 -16.344 -5.787 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.229 -16.863 -5.090 1.00 0.00 H new ATOM 0 HG SER A 14 5.765 -18.636 -5.419 1.00 0.00 H new ATOM 176 N ASP A 15 6.457 -13.954 -5.154 1.00 0.00 N ATOM 177 CA ASP A 15 6.290 -12.609 -5.693 1.00 0.00 C ATOM 178 C ASP A 15 5.274 -12.626 -6.830 1.00 0.00 C ATOM 179 O ASP A 15 4.994 -13.683 -7.407 1.00 0.00 O ATOM 180 CB ASP A 15 7.630 -12.045 -6.178 1.00 0.00 C ATOM 181 CG ASP A 15 8.077 -12.636 -7.504 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.242 -13.870 -7.583 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.280 -11.868 -8.468 1.00 0.00 O ATOM 0 H ASP A 15 7.211 -14.491 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 15 5.920 -11.961 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.548 -10.963 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.393 -12.238 -5.424 1.00 0.00 H new ATOM 188 N GLY A 16 4.712 -11.467 -7.139 1.00 0.00 N ATOM 189 CA GLY A 16 3.721 -11.385 -8.196 1.00 0.00 C ATOM 190 C GLY A 16 2.337 -11.730 -7.691 1.00 0.00 C ATOM 191 O GLY A 16 1.375 -11.785 -8.458 1.00 0.00 O ATOM 0 H GLY A 16 4.923 -10.582 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.716 -10.378 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.994 -12.064 -9.004 1.00 0.00 H new ATOM 195 N THR A 17 2.245 -11.964 -6.390 1.00 0.00 N ATOM 196 CA THR A 17 0.988 -12.311 -5.757 1.00 0.00 C ATOM 197 C THR A 17 0.034 -11.121 -5.735 1.00 0.00 C ATOM 198 O THR A 17 0.454 -9.967 -5.596 1.00 0.00 O ATOM 199 CB THR A 17 1.219 -12.818 -4.319 1.00 0.00 C ATOM 200 OG1 THR A 17 2.225 -13.840 -4.324 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.064 -13.373 -3.712 1.00 0.00 C ATOM 0 H THR A 17 3.037 -11.918 -5.749 1.00 0.00 H new ATOM 0 HA THR A 17 0.536 -13.109 -6.346 1.00 0.00 H new ATOM 0 HB THR A 17 1.546 -11.974 -3.712 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.043 -13.496 -3.907 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.134 -13.722 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.822 -12.590 -3.685 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.423 -14.205 -4.318 1.00 0.00 H new ATOM 209 N VAL A 18 -1.244 -11.414 -5.892 1.00 0.00 N ATOM 210 CA VAL A 18 -2.276 -10.395 -5.890 1.00 0.00 C ATOM 211 C VAL A 18 -2.720 -10.089 -4.461 1.00 0.00 C ATOM 212 O VAL A 18 -3.450 -10.870 -3.848 1.00 0.00 O ATOM 213 CB VAL A 18 -3.495 -10.843 -6.725 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.551 -9.755 -6.769 1.00 0.00 C ATOM 215 CG2 VAL A 18 -3.068 -11.223 -8.132 1.00 0.00 C ATOM 0 H VAL A 18 -1.595 -12.363 -6.024 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.857 -9.494 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.929 -11.720 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.399 -10.095 -7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.884 -9.530 -5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.129 -8.857 -7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.941 -11.536 -8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.605 -10.363 -8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.351 -12.043 -8.086 1.00 0.00 H new ATOM 225 N VAL A 19 -2.263 -8.965 -3.927 1.00 0.00 N ATOM 226 CA VAL A 19 -2.626 -8.572 -2.571 1.00 0.00 C ATOM 227 C VAL A 19 -4.029 -7.976 -2.555 1.00 0.00 C ATOM 228 O VAL A 19 -4.272 -6.925 -3.149 1.00 0.00 O ATOM 229 CB VAL A 19 -1.626 -7.553 -1.980 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.804 -7.439 -0.474 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.195 -7.942 -2.322 1.00 0.00 C ATOM 0 H VAL A 19 -1.644 -8.312 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.598 -9.470 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.830 -6.579 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.091 -6.717 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.818 -7.107 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.631 -8.411 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.492 -7.211 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.022 -8.928 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.074 -7.966 -3.405 1.00 0.00 H new ATOM 241 N LYS A 20 -4.948 -8.662 -1.887 1.00 0.00 N ATOM 242 CA LYS A 20 -6.331 -8.213 -1.802 1.00 0.00 C ATOM 243 C LYS A 20 -6.558 -7.358 -0.559 1.00 0.00 C ATOM 244 O LYS A 20 -6.329 -7.809 0.569 1.00 0.00 O ATOM 245 CB LYS A 20 -7.271 -9.421 -1.785 1.00 0.00 C ATOM 246 CG LYS A 20 -8.747 -9.049 -1.752 1.00 0.00 C ATOM 247 CD LYS A 20 -9.629 -10.267 -1.525 1.00 0.00 C ATOM 248 CE LYS A 20 -9.609 -11.200 -2.723 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.398 -12.436 -2.480 1.00 0.00 N ATOM 0 H LYS A 20 -4.759 -9.535 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.544 -7.600 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.079 -10.032 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.041 -10.037 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.921 -8.321 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.023 -8.570 -2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.289 -10.803 -0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.652 -9.945 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.009 -10.680 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.579 -11.468 -2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.358 -13.045 -3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.002 -12.946 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.387 -12.183 -2.282 1.00 0.00 H new ATOM 263 N VAL A 21 -7.008 -6.129 -0.776 1.00 0.00 N ATOM 264 CA VAL A 21 -7.274 -5.195 0.310 1.00 0.00 C ATOM 265 C VAL A 21 -8.732 -4.737 0.274 1.00 0.00 C ATOM 266 O VAL A 21 -9.210 -4.249 -0.750 1.00 0.00 O ATOM 267 CB VAL A 21 -6.350 -3.957 0.228 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.755 -2.902 1.249 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.894 -4.356 0.423 1.00 0.00 C ATOM 0 H VAL A 21 -7.198 -5.753 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.076 -5.717 1.246 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.459 -3.525 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.088 -2.043 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.780 -2.585 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.687 -3.322 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.262 -3.470 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.772 -4.821 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.603 -5.063 -0.354 1.00 0.00 H new ATOM 279 N ALA A 22 -9.432 -4.913 1.390 1.00 0.00 N ATOM 280 CA ALA A 22 -10.829 -4.515 1.497 1.00 0.00 C ATOM 281 C ALA A 22 -11.072 -3.752 2.800 1.00 0.00 C ATOM 282 O ALA A 22 -10.850 -4.278 3.893 1.00 0.00 O ATOM 283 CB ALA A 22 -11.736 -5.736 1.413 1.00 0.00 C ATOM 0 H ALA A 22 -9.050 -5.332 2.238 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.065 -3.852 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.777 -5.422 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.582 -6.239 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.499 -6.422 2.226 1.00 0.00 H new ATOM 289 N GLY A 23 -11.515 -2.510 2.687 1.00 0.00 N ATOM 290 CA GLY A 23 -11.764 -1.703 3.864 1.00 0.00 C ATOM 291 C GLY A 23 -13.183 -1.181 3.914 1.00 0.00 C ATOM 292 O GLY A 23 -13.610 -0.447 3.024 1.00 0.00 O ATOM 0 H GLY A 23 -11.707 -2.045 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.566 -2.296 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.070 -0.863 3.879 1.00 0.00 H new ATOM 296 N ALA A 24 -13.915 -1.571 4.947 1.00 0.00 N ATOM 297 CA ALA A 24 -15.289 -1.127 5.123 1.00 0.00 C ATOM 298 C ALA A 24 -15.393 -0.171 6.300 1.00 0.00 C ATOM 299 O ALA A 24 -14.692 -0.322 7.304 1.00 0.00 O ATOM 300 CB ALA A 24 -16.217 -2.313 5.324 1.00 0.00 C ATOM 0 H ALA A 24 -13.578 -2.197 5.679 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.594 -0.601 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.239 -1.957 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.168 -2.965 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.911 -2.868 6.211 1.00 0.00 H new ATOM 306 N GLY A 25 -16.270 0.810 6.173 1.00 0.00 N ATOM 307 CA GLY A 25 -16.446 1.785 7.227 1.00 0.00 C ATOM 308 C GLY A 25 -15.522 2.965 7.035 1.00 0.00 C ATOM 309 O GLY A 25 -15.278 3.741 7.961 1.00 0.00 O ATOM 0 H GLY A 25 -16.865 0.949 5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.481 2.128 7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.251 1.320 8.193 1.00 0.00 H new ATOM 313 N LEU A 26 -15.008 3.094 5.821 1.00 0.00 N ATOM 314 CA LEU A 26 -14.097 4.172 5.478 1.00 0.00 C ATOM 315 C LEU A 26 -14.865 5.420 5.057 1.00 0.00 C ATOM 316 O LEU A 26 -16.098 5.435 5.067 1.00 0.00 O ATOM 317 CB LEU A 26 -13.163 3.723 4.354 1.00 0.00 C ATOM 318 CG LEU A 26 -12.282 2.512 4.684 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.382 2.175 3.507 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.451 2.774 5.931 1.00 0.00 C ATOM 0 H LEU A 26 -15.210 2.457 5.050 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.506 4.419 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.764 3.487 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.518 4.559 4.083 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.932 1.659 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.763 1.313 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.994 1.941 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.742 3.028 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.834 1.902 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.810 3.640 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.113 2.968 6.775 1.00 0.00 H new ATOM 332 N GLN A 27 -14.136 6.464 4.692 1.00 0.00 N ATOM 333 CA GLN A 27 -14.749 7.711 4.269 1.00 0.00 C ATOM 334 C GLN A 27 -15.307 7.578 2.854 1.00 0.00 C ATOM 335 O GLN A 27 -14.580 7.715 1.870 1.00 0.00 O ATOM 336 CB GLN A 27 -13.726 8.845 4.332 1.00 0.00 C ATOM 337 CG GLN A 27 -14.353 10.225 4.337 1.00 0.00 C ATOM 338 CD GLN A 27 -15.090 10.528 5.626 1.00 0.00 C ATOM 339 OE1 GLN A 27 -14.710 10.061 6.701 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.144 11.319 5.524 1.00 0.00 N ATOM 0 H GLN A 27 -13.116 6.471 4.681 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.573 7.942 4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.119 8.727 5.230 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.052 8.764 3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.576 10.973 4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.045 10.308 3.499 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.422 11.683 4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.679 11.566 6.357 1.00 0.00 H new ATOM 349 N ALA A 28 -16.600 7.303 2.762 1.00 0.00 N ATOM 350 CA ALA A 28 -17.264 7.142 1.475 1.00 0.00 C ATOM 351 C ALA A 28 -17.106 8.385 0.608 1.00 0.00 C ATOM 352 O ALA A 28 -17.440 9.496 1.026 1.00 0.00 O ATOM 353 CB ALA A 28 -18.736 6.824 1.681 1.00 0.00 C ATOM 0 H ALA A 28 -17.214 7.186 3.568 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.790 6.311 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.222 6.706 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.832 5.900 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.211 7.638 2.228 1.00 0.00 H new ATOM 359 N GLY A 29 -16.575 8.196 -0.593 1.00 0.00 N ATOM 360 CA GLY A 29 -16.389 9.307 -1.502 1.00 0.00 C ATOM 361 C GLY A 29 -14.934 9.690 -1.683 1.00 0.00 C ATOM 362 O GLY A 29 -14.569 10.291 -2.691 1.00 0.00 O ATOM 0 H GLY A 29 -16.270 7.292 -0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.814 9.050 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.942 10.170 -1.130 1.00 0.00 H new ATOM 366 N THR A 30 -14.095 9.340 -0.720 1.00 0.00 N ATOM 367 CA THR A 30 -12.681 9.671 -0.805 1.00 0.00 C ATOM 368 C THR A 30 -11.908 8.593 -1.551 1.00 0.00 C ATOM 369 O THR A 30 -12.453 7.531 -1.880 1.00 0.00 O ATOM 370 CB THR A 30 -12.052 9.876 0.587 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.193 8.692 1.380 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.688 11.060 1.301 1.00 0.00 C ATOM 0 H THR A 30 -14.365 8.832 0.122 1.00 0.00 H new ATOM 0 HA THR A 30 -12.616 10.609 -1.356 1.00 0.00 H new ATOM 0 HB THR A 30 -10.991 10.085 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.132 8.412 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.227 11.184 2.281 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.537 11.964 0.712 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.756 10.881 1.422 1.00 0.00 H new ATOM 380 N ALA A 31 -10.641 8.872 -1.819 1.00 0.00 N ATOM 381 CA ALA A 31 -9.783 7.940 -2.525 1.00 0.00 C ATOM 382 C ALA A 31 -8.673 7.448 -1.610 1.00 0.00 C ATOM 383 O ALA A 31 -8.010 8.241 -0.938 1.00 0.00 O ATOM 384 CB ALA A 31 -9.195 8.586 -3.774 1.00 0.00 C ATOM 0 H ALA A 31 -10.184 9.745 -1.554 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.386 7.086 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.555 7.869 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.002 8.893 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.607 9.459 -3.490 1.00 0.00 H new ATOM 390 N TYR A 32 -8.491 6.140 -1.574 1.00 0.00 N ATOM 391 CA TYR A 32 -7.464 5.530 -0.751 1.00 0.00 C ATOM 392 C TYR A 32 -6.357 4.980 -1.639 1.00 0.00 C ATOM 393 O TYR A 32 -6.592 4.111 -2.481 1.00 0.00 O ATOM 394 CB TYR A 32 -8.060 4.419 0.120 1.00 0.00 C ATOM 395 CG TYR A 32 -8.914 4.936 1.260 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.240 5.298 1.055 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.394 5.061 2.542 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.020 5.768 2.094 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.169 5.530 3.586 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.479 5.883 3.357 1.00 0.00 C ATOM 401 OH TYR A 32 -11.256 6.350 4.394 1.00 0.00 O ATOM 0 H TYR A 32 -9.047 5.475 -2.111 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.044 6.287 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.663 3.762 -0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.250 3.815 0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.668 5.210 0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.366 4.787 2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.049 6.044 1.918 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.748 5.619 4.577 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.725 6.369 5.218 1.00 0.00 H new ATOM 411 N ASP A 33 -5.158 5.503 -1.456 1.00 0.00 N ATOM 412 CA ASP A 33 -4.010 5.083 -2.241 1.00 0.00 C ATOM 413 C ASP A 33 -3.328 3.909 -1.565 1.00 0.00 C ATOM 414 O ASP A 33 -2.826 4.028 -0.444 1.00 0.00 O ATOM 415 CB ASP A 33 -3.028 6.244 -2.412 1.00 0.00 C ATOM 416 CG ASP A 33 -2.378 6.251 -3.779 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.060 6.613 -4.764 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.181 5.916 -3.874 1.00 0.00 O ATOM 0 H ASP A 33 -4.953 6.225 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.350 4.774 -3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.553 7.187 -2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.256 6.180 -1.645 1.00 0.00 H new ATOM 423 N VAL A 34 -3.339 2.766 -2.231 1.00 0.00 N ATOM 424 CA VAL A 34 -2.733 1.565 -1.680 1.00 0.00 C ATOM 425 C VAL A 34 -1.689 0.994 -2.632 1.00 0.00 C ATOM 426 O VAL A 34 -1.950 0.829 -3.827 1.00 0.00 O ATOM 427 CB VAL A 34 -3.793 0.477 -1.390 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.201 -0.650 -0.552 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.013 1.075 -0.701 1.00 0.00 C ATOM 0 H VAL A 34 -3.760 2.644 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.255 1.854 -0.744 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.113 0.059 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.966 -1.402 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.370 -1.106 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.843 -0.249 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.743 0.289 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.711 1.530 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.458 1.834 -1.344 1.00 0.00 H new ATOM 439 N GLY A 35 -0.506 0.719 -2.106 1.00 0.00 N ATOM 440 CA GLY A 35 0.550 0.145 -2.911 1.00 0.00 C ATOM 441 C GLY A 35 1.511 -0.662 -2.066 1.00 0.00 C ATOM 442 O GLY A 35 1.311 -0.791 -0.856 1.00 0.00 O ATOM 0 H GLY A 35 -0.258 0.884 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.117 -0.493 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.092 0.940 -3.423 1.00 0.00 H new ATOM 446 N GLN A 36 2.538 -1.219 -2.688 1.00 0.00 N ATOM 447 CA GLN A 36 3.520 -1.989 -1.952 1.00 0.00 C ATOM 448 C GLN A 36 4.599 -1.033 -1.462 1.00 0.00 C ATOM 449 O GLN A 36 5.122 -0.228 -2.233 1.00 0.00 O ATOM 450 CB GLN A 36 4.112 -3.119 -2.812 1.00 0.00 C ATOM 451 CG GLN A 36 5.316 -2.710 -3.648 1.00 0.00 C ATOM 452 CD GLN A 36 5.932 -3.871 -4.394 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.598 -4.123 -5.547 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.833 -4.588 -3.740 1.00 0.00 N ATOM 0 H GLN A 36 2.710 -1.152 -3.691 1.00 0.00 H new ATOM 0 HA GLN A 36 3.045 -2.475 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.402 -3.942 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.336 -3.498 -3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.013 -1.944 -4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.068 -2.261 -2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.082 -4.343 -2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.278 -5.385 -4.195 1.00 0.00 H new ATOM 463 N CYS A 37 4.898 -1.077 -0.181 1.00 0.00 N ATOM 464 CA CYS A 37 5.890 -0.182 0.376 1.00 0.00 C ATOM 465 C CYS A 37 6.864 -0.930 1.266 1.00 0.00 C ATOM 466 O CYS A 37 6.635 -2.086 1.617 1.00 0.00 O ATOM 467 CB CYS A 37 5.187 0.922 1.167 1.00 0.00 C ATOM 468 SG CYS A 37 3.435 1.143 0.710 1.00 0.00 S ATOM 0 H CYS A 37 4.473 -1.717 0.490 1.00 0.00 H new ATOM 0 HA CYS A 37 6.461 0.260 -0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.250 0.692 2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.716 1.862 1.012 1.00 0.00 H new ATOM 473 N ALA A 38 7.956 -0.269 1.600 1.00 0.00 N ATOM 474 CA ALA A 38 8.978 -0.840 2.454 1.00 0.00 C ATOM 475 C ALA A 38 9.818 0.274 3.049 1.00 0.00 C ATOM 476 O ALA A 38 9.599 1.452 2.743 1.00 0.00 O ATOM 477 CB ALA A 38 9.856 -1.810 1.674 1.00 0.00 C ATOM 0 H ALA A 38 8.159 0.680 1.286 1.00 0.00 H new ATOM 0 HA ALA A 38 8.496 -1.397 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.616 -2.226 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.241 -2.617 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.340 -1.282 0.852 1.00 0.00 H new ATOM 483 N TRP A 39 10.771 -0.090 3.892 1.00 0.00 N ATOM 484 CA TRP A 39 11.639 0.891 4.526 1.00 0.00 C ATOM 485 C TRP A 39 12.619 1.462 3.515 1.00 0.00 C ATOM 486 O TRP A 39 13.628 0.830 3.189 1.00 0.00 O ATOM 487 CB TRP A 39 12.408 0.266 5.689 1.00 0.00 C ATOM 488 CG TRP A 39 11.957 0.754 7.030 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.673 0.845 7.479 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.791 1.213 8.101 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.656 1.338 8.759 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.941 1.569 9.167 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.172 1.360 8.265 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.427 2.059 10.374 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.652 1.847 9.466 1.00 0.00 C ATOM 496 CH2 TRP A 39 13.781 2.190 10.507 1.00 0.00 C ATOM 0 H TRP A 39 10.964 -1.057 4.153 1.00 0.00 H new ATOM 0 HA TRP A 39 11.012 1.695 4.912 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.296 -0.817 5.648 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.470 0.481 5.570 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.797 0.569 6.910 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.819 1.506 9.317 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.851 1.098 7.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.758 2.327 11.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.717 1.965 9.604 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.187 2.566 11.434 1.00 0.00 H new ATOM 507 N VAL A 40 12.318 2.650 3.014 1.00 0.00 N ATOM 508 CA VAL A 40 13.180 3.301 2.041 1.00 0.00 C ATOM 509 C VAL A 40 14.306 4.035 2.761 1.00 0.00 C ATOM 510 O VAL A 40 15.370 4.290 2.191 1.00 0.00 O ATOM 511 CB VAL A 40 12.382 4.272 1.131 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.063 5.582 1.842 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.138 4.533 -0.163 1.00 0.00 C ATOM 0 H VAL A 40 11.485 3.182 3.265 1.00 0.00 H new ATOM 0 HA VAL A 40 13.609 2.534 1.396 1.00 0.00 H new ATOM 0 HB VAL A 40 11.433 3.792 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.504 6.234 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.465 5.378 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.991 6.073 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.563 5.216 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.107 4.978 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.286 3.593 -0.694 1.00 0.00 H new ATOM 523 N ASP A 41 14.063 4.346 4.029 1.00 0.00 N ATOM 524 CA ASP A 41 15.036 5.027 4.864 1.00 0.00 C ATOM 525 C ASP A 41 14.680 4.822 6.332 1.00 0.00 C ATOM 526 O ASP A 41 13.716 4.124 6.642 1.00 0.00 O ATOM 527 CB ASP A 41 15.103 6.519 4.540 1.00 0.00 C ATOM 528 CG ASP A 41 16.470 7.099 4.838 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.354 7.027 3.960 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.670 7.609 5.958 1.00 0.00 O ATOM 0 H ASP A 41 13.186 4.132 4.504 1.00 0.00 H new ATOM 0 HA ASP A 41 16.019 4.601 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.864 6.673 3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.348 7.051 5.119 1.00 0.00 H new ATOM 535 N THR A 42 15.440 5.438 7.223 1.00 0.00 N ATOM 536 CA THR A 42 15.215 5.302 8.655 1.00 0.00 C ATOM 537 C THR A 42 13.927 5.998 9.098 1.00 0.00 C ATOM 538 O THR A 42 13.869 7.223 9.206 1.00 0.00 O ATOM 539 CB THR A 42 16.409 5.865 9.449 1.00 0.00 C ATOM 540 OG1 THR A 42 17.637 5.371 8.890 1.00 0.00 O ATOM 541 CG2 THR A 42 16.321 5.470 10.915 1.00 0.00 C ATOM 0 H THR A 42 16.225 6.042 6.978 1.00 0.00 H new ATOM 0 HA THR A 42 15.113 4.237 8.863 1.00 0.00 H new ATOM 0 HB THR A 42 16.385 6.953 9.382 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.395 5.732 9.396 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.175 5.880 11.454 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.399 5.864 11.343 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.325 4.383 11.000 1.00 0.00 H new ATOM 549 N GLY A 43 12.892 5.198 9.329 1.00 0.00 N ATOM 550 CA GLY A 43 11.612 5.727 9.763 1.00 0.00 C ATOM 551 C GLY A 43 10.769 6.234 8.611 1.00 0.00 C ATOM 552 O GLY A 43 9.626 6.641 8.801 1.00 0.00 O ATOM 0 H GLY A 43 12.918 4.184 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.063 4.950 10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.780 6.539 10.470 1.00 0.00 H new ATOM 556 N VAL A 44 11.333 6.203 7.412 1.00 0.00 N ATOM 557 CA VAL A 44 10.637 6.668 6.223 1.00 0.00 C ATOM 558 C VAL A 44 10.345 5.502 5.289 1.00 0.00 C ATOM 559 O VAL A 44 11.243 4.739 4.925 1.00 0.00 O ATOM 560 CB VAL A 44 11.454 7.737 5.461 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.633 8.361 4.343 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.958 8.811 6.416 1.00 0.00 C ATOM 0 H VAL A 44 12.277 5.858 7.238 1.00 0.00 H new ATOM 0 HA VAL A 44 9.702 7.120 6.554 1.00 0.00 H new ATOM 0 HB VAL A 44 12.315 7.242 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.233 9.109 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.330 7.587 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.746 8.835 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.530 9.553 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.110 9.295 6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.595 8.354 7.173 1.00 0.00 H new ATOM 572 N LEU A 45 9.086 5.358 4.922 1.00 0.00 N ATOM 573 CA LEU A 45 8.673 4.293 4.031 1.00 0.00 C ATOM 574 C LEU A 45 8.218 4.885 2.704 1.00 0.00 C ATOM 575 O LEU A 45 7.905 6.071 2.630 1.00 0.00 O ATOM 576 CB LEU A 45 7.545 3.467 4.657 1.00 0.00 C ATOM 577 CG LEU A 45 7.853 2.870 6.035 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.220 3.706 7.138 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.365 1.433 6.112 1.00 0.00 C ATOM 0 H LEU A 45 8.329 5.969 5.229 1.00 0.00 H new ATOM 0 HA LEU A 45 9.522 3.631 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.660 4.098 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.292 2.654 3.976 1.00 0.00 H new ATOM 0 HG LEU A 45 8.934 2.878 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.451 3.264 8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.616 4.721 7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.139 3.732 7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.591 1.024 7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.288 1.405 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.865 0.838 5.348 1.00 0.00 H new ATOM 591 N ALA A 46 8.200 4.069 1.666 1.00 0.00 N ATOM 592 CA ALA A 46 7.785 4.526 0.350 1.00 0.00 C ATOM 593 C ALA A 46 7.135 3.394 -0.430 1.00 0.00 C ATOM 594 O ALA A 46 7.575 2.246 -0.341 1.00 0.00 O ATOM 595 CB ALA A 46 8.979 5.077 -0.412 1.00 0.00 C ATOM 0 H ALA A 46 8.468 3.086 1.708 1.00 0.00 H new ATOM 0 HA ALA A 46 7.050 5.321 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.657 5.417 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.407 5.915 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.730 4.296 -0.526 1.00 0.00 H new ATOM 601 N CYS A 47 6.083 3.716 -1.176 1.00 0.00 N ATOM 602 CA CYS A 47 5.367 2.716 -1.965 1.00 0.00 C ATOM 603 C CYS A 47 5.715 2.834 -3.441 1.00 0.00 C ATOM 604 O CYS A 47 6.308 3.819 -3.866 1.00 0.00 O ATOM 605 CB CYS A 47 3.853 2.858 -1.782 1.00 0.00 C ATOM 606 SG CYS A 47 3.316 3.023 -0.048 1.00 0.00 S ATOM 0 H CYS A 47 5.706 4.661 -1.252 1.00 0.00 H new ATOM 0 HA CYS A 47 5.677 1.734 -1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.512 3.730 -2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.363 1.988 -2.220 1.00 0.00 H new ATOM 611 N ASN A 48 5.344 1.828 -4.221 1.00 0.00 N ATOM 612 CA ASN A 48 5.623 1.826 -5.650 1.00 0.00 C ATOM 613 C ASN A 48 4.645 2.726 -6.403 1.00 0.00 C ATOM 614 O ASN A 48 3.441 2.698 -6.153 1.00 0.00 O ATOM 615 CB ASN A 48 5.597 0.400 -6.211 1.00 0.00 C ATOM 616 CG ASN A 48 4.246 -0.296 -6.095 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.479 -0.066 -5.159 1.00 0.00 O ATOM 618 ND2 ASN A 48 3.955 -1.174 -7.041 1.00 0.00 N ATOM 0 H ASN A 48 4.848 1.001 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 48 6.626 2.228 -5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.888 0.430 -7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.346 -0.197 -5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.073 -1.685 -7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.613 -1.340 -7.802 1.00 0.00 H new ATOM 625 N PRO A 49 5.157 3.562 -7.322 1.00 0.00 N ATOM 626 CA PRO A 49 4.348 4.490 -8.105 1.00 0.00 C ATOM 627 C PRO A 49 3.935 3.947 -9.471 1.00 0.00 C ATOM 628 O PRO A 49 3.583 4.714 -10.368 1.00 0.00 O ATOM 629 CB PRO A 49 5.310 5.657 -8.284 1.00 0.00 C ATOM 630 CG PRO A 49 6.660 5.017 -8.395 1.00 0.00 C ATOM 631 CD PRO A 49 6.587 3.703 -7.653 1.00 0.00 C ATOM 0 HA PRO A 49 3.403 4.723 -7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.070 6.235 -9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.264 6.343 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.926 4.856 -9.440 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.428 5.660 -7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.938 2.876 -8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.205 3.716 -6.756 1.00 0.00 H new ATOM 639 N ALA A 50 3.977 2.635 -9.634 1.00 0.00 N ATOM 640 CA ALA A 50 3.603 2.031 -10.908 1.00 0.00 C ATOM 641 C ALA A 50 2.500 0.995 -10.737 1.00 0.00 C ATOM 642 O ALA A 50 1.365 1.206 -11.167 1.00 0.00 O ATOM 643 CB ALA A 50 4.822 1.421 -11.585 1.00 0.00 C ATOM 0 H ALA A 50 4.262 1.973 -8.912 1.00 0.00 H new ATOM 0 HA ALA A 50 3.209 2.820 -11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.526 0.975 -12.534 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.565 2.198 -11.766 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.250 0.653 -10.941 1.00 0.00 H new ATOM 649 N ASP A 51 2.820 -0.112 -10.084 1.00 0.00 N ATOM 650 CA ASP A 51 1.850 -1.184 -9.873 1.00 0.00 C ATOM 651 C ASP A 51 0.963 -0.904 -8.663 1.00 0.00 C ATOM 652 O ASP A 51 0.642 -1.810 -7.892 1.00 0.00 O ATOM 653 CB ASP A 51 2.559 -2.530 -9.690 1.00 0.00 C ATOM 654 CG ASP A 51 3.163 -3.055 -10.973 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.400 -3.415 -11.895 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.403 -3.131 -11.062 1.00 0.00 O ATOM 0 H ASP A 51 3.743 -0.295 -9.690 1.00 0.00 H new ATOM 0 HA ASP A 51 1.219 -1.229 -10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.344 -2.423 -8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.848 -3.260 -9.303 1.00 0.00 H new ATOM 661 N PHE A 52 0.566 0.349 -8.505 1.00 0.00 N ATOM 662 CA PHE A 52 -0.294 0.746 -7.403 1.00 0.00 C ATOM 663 C PHE A 52 -1.694 1.023 -7.927 1.00 0.00 C ATOM 664 O PHE A 52 -1.883 1.235 -9.127 1.00 0.00 O ATOM 665 CB PHE A 52 0.271 1.982 -6.683 1.00 0.00 C ATOM 666 CG PHE A 52 -0.077 3.291 -7.336 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.589 3.719 -8.474 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.076 4.093 -6.809 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.265 4.920 -9.073 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.404 5.294 -7.403 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.733 5.709 -8.536 1.00 0.00 C ATOM 0 H PHE A 52 0.828 1.111 -9.130 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.338 -0.067 -6.679 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.099 1.991 -5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.356 1.893 -6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.371 3.106 -8.897 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.604 3.774 -5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.791 5.242 -9.960 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.185 5.909 -6.982 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.988 6.649 -9.002 1.00 0.00 H new ATOM 681 N SER A 53 -2.672 1.018 -7.043 1.00 0.00 N ATOM 682 CA SER A 53 -4.045 1.267 -7.437 1.00 0.00 C ATOM 683 C SER A 53 -4.752 2.144 -6.411 1.00 0.00 C ATOM 684 O SER A 53 -4.714 1.871 -5.211 1.00 0.00 O ATOM 685 CB SER A 53 -4.786 -0.059 -7.615 1.00 0.00 C ATOM 686 OG SER A 53 -4.105 -0.896 -8.535 1.00 0.00 O ATOM 0 H SER A 53 -2.542 0.844 -6.046 1.00 0.00 H new ATOM 0 HA SER A 53 -4.043 1.799 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.874 -0.564 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.799 0.130 -7.969 1.00 0.00 H new ATOM 0 HG SER A 53 -4.594 -1.740 -8.634 1.00 0.00 H new ATOM 692 N SER A 54 -5.375 3.208 -6.888 1.00 0.00 N ATOM 693 CA SER A 54 -6.100 4.118 -6.024 1.00 0.00 C ATOM 694 C SER A 54 -7.571 3.722 -5.991 1.00 0.00 C ATOM 695 O SER A 54 -8.305 3.941 -6.957 1.00 0.00 O ATOM 696 CB SER A 54 -5.943 5.554 -6.524 1.00 0.00 C ATOM 697 OG SER A 54 -4.584 5.840 -6.812 1.00 0.00 O ATOM 0 H SER A 54 -5.392 3.462 -7.876 1.00 0.00 H new ATOM 0 HA SER A 54 -5.694 4.060 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.548 5.701 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.314 6.249 -5.771 1.00 0.00 H new ATOM 0 HG SER A 54 -4.175 6.292 -6.044 1.00 0.00 H new ATOM 703 N VAL A 55 -7.990 3.109 -4.896 1.00 0.00 N ATOM 704 CA VAL A 55 -9.368 2.672 -4.750 1.00 0.00 C ATOM 705 C VAL A 55 -10.200 3.737 -4.045 1.00 0.00 C ATOM 706 O VAL A 55 -9.758 4.351 -3.079 1.00 0.00 O ATOM 707 CB VAL A 55 -9.454 1.328 -3.983 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.980 1.473 -2.540 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.865 0.757 -4.034 1.00 0.00 C ATOM 0 H VAL A 55 -7.394 2.903 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.773 2.518 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.785 0.627 -4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.055 0.510 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.943 1.809 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.603 2.204 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.896 -0.186 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.560 1.463 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.151 0.585 -5.072 1.00 0.00 H new ATOM 719 N THR A 56 -11.390 3.983 -4.552 1.00 0.00 N ATOM 720 CA THR A 56 -12.268 4.963 -3.951 1.00 0.00 C ATOM 721 C THR A 56 -13.353 4.260 -3.142 1.00 0.00 C ATOM 722 O THR A 56 -13.846 3.195 -3.533 1.00 0.00 O ATOM 723 CB THR A 56 -12.893 5.898 -5.017 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.415 7.081 -4.399 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.003 5.206 -5.794 1.00 0.00 C ATOM 0 H THR A 56 -11.770 3.519 -5.377 1.00 0.00 H new ATOM 0 HA THR A 56 -11.675 5.587 -3.282 1.00 0.00 H new ATOM 0 HB THR A 56 -12.100 6.165 -5.716 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.019 7.187 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.415 5.895 -6.531 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.600 4.330 -6.302 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.790 4.897 -5.106 1.00 0.00 H new ATOM 733 N ALA A 57 -13.690 4.834 -1.995 1.00 0.00 N ATOM 734 CA ALA A 57 -14.713 4.264 -1.135 1.00 0.00 C ATOM 735 C ALA A 57 -16.080 4.426 -1.777 1.00 0.00 C ATOM 736 O ALA A 57 -16.460 5.532 -2.177 1.00 0.00 O ATOM 737 CB ALA A 57 -14.681 4.908 0.244 1.00 0.00 C ATOM 0 H ALA A 57 -13.269 5.693 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.511 3.200 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.456 4.465 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.706 4.741 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.859 5.979 0.150 1.00 0.00 H new ATOM 743 N ASP A 58 -16.806 3.325 -1.883 1.00 0.00 N ATOM 744 CA ASP A 58 -18.123 3.332 -2.501 1.00 0.00 C ATOM 745 C ASP A 58 -19.190 3.857 -1.542 1.00 0.00 C ATOM 746 O ASP A 58 -18.897 4.178 -0.388 1.00 0.00 O ATOM 747 CB ASP A 58 -18.482 1.927 -3.009 1.00 0.00 C ATOM 748 CG ASP A 58 -19.228 1.088 -1.990 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.608 0.648 -1.001 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.440 0.861 -2.182 1.00 0.00 O ATOM 0 H ASP A 58 -16.504 2.410 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.091 4.011 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.091 2.019 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.567 1.408 -3.296 1.00 0.00 H new ATOM 755 N ALA A 59 -20.428 3.932 -2.027 1.00 0.00 N ATOM 756 CA ALA A 59 -21.548 4.435 -1.239 1.00 0.00 C ATOM 757 C ALA A 59 -21.790 3.603 0.019 1.00 0.00 C ATOM 758 O ALA A 59 -22.269 4.124 1.023 1.00 0.00 O ATOM 759 CB ALA A 59 -22.809 4.481 -2.087 1.00 0.00 C ATOM 0 H ALA A 59 -20.681 3.647 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.290 5.444 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.637 4.858 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.650 5.140 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.045 3.478 -2.442 1.00 0.00 H new ATOM 765 N ASN A 60 -21.463 2.313 -0.032 1.00 0.00 N ATOM 766 CA ASN A 60 -21.648 1.436 1.123 1.00 0.00 C ATOM 767 C ASN A 60 -20.549 1.675 2.152 1.00 0.00 C ATOM 768 O ASN A 60 -20.608 1.169 3.274 1.00 0.00 O ATOM 769 CB ASN A 60 -21.637 -0.038 0.701 1.00 0.00 C ATOM 770 CG ASN A 60 -22.845 -0.428 -0.129 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.882 -0.824 0.409 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.722 -0.321 -1.442 1.00 0.00 N ATOM 0 H ASN A 60 -21.071 1.854 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.617 1.668 1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.731 -0.239 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.598 -0.665 1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.503 -0.570 -2.049 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.847 0.011 -1.847 1.00 0.00 H new ATOM 779 N GLY A 61 -19.544 2.454 1.763 1.00 0.00 N ATOM 780 CA GLY A 61 -18.439 2.750 2.650 1.00 0.00 C ATOM 781 C GLY A 61 -17.386 1.666 2.619 1.00 0.00 C ATOM 782 O GLY A 61 -16.649 1.479 3.583 1.00 0.00 O ATOM 0 H GLY A 61 -19.478 2.887 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.989 3.701 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.811 2.866 3.668 1.00 0.00 H new ATOM 786 N SER A 62 -17.317 0.950 1.507 1.00 0.00 N ATOM 787 CA SER A 62 -16.355 -0.126 1.351 1.00 0.00 C ATOM 788 C SER A 62 -15.423 0.146 0.176 1.00 0.00 C ATOM 789 O SER A 62 -15.705 1.001 -0.667 1.00 0.00 O ATOM 790 CB SER A 62 -17.092 -1.454 1.159 1.00 0.00 C ATOM 791 OG SER A 62 -18.445 -1.234 0.786 1.00 0.00 O ATOM 0 H SER A 62 -17.919 1.097 0.697 1.00 0.00 H new ATOM 0 HA SER A 62 -15.746 -0.186 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.591 -2.045 0.392 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.055 -2.032 2.082 1.00 0.00 H new ATOM 0 HG SER A 62 -18.476 -0.667 -0.013 1.00 0.00 H new ATOM 797 N ALA A 63 -14.313 -0.577 0.132 1.00 0.00 N ATOM 798 CA ALA A 63 -13.337 -0.420 -0.934 1.00 0.00 C ATOM 799 C ALA A 63 -12.483 -1.674 -1.059 1.00 0.00 C ATOM 800 O ALA A 63 -11.877 -2.114 -0.084 1.00 0.00 O ATOM 801 CB ALA A 63 -12.457 0.793 -0.668 1.00 0.00 C ATOM 0 H ALA A 63 -14.066 -1.282 0.827 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.869 -0.267 -1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.731 0.899 -1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.077 1.688 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.933 0.661 0.278 1.00 0.00 H new ATOM 807 N SER A 64 -12.448 -2.256 -2.246 1.00 0.00 N ATOM 808 CA SER A 64 -11.660 -3.457 -2.474 1.00 0.00 C ATOM 809 C SER A 64 -10.717 -3.261 -3.655 1.00 0.00 C ATOM 810 O SER A 64 -11.133 -2.833 -4.729 1.00 0.00 O ATOM 811 CB SER A 64 -12.590 -4.647 -2.716 1.00 0.00 C ATOM 812 OG SER A 64 -13.541 -4.762 -1.669 1.00 0.00 O ATOM 0 H SER A 64 -12.954 -1.918 -3.065 1.00 0.00 H new ATOM 0 HA SER A 64 -11.055 -3.658 -1.590 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.104 -4.525 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.005 -5.564 -2.785 1.00 0.00 H new ATOM 0 HG SER A 64 -14.128 -5.528 -1.843 1.00 0.00 H new ATOM 818 N THR A 65 -9.444 -3.559 -3.449 1.00 0.00 N ATOM 819 CA THR A 65 -8.451 -3.402 -4.497 1.00 0.00 C ATOM 820 C THR A 65 -7.437 -4.542 -4.459 1.00 0.00 C ATOM 821 O THR A 65 -7.363 -5.287 -3.477 1.00 0.00 O ATOM 822 CB THR A 65 -7.731 -2.037 -4.372 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.915 -1.789 -5.524 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.876 -1.978 -3.113 1.00 0.00 C ATOM 0 H THR A 65 -9.075 -3.911 -2.565 1.00 0.00 H new ATOM 0 HA THR A 65 -8.968 -3.433 -5.456 1.00 0.00 H new ATOM 0 HB THR A 65 -8.498 -1.265 -4.305 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.861 -0.824 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.383 -1.008 -3.053 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.509 -2.118 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.123 -2.766 -3.147 1.00 0.00 H new ATOM 832 N SER A 66 -6.665 -4.672 -5.529 1.00 0.00 N ATOM 833 CA SER A 66 -5.664 -5.718 -5.639 1.00 0.00 C ATOM 834 C SER A 66 -4.347 -5.134 -6.148 1.00 0.00 C ATOM 835 O SER A 66 -4.288 -4.575 -7.245 1.00 0.00 O ATOM 836 CB SER A 66 -6.161 -6.811 -6.583 1.00 0.00 C ATOM 837 OG SER A 66 -7.492 -7.181 -6.273 1.00 0.00 O ATOM 0 H SER A 66 -6.716 -4.057 -6.341 1.00 0.00 H new ATOM 0 HA SER A 66 -5.492 -6.153 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.108 -6.459 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.511 -7.683 -6.510 1.00 0.00 H new ATOM 0 HG SER A 66 -7.789 -7.881 -6.891 1.00 0.00 H new ATOM 843 N LEU A 67 -3.289 -5.276 -5.359 1.00 0.00 N ATOM 844 CA LEU A 67 -1.986 -4.726 -5.727 1.00 0.00 C ATOM 845 C LEU A 67 -1.033 -5.818 -6.201 1.00 0.00 C ATOM 846 O LEU A 67 -1.095 -6.956 -5.732 1.00 0.00 O ATOM 847 CB LEU A 67 -1.350 -3.982 -4.540 1.00 0.00 C ATOM 848 CG LEU A 67 -2.164 -2.819 -3.950 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.844 -2.022 -5.052 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.189 -3.337 -2.950 1.00 0.00 C ATOM 0 H LEU A 67 -3.305 -5.765 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.155 -4.026 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.160 -4.704 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.382 -3.595 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.478 -2.154 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.414 -1.204 -4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.090 -1.616 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.516 -2.673 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.756 -2.500 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.869 -4.026 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.677 -3.856 -2.140 1.00 0.00 H new ATOM 862 N THR A 68 -0.157 -5.464 -7.134 1.00 0.00 N ATOM 863 CA THR A 68 0.828 -6.397 -7.660 1.00 0.00 C ATOM 864 C THR A 68 2.157 -6.204 -6.935 1.00 0.00 C ATOM 865 O THR A 68 2.855 -5.218 -7.161 1.00 0.00 O ATOM 866 CB THR A 68 1.037 -6.196 -9.172 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.204 -5.828 -9.786 1.00 0.00 O ATOM 868 CG2 THR A 68 1.571 -7.464 -9.822 1.00 0.00 C ATOM 0 H THR A 68 -0.110 -4.531 -7.543 1.00 0.00 H new ATOM 0 HA THR A 68 0.457 -7.409 -7.496 1.00 0.00 H new ATOM 0 HB THR A 68 1.769 -5.401 -9.314 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.068 -5.699 -10.748 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.710 -7.295 -10.890 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.526 -7.730 -9.370 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.860 -8.277 -9.673 1.00 0.00 H new ATOM 876 N VAL A 69 2.490 -7.138 -6.052 1.00 0.00 N ATOM 877 CA VAL A 69 3.726 -7.041 -5.292 1.00 0.00 C ATOM 878 C VAL A 69 4.926 -7.551 -6.092 1.00 0.00 C ATOM 879 O VAL A 69 4.976 -8.710 -6.515 1.00 0.00 O ATOM 880 CB VAL A 69 3.624 -7.776 -3.932 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.365 -9.268 -4.110 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.878 -7.541 -3.106 1.00 0.00 C ATOM 0 H VAL A 69 1.926 -7.963 -5.847 1.00 0.00 H new ATOM 0 HA VAL A 69 3.885 -5.982 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 69 2.769 -7.362 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.300 -9.745 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.428 -9.413 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.181 -9.714 -4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.790 -8.064 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.746 -7.917 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.999 -6.473 -2.923 1.00 0.00 H new ATOM 892 N ARG A 70 5.873 -6.658 -6.321 1.00 0.00 N ATOM 893 CA ARG A 70 7.092 -6.986 -7.046 1.00 0.00 C ATOM 894 C ARG A 70 8.227 -7.211 -6.054 1.00 0.00 C ATOM 895 O ARG A 70 8.099 -6.875 -4.875 1.00 0.00 O ATOM 896 CB ARG A 70 7.472 -5.848 -7.999 1.00 0.00 C ATOM 897 CG ARG A 70 6.332 -5.358 -8.875 1.00 0.00 C ATOM 898 CD ARG A 70 6.066 -6.300 -10.035 1.00 0.00 C ATOM 899 NE ARG A 70 5.058 -5.758 -10.946 1.00 0.00 N ATOM 900 CZ ARG A 70 4.469 -6.452 -11.917 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.801 -7.716 -12.140 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.548 -5.870 -12.674 1.00 0.00 N ATOM 0 H ARG A 70 5.821 -5.688 -6.011 1.00 0.00 H new ATOM 0 HA ARG A 70 6.921 -7.892 -7.628 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.850 -5.010 -7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.288 -6.183 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.429 -5.258 -8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.570 -4.366 -9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.993 -6.478 -10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.731 -7.264 -9.653 1.00 0.00 H new ATOM 0 HE ARG A 70 4.788 -4.781 -10.829 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.514 -8.165 -11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.344 -8.239 -12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.295 -4.896 -12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.093 -6.397 -13.420 1.00 0.00 H new ATOM 916 N ARG A 71 9.333 -7.766 -6.528 1.00 0.00 N ATOM 917 CA ARG A 71 10.485 -8.012 -5.672 1.00 0.00 C ATOM 918 C ARG A 71 11.233 -6.706 -5.431 1.00 0.00 C ATOM 919 O ARG A 71 11.634 -6.397 -4.308 1.00 0.00 O ATOM 920 CB ARG A 71 11.418 -9.039 -6.313 1.00 0.00 C ATOM 921 CG ARG A 71 12.168 -9.886 -5.303 1.00 0.00 C ATOM 922 CD ARG A 71 11.422 -11.174 -4.991 1.00 0.00 C ATOM 923 NE ARG A 71 11.523 -12.139 -6.088 1.00 0.00 N ATOM 924 CZ ARG A 71 12.074 -13.349 -5.978 1.00 0.00 C ATOM 925 NH1 ARG A 71 12.551 -13.771 -4.811 1.00 0.00 N ATOM 926 NH2 ARG A 71 12.139 -14.143 -7.041 1.00 0.00 N ATOM 0 H ARG A 71 9.457 -8.054 -7.499 1.00 0.00 H new ATOM 0 HA ARG A 71 10.137 -8.409 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.835 -9.692 -6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.138 -8.520 -6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.159 -10.123 -5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.312 -9.317 -4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.825 -11.616 -4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.373 -10.949 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 71 11.147 -11.868 -6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.497 -13.168 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.971 -14.698 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.768 -13.827 -7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.560 -15.069 -6.961 1.00 0.00 H new ATOM 940 N SER A 72 11.414 -5.951 -6.501 1.00 0.00 N ATOM 941 CA SER A 72 12.085 -4.661 -6.444 1.00 0.00 C ATOM 942 C SER A 72 11.156 -3.605 -7.038 1.00 0.00 C ATOM 943 O SER A 72 10.541 -3.838 -8.084 1.00 0.00 O ATOM 944 CB SER A 72 13.408 -4.708 -7.217 1.00 0.00 C ATOM 945 OG SER A 72 14.054 -5.966 -7.060 1.00 0.00 O ATOM 0 H SER A 72 11.100 -6.214 -7.435 1.00 0.00 H new ATOM 0 HA SER A 72 12.314 -4.411 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.220 -4.523 -8.275 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.065 -3.913 -6.866 1.00 0.00 H new ATOM 0 HG SER A 72 14.693 -5.915 -6.319 1.00 0.00 H new ATOM 951 N PHE A 73 11.033 -2.464 -6.377 1.00 0.00 N ATOM 952 CA PHE A 73 10.141 -1.412 -6.848 1.00 0.00 C ATOM 953 C PHE A 73 10.717 -0.026 -6.589 1.00 0.00 C ATOM 954 O PHE A 73 11.773 0.117 -5.973 1.00 0.00 O ATOM 955 CB PHE A 73 8.778 -1.539 -6.160 1.00 0.00 C ATOM 956 CG PHE A 73 8.830 -1.403 -4.659 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.276 -2.449 -3.866 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.427 -0.227 -4.045 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.315 -2.328 -2.492 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.464 -0.101 -2.670 1.00 0.00 C ATOM 961 CZ PHE A 73 8.909 -1.153 -1.892 1.00 0.00 C ATOM 0 H PHE A 73 11.536 -2.242 -5.518 1.00 0.00 H new ATOM 0 HA PHE A 73 10.026 -1.532 -7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.109 -0.777 -6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.345 -2.507 -6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.597 -3.370 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.081 0.599 -4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.663 -3.152 -1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.145 0.819 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.939 -1.056 -0.817 1.00 0.00 H new ATOM 971 N GLU A 74 10.018 0.989 -7.067 1.00 0.00 N ATOM 972 CA GLU A 74 10.438 2.368 -6.888 1.00 0.00 C ATOM 973 C GLU A 74 9.792 2.948 -5.636 1.00 0.00 C ATOM 974 O GLU A 74 8.595 2.781 -5.420 1.00 0.00 O ATOM 975 CB GLU A 74 10.048 3.207 -8.109 1.00 0.00 C ATOM 976 CG GLU A 74 10.122 2.451 -9.429 1.00 0.00 C ATOM 977 CD GLU A 74 8.790 1.850 -9.843 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.374 0.833 -9.243 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.160 2.384 -10.776 1.00 0.00 O ATOM 0 H GLU A 74 9.148 0.881 -7.588 1.00 0.00 H new ATOM 0 HA GLU A 74 11.522 2.391 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.033 3.580 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.702 4.077 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.468 3.128 -10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.863 1.656 -9.345 1.00 0.00 H new ATOM 986 N GLY A 75 10.585 3.611 -4.810 1.00 0.00 N ATOM 987 CA GLY A 75 10.065 4.212 -3.597 1.00 0.00 C ATOM 988 C GLY A 75 9.512 5.600 -3.844 1.00 0.00 C ATOM 989 O GLY A 75 10.253 6.517 -4.209 1.00 0.00 O ATOM 0 H GLY A 75 11.585 3.745 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.280 3.577 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.857 4.265 -2.850 1.00 0.00 H new ATOM 993 N PHE A 76 8.214 5.755 -3.634 1.00 0.00 N ATOM 994 CA PHE A 76 7.546 7.025 -3.849 1.00 0.00 C ATOM 995 C PHE A 76 6.835 7.463 -2.580 1.00 0.00 C ATOM 996 O PHE A 76 6.225 6.643 -1.891 1.00 0.00 O ATOM 997 CB PHE A 76 6.529 6.886 -4.983 1.00 0.00 C ATOM 998 CG PHE A 76 6.437 8.083 -5.886 1.00 0.00 C ATOM 999 CD1 PHE A 76 7.472 8.393 -6.750 1.00 0.00 C ATOM 1000 CD2 PHE A 76 5.306 8.884 -5.885 1.00 0.00 C ATOM 1001 CE1 PHE A 76 7.386 9.481 -7.596 1.00 0.00 C ATOM 1002 CE2 PHE A 76 5.213 9.972 -6.732 1.00 0.00 C ATOM 1003 CZ PHE A 76 6.255 10.270 -7.588 1.00 0.00 C ATOM 0 H PHE A 76 7.599 5.008 -3.312 1.00 0.00 H new ATOM 0 HA PHE A 76 8.290 7.775 -4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.789 6.013 -5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.546 6.695 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.358 7.776 -6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.490 8.656 -5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.203 9.714 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.326 10.589 -6.725 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.184 11.120 -8.250 1.00 0.00 H new ATOM 1013 N LEU A 77 6.933 8.747 -2.261 1.00 0.00 N ATOM 1014 CA LEU A 77 6.276 9.292 -1.082 1.00 0.00 C ATOM 1015 C LEU A 77 4.845 9.680 -1.436 1.00 0.00 C ATOM 1016 O LEU A 77 4.473 9.697 -2.612 1.00 0.00 O ATOM 1017 CB LEU A 77 7.038 10.513 -0.546 1.00 0.00 C ATOM 1018 CG LEU A 77 8.504 10.268 -0.178 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.166 11.571 0.241 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.615 9.229 0.930 1.00 0.00 C ATOM 0 H LEU A 77 7.462 9.430 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 77 6.266 8.532 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.997 11.302 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.518 10.885 0.337 1.00 0.00 H new ATOM 0 HG LEU A 77 9.021 9.882 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.208 11.383 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.120 12.284 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.646 11.982 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.665 9.070 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.085 9.582 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.175 8.290 0.594 1.00 0.00 H new ATOM 1032 N PHE A 78 4.048 10.016 -0.431 1.00 0.00 N ATOM 1033 CA PHE A 78 2.660 10.393 -0.668 1.00 0.00 C ATOM 1034 C PHE A 78 2.556 11.857 -1.070 1.00 0.00 C ATOM 1035 O PHE A 78 1.486 12.336 -1.453 1.00 0.00 O ATOM 1036 CB PHE A 78 1.804 10.111 0.567 1.00 0.00 C ATOM 1037 CG PHE A 78 1.091 8.789 0.500 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.784 7.631 0.189 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.271 8.707 0.737 1.00 0.00 C ATOM 1040 CE1 PHE A 78 1.134 6.415 0.117 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.928 7.492 0.663 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.223 6.346 0.354 1.00 0.00 C ATOM 0 H PHE A 78 4.334 10.036 0.548 1.00 0.00 H new ATOM 0 HA PHE A 78 2.282 9.788 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.438 10.131 1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.069 10.908 0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.846 7.680 0.000 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.826 9.601 0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.687 5.519 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.991 7.440 0.847 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.734 5.396 0.298 1.00 0.00 H new ATOM 1052 N ASP A 79 3.670 12.569 -0.970 1.00 0.00 N ATOM 1053 CA ASP A 79 3.713 13.976 -1.345 1.00 0.00 C ATOM 1054 C ASP A 79 4.014 14.117 -2.833 1.00 0.00 C ATOM 1055 O ASP A 79 3.681 15.129 -3.450 1.00 0.00 O ATOM 1056 CB ASP A 79 4.748 14.731 -0.504 1.00 0.00 C ATOM 1057 CG ASP A 79 6.046 14.997 -1.243 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.808 14.038 -1.487 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.320 16.169 -1.582 1.00 0.00 O ATOM 0 H ASP A 79 4.557 12.195 -0.632 1.00 0.00 H new ATOM 0 HA ASP A 79 2.736 14.417 -1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.321 15.681 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.963 14.156 0.397 1.00 0.00 H new ATOM 1064 N GLY A 80 4.649 13.101 -3.406 1.00 0.00 N ATOM 1065 CA GLY A 80 4.962 13.134 -4.823 1.00 0.00 C ATOM 1066 C GLY A 80 6.450 13.062 -5.121 1.00 0.00 C ATOM 1067 O GLY A 80 6.848 12.971 -6.282 1.00 0.00 O ATOM 0 H GLY A 80 4.952 12.258 -2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.461 12.301 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.558 14.050 -5.254 1.00 0.00 H new ATOM 1071 N THR A 81 7.274 13.102 -4.092 1.00 0.00 N ATOM 1072 CA THR A 81 8.718 13.042 -4.283 1.00 0.00 C ATOM 1073 C THR A 81 9.208 11.593 -4.284 1.00 0.00 C ATOM 1074 O THR A 81 8.718 10.761 -3.513 1.00 0.00 O ATOM 1075 CB THR A 81 9.454 13.839 -3.184 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.749 15.056 -2.914 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.880 14.170 -3.601 1.00 0.00 C ATOM 0 H THR A 81 6.975 13.175 -3.119 1.00 0.00 H new ATOM 0 HA THR A 81 8.941 13.490 -5.251 1.00 0.00 H new ATOM 0 HB THR A 81 9.490 13.219 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.228 14.956 -2.090 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.371 14.731 -2.806 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.429 13.246 -3.785 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.863 14.770 -4.511 1.00 0.00 H new ATOM 1085 N ARG A 82 10.156 11.286 -5.164 1.00 0.00 N ATOM 1086 CA ARG A 82 10.711 9.942 -5.246 1.00 0.00 C ATOM 1087 C ARG A 82 11.963 9.852 -4.380 1.00 0.00 C ATOM 1088 O ARG A 82 12.714 10.820 -4.268 1.00 0.00 O ATOM 1089 CB ARG A 82 11.038 9.572 -6.700 1.00 0.00 C ATOM 1090 CG ARG A 82 12.179 10.379 -7.300 1.00 0.00 C ATOM 1091 CD ARG A 82 12.554 9.887 -8.689 1.00 0.00 C ATOM 1092 NE ARG A 82 12.980 8.483 -8.685 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.202 8.069 -8.330 1.00 0.00 C ATOM 1094 NH1 ARG A 82 15.115 8.942 -7.909 1.00 0.00 N ATOM 1095 NH2 ARG A 82 14.509 6.773 -8.373 1.00 0.00 N ATOM 0 H ARG A 82 10.554 11.949 -5.829 1.00 0.00 H new ATOM 0 HA ARG A 82 9.968 9.234 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.291 8.513 -6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.146 9.714 -7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.892 11.429 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.049 10.318 -6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.700 10.004 -9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.357 10.507 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 82 12.301 7.777 -8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.885 9.934 -7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.044 8.618 -7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.812 6.094 -8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.441 6.460 -8.102 1.00 0.00 H new ATOM 1109 N TRP A 83 12.181 8.705 -3.753 1.00 0.00 N ATOM 1110 CA TRP A 83 13.350 8.527 -2.899 1.00 0.00 C ATOM 1111 C TRP A 83 14.411 7.692 -3.605 1.00 0.00 C ATOM 1112 O TRP A 83 15.565 8.105 -3.724 1.00 0.00 O ATOM 1113 CB TRP A 83 12.943 7.870 -1.577 1.00 0.00 C ATOM 1114 CG TRP A 83 13.869 8.179 -0.442 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.099 7.633 -0.218 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.635 9.096 0.632 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.651 8.167 0.918 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.771 9.062 1.461 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.579 9.944 0.973 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.880 9.841 2.608 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.688 10.719 2.113 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.832 10.662 2.918 1.00 0.00 C ATOM 0 H TRP A 83 11.571 7.890 -3.817 1.00 0.00 H new ATOM 0 HA TRP A 83 13.775 9.508 -2.686 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.937 8.197 -1.313 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.901 6.790 -1.716 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.569 6.889 -0.844 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.569 7.934 1.297 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.693 9.994 0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.761 9.799 3.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.878 11.379 2.387 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.888 11.280 3.802 1.00 0.00 H new ATOM 1133 N GLY A 84 14.011 6.522 -4.079 1.00 0.00 N ATOM 1134 CA GLY A 84 14.935 5.647 -4.765 1.00 0.00 C ATOM 1135 C GLY A 84 14.350 4.269 -4.971 1.00 0.00 C ATOM 1136 O GLY A 84 13.180 4.043 -4.676 1.00 0.00 O ATOM 0 H GLY A 84 13.060 6.163 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.197 6.079 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.858 5.569 -4.190 1.00 0.00 H new ATOM 1140 N THR A 85 15.153 3.351 -5.480 1.00 0.00 N ATOM 1141 CA THR A 85 14.702 1.992 -5.721 1.00 0.00 C ATOM 1142 C THR A 85 14.756 1.162 -4.437 1.00 0.00 C ATOM 1143 O THR A 85 15.782 1.115 -3.753 1.00 0.00 O ATOM 1144 CB THR A 85 15.559 1.326 -6.811 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.667 2.202 -7.938 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.957 0.003 -7.251 1.00 0.00 C ATOM 0 H THR A 85 16.125 3.524 -5.735 1.00 0.00 H new ATOM 0 HA THR A 85 13.667 2.037 -6.061 1.00 0.00 H new ATOM 0 HB THR A 85 16.548 1.130 -6.396 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.215 1.777 -8.631 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.585 -0.444 -8.022 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.896 -0.671 -6.397 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.957 0.173 -7.651 1.00 0.00 H new ATOM 1154 N VAL A 86 13.643 0.518 -4.114 1.00 0.00 N ATOM 1155 CA VAL A 86 13.548 -0.308 -2.921 1.00 0.00 C ATOM 1156 C VAL A 86 13.506 -1.777 -3.320 1.00 0.00 C ATOM 1157 O VAL A 86 12.906 -2.131 -4.336 1.00 0.00 O ATOM 1158 CB VAL A 86 12.291 0.031 -2.089 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.477 -0.386 -0.640 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.954 1.511 -2.181 1.00 0.00 C ATOM 0 H VAL A 86 12.787 0.553 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 86 14.425 -0.108 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 86 11.454 -0.530 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.580 -0.138 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.653 -1.461 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.332 0.141 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.065 1.719 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.790 2.099 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.765 1.777 -3.221 1.00 0.00 H new ATOM 1170 N ASP A 87 14.140 -2.632 -2.535 1.00 0.00 N ATOM 1171 CA ASP A 87 14.172 -4.051 -2.844 1.00 0.00 C ATOM 1172 C ASP A 87 13.717 -4.882 -1.652 1.00 0.00 C ATOM 1173 O ASP A 87 14.161 -4.671 -0.524 1.00 0.00 O ATOM 1174 CB ASP A 87 15.583 -4.460 -3.259 1.00 0.00 C ATOM 1175 CG ASP A 87 15.673 -5.929 -3.599 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.323 -6.307 -4.736 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.087 -6.722 -2.729 1.00 0.00 O ATOM 0 H ASP A 87 14.637 -2.370 -1.684 1.00 0.00 H new ATOM 0 HA ASP A 87 13.484 -4.237 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.892 -3.869 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.278 -4.232 -2.451 1.00 0.00 H new ATOM 1182 N CYS A 88 12.825 -5.826 -1.909 1.00 0.00 N ATOM 1183 CA CYS A 88 12.308 -6.689 -0.859 1.00 0.00 C ATOM 1184 C CYS A 88 12.871 -8.103 -0.983 1.00 0.00 C ATOM 1185 O CYS A 88 12.316 -9.052 -0.431 1.00 0.00 O ATOM 1186 CB CYS A 88 10.778 -6.722 -0.900 1.00 0.00 C ATOM 1187 SG CYS A 88 9.986 -5.274 -0.123 1.00 0.00 S ATOM 0 H CYS A 88 12.444 -6.014 -2.836 1.00 0.00 H new ATOM 0 HA CYS A 88 12.626 -6.280 0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.454 -6.788 -1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.430 -7.626 -0.400 1.00 0.00 H new ATOM 1192 N THR A 89 13.976 -8.249 -1.706 1.00 0.00 N ATOM 1193 CA THR A 89 14.599 -9.556 -1.864 1.00 0.00 C ATOM 1194 C THR A 89 15.432 -9.884 -0.626 1.00 0.00 C ATOM 1195 O THR A 89 15.616 -11.048 -0.275 1.00 0.00 O ATOM 1196 CB THR A 89 15.498 -9.627 -3.119 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.896 -8.909 -4.206 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.736 -11.070 -3.539 1.00 0.00 C ATOM 0 H THR A 89 14.454 -7.487 -2.187 1.00 0.00 H new ATOM 0 HA THR A 89 13.798 -10.285 -1.986 1.00 0.00 H new ATOM 0 HB THR A 89 16.456 -9.171 -2.868 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.461 -8.146 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.371 -11.091 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.226 -11.609 -2.728 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.782 -11.545 -3.766 1.00 0.00 H new ATOM 1206 N THR A 90 15.931 -8.841 0.029 1.00 0.00 N ATOM 1207 CA THR A 90 16.732 -9.005 1.231 1.00 0.00 C ATOM 1208 C THR A 90 16.040 -8.346 2.422 1.00 0.00 C ATOM 1209 O THR A 90 16.658 -8.068 3.452 1.00 0.00 O ATOM 1210 CB THR A 90 18.145 -8.414 1.041 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.957 -8.677 2.193 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.092 -6.913 0.777 1.00 0.00 C ATOM 0 H THR A 90 15.793 -7.871 -0.256 1.00 0.00 H new ATOM 0 HA THR A 90 16.834 -10.072 1.427 1.00 0.00 H new ATOM 0 HB THR A 90 18.589 -8.897 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.423 -8.550 3.005 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.104 -6.530 0.648 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.514 -6.723 -0.128 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.619 -6.412 1.621 1.00 0.00 H new ATOM 1220 N ALA A 91 14.747 -8.115 2.273 1.00 0.00 N ATOM 1221 CA ALA A 91 13.954 -7.489 3.316 1.00 0.00 C ATOM 1222 C ALA A 91 12.506 -7.952 3.222 1.00 0.00 C ATOM 1223 O ALA A 91 12.210 -8.933 2.537 1.00 0.00 O ATOM 1224 CB ALA A 91 14.042 -5.973 3.207 1.00 0.00 C ATOM 0 H ALA A 91 14.221 -8.354 1.432 1.00 0.00 H new ATOM 0 HA ALA A 91 14.349 -7.786 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.443 -5.516 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.081 -5.660 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.665 -5.656 2.235 1.00 0.00 H new ATOM 1230 N ALA A 92 11.614 -7.254 3.905 1.00 0.00 N ATOM 1231 CA ALA A 92 10.202 -7.593 3.887 1.00 0.00 C ATOM 1232 C ALA A 92 9.392 -6.444 3.293 1.00 0.00 C ATOM 1233 O ALA A 92 9.723 -5.272 3.491 1.00 0.00 O ATOM 1234 CB ALA A 92 9.718 -7.921 5.293 1.00 0.00 C ATOM 0 H ALA A 92 11.845 -6.445 4.482 1.00 0.00 H new ATOM 0 HA ALA A 92 10.061 -8.475 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.658 -8.173 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.282 -8.768 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.867 -7.057 5.940 1.00 0.00 H new ATOM 1240 N CYS A 93 8.343 -6.783 2.562 1.00 0.00 N ATOM 1241 CA CYS A 93 7.488 -5.784 1.943 1.00 0.00 C ATOM 1242 C CYS A 93 6.219 -5.614 2.767 1.00 0.00 C ATOM 1243 O CYS A 93 5.692 -6.584 3.313 1.00 0.00 O ATOM 1244 CB CYS A 93 7.139 -6.199 0.513 1.00 0.00 C ATOM 1245 SG CYS A 93 8.066 -5.316 -0.791 1.00 0.00 S ATOM 0 H CYS A 93 8.062 -7.747 2.382 1.00 0.00 H new ATOM 0 HA CYS A 93 8.019 -4.833 1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.319 -7.269 0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.073 -6.038 0.353 1.00 0.00 H new ATOM 1250 N GLN A 94 5.731 -4.392 2.862 1.00 0.00 N ATOM 1251 CA GLN A 94 4.526 -4.117 3.634 1.00 0.00 C ATOM 1252 C GLN A 94 3.469 -3.436 2.773 1.00 0.00 C ATOM 1253 O GLN A 94 3.785 -2.734 1.813 1.00 0.00 O ATOM 1254 CB GLN A 94 4.858 -3.262 4.862 1.00 0.00 C ATOM 1255 CG GLN A 94 5.927 -2.211 4.611 1.00 0.00 C ATOM 1256 CD GLN A 94 6.883 -2.055 5.778 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.061 -1.757 5.593 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.384 -2.246 6.989 1.00 0.00 N ATOM 0 H GLN A 94 6.146 -3.573 2.417 1.00 0.00 H new ATOM 0 HA GLN A 94 4.118 -5.068 3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.949 -2.767 5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.188 -3.916 5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.492 -2.480 3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.448 -1.253 4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.401 -2.492 7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.983 -2.147 7.809 1.00 0.00 H new ATOM 1267 N VAL A 95 2.211 -3.667 3.116 1.00 0.00 N ATOM 1268 CA VAL A 95 1.098 -3.087 2.384 1.00 0.00 C ATOM 1269 C VAL A 95 0.795 -1.686 2.904 1.00 0.00 C ATOM 1270 O VAL A 95 0.393 -1.517 4.058 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.176 -3.952 2.501 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.188 -3.562 1.439 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.158 -5.433 2.398 1.00 0.00 C ATOM 0 H VAL A 95 1.935 -4.256 3.902 1.00 0.00 H new ATOM 0 HA VAL A 95 1.391 -3.041 1.335 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.615 -3.770 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.078 -4.183 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.461 -2.514 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.753 -3.708 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.757 -6.019 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.629 -5.634 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.842 -5.708 3.201 1.00 0.00 H new ATOM 1283 N GLY A 96 0.996 -0.690 2.056 1.00 0.00 N ATOM 1284 CA GLY A 96 0.742 0.676 2.447 1.00 0.00 C ATOM 1285 C GLY A 96 -0.631 1.139 2.025 1.00 0.00 C ATOM 1286 O GLY A 96 -0.874 1.390 0.846 1.00 0.00 O ATOM 0 H GLY A 96 1.332 -0.806 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.839 0.767 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.496 1.326 2.003 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.529 1.233 2.991 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.894 1.664 2.737 1.00 0.00 C ATOM 1292 C LEU A 97 -3.190 2.952 3.492 1.00 0.00 C ATOM 1293 O LEU A 97 -3.147 2.983 4.721 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.888 0.570 3.153 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.264 -0.675 3.801 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.035 -0.459 5.290 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.142 -1.892 3.577 1.00 0.00 C ATOM 0 H LEU A 97 -1.335 1.014 3.968 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.004 1.849 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.606 1.001 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.449 0.258 2.272 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.298 -0.849 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.593 -1.356 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.361 0.385 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.987 -0.252 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.682 -2.763 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.123 -1.719 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.252 -2.069 2.507 1.00 0.00 H new ATOM 1309 N SER A 98 -3.457 4.020 2.757 1.00 0.00 N ATOM 1310 CA SER A 98 -3.756 5.306 3.370 1.00 0.00 C ATOM 1311 C SER A 98 -4.693 6.123 2.487 1.00 0.00 C ATOM 1312 O SER A 98 -4.843 5.838 1.302 1.00 0.00 O ATOM 1313 CB SER A 98 -2.463 6.091 3.615 1.00 0.00 C ATOM 1314 OG SER A 98 -1.523 5.325 4.352 1.00 0.00 O ATOM 0 H SER A 98 -3.473 4.023 1.737 1.00 0.00 H new ATOM 0 HA SER A 98 -4.249 5.119 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.027 6.384 2.660 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.690 7.009 4.156 1.00 0.00 H new ATOM 0 HG SER A 98 -0.709 5.852 4.491 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.329 7.128 3.071 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.239 7.992 2.325 1.00 0.00 C ATOM 1322 C ASP A 99 -5.454 9.110 1.643 1.00 0.00 C ATOM 1323 O ASP A 99 -4.223 9.105 1.663 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.310 8.575 3.261 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.856 9.844 3.957 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.954 9.765 4.820 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.391 10.927 3.632 1.00 0.00 O ATOM 0 H ASP A 99 -5.233 7.367 4.058 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.741 7.401 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.213 8.784 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.575 7.830 4.011 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.163 10.058 1.036 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.524 11.181 0.360 1.00 0.00 C ATOM 1334 C ALA A 100 -4.642 11.985 1.319 1.00 0.00 C ATOM 1335 O ALA A 100 -3.618 12.538 0.914 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.576 12.075 -0.275 1.00 0.00 C ATOM 0 H ALA A 100 -7.182 10.070 0.999 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.879 10.781 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.088 12.911 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.151 11.501 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.244 12.456 0.497 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.041 12.051 2.588 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.273 12.776 3.591 1.00 0.00 C ATOM 1344 C ALA A 101 -3.045 11.967 4.000 1.00 0.00 C ATOM 1345 O ALA A 101 -1.970 12.521 4.242 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.134 13.092 4.809 1.00 0.00 C ATOM 0 H ALA A 101 -5.890 11.611 2.943 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.943 13.719 3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.539 13.634 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.982 13.705 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.497 12.163 5.249 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.213 10.652 4.078 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.111 9.780 4.438 1.00 0.00 C ATOM 1354 C GLY A 102 -2.337 9.038 5.741 1.00 0.00 C ATOM 1355 O GLY A 102 -1.381 8.583 6.375 1.00 0.00 O ATOM 0 H GLY A 102 -4.095 10.173 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.953 9.057 3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.199 10.372 4.518 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.593 8.901 6.145 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.915 8.203 7.385 1.00 0.00 C ATOM 1361 C ASN A 103 -4.891 7.059 7.128 1.00 0.00 C ATOM 1362 O ASN A 103 -5.212 6.755 5.976 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.509 9.178 8.405 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.454 9.981 9.143 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.332 9.515 9.354 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.809 11.190 9.543 1.00 0.00 N ATOM 0 H ASN A 103 -4.401 9.261 5.637 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.992 7.785 7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.186 9.862 7.894 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.105 8.621 9.128 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.144 11.776 10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.748 11.537 9.347 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.360 6.430 8.202 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.295 5.328 8.076 1.00 0.00 C ATOM 1375 C GLY A 104 -5.870 4.132 8.903 1.00 0.00 C ATOM 1376 O GLY A 104 -5.427 4.296 10.043 1.00 0.00 O ATOM 0 H GLY A 104 -5.107 6.666 9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.286 5.654 8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.374 5.036 7.029 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.000 2.914 8.358 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.606 1.692 9.060 1.00 0.00 C ATOM 1382 C PRO A 105 -4.086 1.538 9.119 1.00 0.00 C ATOM 1383 O PRO A 105 -3.351 2.266 8.448 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.229 0.581 8.215 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.325 1.153 6.842 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.545 2.631 7.014 1.00 0.00 C ATOM 0 HA PRO A 105 -5.938 1.684 10.098 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.612 -0.318 8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.211 0.299 8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.414 0.959 6.276 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.147 0.699 6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.029 3.205 6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.602 2.888 6.949 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.622 0.586 9.916 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.193 0.341 10.067 1.00 0.00 C ATOM 1396 C GLU A 106 -1.689 -0.581 8.959 1.00 0.00 C ATOM 1397 O GLU A 106 -2.365 -1.540 8.583 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.910 -0.276 11.436 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.451 -0.210 11.851 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.190 -0.929 13.156 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.425 -0.334 14.229 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.238 -2.100 13.113 1.00 0.00 O ATOM 0 H GLU A 106 -4.216 -0.031 10.470 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.666 1.292 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.514 0.235 12.186 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.228 -1.319 11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.167 -0.649 11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.150 0.833 11.948 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.507 -0.283 8.438 1.00 0.00 N ATOM 1410 CA GLY A 107 0.065 -1.089 7.378 1.00 0.00 C ATOM 1411 C GLY A 107 0.499 -2.461 7.862 1.00 0.00 C ATOM 1412 O GLY A 107 1.054 -2.593 8.954 1.00 0.00 O ATOM 0 H GLY A 107 0.068 0.506 8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.666 -1.204 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.923 -0.569 6.953 1.00 0.00 H new ATOM 1416 N VAL A 108 0.259 -3.478 7.046 1.00 0.00 N ATOM 1417 CA VAL A 108 0.614 -4.845 7.398 1.00 0.00 C ATOM 1418 C VAL A 108 1.868 -5.283 6.647 1.00 0.00 C ATOM 1419 O VAL A 108 1.968 -5.107 5.434 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.544 -5.818 7.085 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.209 -7.225 7.553 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.838 -5.326 7.726 1.00 0.00 C ATOM 0 H VAL A 108 -0.182 -3.381 6.132 1.00 0.00 H new ATOM 0 HA VAL A 108 0.811 -4.870 8.470 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.685 -5.849 6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.039 -7.893 7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.690 -7.574 7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.037 -7.219 8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.645 -6.022 7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.708 -5.264 8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.087 -4.340 7.333 1.00 0.00 H new ATOM 1432 N ALA A 109 2.829 -5.836 7.375 1.00 0.00 N ATOM 1433 CA ALA A 109 4.076 -6.300 6.781 1.00 0.00 C ATOM 1434 C ALA A 109 4.015 -7.797 6.506 1.00 0.00 C ATOM 1435 O ALA A 109 3.605 -8.575 7.368 1.00 0.00 O ATOM 1436 CB ALA A 109 5.244 -5.975 7.698 1.00 0.00 C ATOM 0 H ALA A 109 2.768 -5.975 8.384 1.00 0.00 H new ATOM 0 HA ALA A 109 4.222 -5.785 5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.171 -6.326 7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.299 -4.897 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.100 -6.469 8.659 1.00 0.00 H new ATOM 1442 N ILE A 110 4.423 -8.195 5.308 1.00 0.00 N ATOM 1443 CA ILE A 110 4.404 -9.597 4.916 1.00 0.00 C ATOM 1444 C ILE A 110 5.792 -10.047 4.471 1.00 0.00 C ATOM 1445 O ILE A 110 6.711 -9.235 4.341 1.00 0.00 O ATOM 1446 CB ILE A 110 3.402 -9.858 3.764 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.814 -9.080 2.508 1.00 0.00 C ATOM 1448 CG2 ILE A 110 1.986 -9.480 4.182 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.031 -9.460 1.270 1.00 0.00 C ATOM 0 H ILE A 110 4.773 -7.563 4.588 1.00 0.00 H new ATOM 0 HA ILE A 110 4.089 -10.167 5.790 1.00 0.00 H new ATOM 0 HB ILE A 110 3.418 -10.923 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.686 -8.014 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.875 -9.246 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.300 -9.672 3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.690 -10.075 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.954 -8.422 4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.379 -8.868 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.178 -10.519 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.971 -9.267 1.436 1.00 0.00 H new ATOM 1461 N SER A 111 5.944 -11.339 4.241 1.00 0.00 N ATOM 1462 CA SER A 111 7.217 -11.892 3.805 1.00 0.00 C ATOM 1463 C SER A 111 6.987 -13.038 2.831 1.00 0.00 C ATOM 1464 O SER A 111 5.978 -13.746 2.922 1.00 0.00 O ATOM 1465 CB SER A 111 8.023 -12.375 5.010 1.00 0.00 C ATOM 1466 OG SER A 111 7.977 -11.422 6.059 1.00 0.00 O ATOM 0 H SER A 111 5.200 -12.028 4.349 1.00 0.00 H new ATOM 0 HA SER A 111 7.782 -11.111 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.627 -13.328 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.058 -12.549 4.715 1.00 0.00 H new ATOM 0 HG SER A 111 8.497 -11.750 6.822 1.00 0.00 H new ATOM 1472 N PHE A 112 7.910 -13.208 1.895 1.00 0.00 N ATOM 1473 CA PHE A 112 7.806 -14.275 0.913 1.00 0.00 C ATOM 1474 C PHE A 112 8.387 -15.564 1.476 1.00 0.00 C ATOM 1475 O PHE A 112 9.165 -15.536 2.434 1.00 0.00 O ATOM 1476 CB PHE A 112 8.529 -13.890 -0.378 1.00 0.00 C ATOM 1477 CG PHE A 112 8.029 -12.612 -0.995 1.00 0.00 C ATOM 1478 CD1 PHE A 112 6.673 -12.403 -1.198 1.00 0.00 C ATOM 1479 CD2 PHE A 112 8.919 -11.620 -1.371 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.218 -11.228 -1.766 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.471 -10.444 -1.937 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.120 -10.248 -2.136 1.00 0.00 C ATOM 0 H PHE A 112 8.738 -12.621 1.796 1.00 0.00 H new ATOM 0 HA PHE A 112 6.752 -14.433 0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.595 -13.790 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.419 -14.699 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.965 -13.166 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.978 -11.769 -1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.160 -11.076 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.177 -9.678 -2.224 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.767 -9.329 -2.581 1.00 0.00 H new ATOM 1492 N ASN A 113 8.011 -16.687 0.887 1.00 0.00 N ATOM 1493 CA ASN A 113 8.494 -17.986 1.337 1.00 0.00 C ATOM 1494 C ASN A 113 9.967 -18.151 0.988 1.00 0.00 C ATOM 1495 O ASN A 113 10.684 -18.861 1.728 1.00 0.00 O ATOM 1496 CB ASN A 113 7.664 -19.123 0.720 1.00 0.00 C ATOM 1497 CG ASN A 113 8.030 -19.421 -0.726 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.869 -20.280 -1.005 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.400 -18.721 -1.659 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.407 -17.554 -0.015 1.00 0.00 O ATOM 0 H ASN A 113 7.371 -16.727 0.094 1.00 0.00 H new ATOM 0 HA ASN A 113 8.383 -18.036 2.420 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.800 -20.026 1.315 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.607 -18.862 0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.604 -18.886 -2.645 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.711 -18.018 -1.391 1.00 0.00 H new