USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 837 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 64 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.41) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 0.712 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0.231 (180deg=0.202) USER MOD Single : A 23 GLN : amide:sc= 0.364 K(o=0.36,f=-0.28) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -1.9! C(o=-1.9!,f=-2.6!) USER MOD Single : A 37 ASN : amide:sc= -1.86 X(o=-1.9,f=-2.3) USER MOD Single : A 42 SER OG : rot -159:sc= 0.00522 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.778 K(o=-0.78,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0495 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.456 K(o=-0.46,f=-2.5!) USER MOD Single : A 66 MET CE :methyl 179:sc= -0.38 (180deg=-0.38) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 57:sc= 0.233 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc=-0.00323 X(o=-0.0032,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 35:sc= 0.0574 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00279 USER MOD Single : A 90 LYS NZ :NH3+ -157:sc= -0.0951 (180deg=-0.529) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 36:sc= 0.397 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.293 7.138 -21.913 1.00 0.00 N ATOM 2 CA GLY A 1 -31.891 8.017 -20.831 1.00 0.00 C ATOM 3 C GLY A 1 -30.410 7.919 -20.524 1.00 0.00 C ATOM 4 O GLY A 1 -29.571 8.229 -21.370 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.314 7.242 -22.084 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.770 7.388 -22.776 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.084 6.152 -21.655 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.137 9.046 -21.093 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.462 7.770 -19.936 1.00 0.00 H new ATOM 8 N SER A 2 -30.086 7.487 -19.309 1.00 0.00 N ATOM 9 CA SER A 2 -28.696 7.354 -18.890 1.00 0.00 C ATOM 10 C SER A 2 -27.832 8.444 -19.518 1.00 0.00 C ATOM 11 O SER A 2 -26.725 8.182 -19.988 1.00 0.00 O ATOM 12 CB SER A 2 -28.155 5.975 -19.275 1.00 0.00 C ATOM 13 OG SER A 2 -28.084 5.830 -20.683 1.00 0.00 O ATOM 0 H SER A 2 -30.768 7.223 -18.598 1.00 0.00 H new ATOM 0 HA SER A 2 -28.657 7.463 -17.806 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.165 5.835 -18.841 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.798 5.199 -18.858 1.00 0.00 H new ATOM 0 HG SER A 2 -27.734 4.941 -20.903 1.00 0.00 H new ATOM 19 N SER A 3 -28.348 9.670 -19.521 1.00 0.00 N ATOM 20 CA SER A 3 -27.627 10.800 -20.094 1.00 0.00 C ATOM 21 C SER A 3 -26.971 11.637 -19.000 1.00 0.00 C ATOM 22 O SER A 3 -27.629 12.068 -18.054 1.00 0.00 O ATOM 23 CB SER A 3 -28.576 11.672 -20.919 1.00 0.00 C ATOM 24 OG SER A 3 -27.903 12.805 -21.442 1.00 0.00 O ATOM 0 H SER A 3 -29.262 9.905 -19.133 1.00 0.00 H new ATOM 0 HA SER A 3 -26.846 10.408 -20.745 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.996 11.085 -21.736 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.411 11.996 -20.297 1.00 0.00 H new ATOM 0 HG SER A 3 -28.530 13.345 -21.966 1.00 0.00 H new ATOM 30 N GLY A 4 -25.668 11.862 -19.136 1.00 0.00 N ATOM 31 CA GLY A 4 -24.944 12.646 -18.153 1.00 0.00 C ATOM 32 C GLY A 4 -24.475 11.812 -16.977 1.00 0.00 C ATOM 33 O GLY A 4 -25.288 11.298 -16.209 1.00 0.00 O ATOM 0 H GLY A 4 -25.101 11.515 -19.910 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.082 13.114 -18.629 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.584 13.451 -17.791 1.00 0.00 H new ATOM 37 N SER A 5 -23.161 11.675 -16.837 1.00 0.00 N ATOM 38 CA SER A 5 -22.585 10.892 -15.750 1.00 0.00 C ATOM 39 C SER A 5 -21.134 11.292 -15.501 1.00 0.00 C ATOM 40 O SER A 5 -20.246 10.966 -16.288 1.00 0.00 O ATOM 41 CB SER A 5 -22.667 9.398 -16.069 1.00 0.00 C ATOM 42 OG SER A 5 -23.916 8.859 -15.672 1.00 0.00 O ATOM 0 H SER A 5 -22.474 12.096 -17.463 1.00 0.00 H new ATOM 0 HA SER A 5 -23.159 11.095 -14.846 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.524 9.243 -17.138 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.861 8.870 -15.560 1.00 0.00 H new ATOM 0 HG SER A 5 -24.597 9.564 -15.689 1.00 0.00 H new ATOM 48 N SER A 6 -20.902 12.000 -14.401 1.00 0.00 N ATOM 49 CA SER A 6 -19.560 12.449 -14.049 1.00 0.00 C ATOM 50 C SER A 6 -18.987 11.609 -12.911 1.00 0.00 C ATOM 51 O SER A 6 -19.695 10.814 -12.294 1.00 0.00 O ATOM 52 CB SER A 6 -19.581 13.925 -13.647 1.00 0.00 C ATOM 53 OG SER A 6 -19.731 14.760 -14.782 1.00 0.00 O ATOM 0 H SER A 6 -21.626 12.275 -13.738 1.00 0.00 H new ATOM 0 HA SER A 6 -18.922 12.327 -14.925 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.399 14.104 -12.949 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.657 14.177 -13.126 1.00 0.00 H new ATOM 0 HG SER A 6 -19.743 15.698 -14.499 1.00 0.00 H new ATOM 59 N GLY A 7 -17.698 11.791 -12.640 1.00 0.00 N ATOM 60 CA GLY A 7 -17.051 11.044 -11.578 1.00 0.00 C ATOM 61 C GLY A 7 -15.623 10.668 -11.920 1.00 0.00 C ATOM 62 O GLY A 7 -15.384 9.678 -12.610 1.00 0.00 O ATOM 0 H GLY A 7 -17.091 12.442 -13.137 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.058 11.638 -10.664 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.623 10.139 -11.374 1.00 0.00 H new ATOM 66 N MET A 8 -14.672 11.462 -11.438 1.00 0.00 N ATOM 67 CA MET A 8 -13.260 11.207 -11.698 1.00 0.00 C ATOM 68 C MET A 8 -12.384 11.860 -10.634 1.00 0.00 C ATOM 69 O MET A 8 -12.221 13.079 -10.614 1.00 0.00 O ATOM 70 CB MET A 8 -12.872 11.727 -13.084 1.00 0.00 C ATOM 71 CG MET A 8 -13.493 10.938 -14.225 1.00 0.00 C ATOM 72 SD MET A 8 -15.096 11.592 -14.730 1.00 0.00 S ATOM 73 CE MET A 8 -14.590 12.923 -15.817 1.00 0.00 C ATOM 0 H MET A 8 -14.854 12.287 -10.866 1.00 0.00 H new ATOM 0 HA MET A 8 -13.100 10.129 -11.664 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.174 12.771 -13.169 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.787 11.700 -13.183 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.816 10.947 -15.079 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.609 9.898 -13.921 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.473 13.426 -16.211 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.984 13.637 -15.260 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.005 12.516 -16.642 1.00 0.00 H new ATOM 83 N MET A 9 -11.824 11.040 -9.750 1.00 0.00 N ATOM 84 CA MET A 9 -10.964 11.540 -8.683 1.00 0.00 C ATOM 85 C MET A 9 -9.735 10.653 -8.516 1.00 0.00 C ATOM 86 O MET A 9 -9.583 9.648 -9.212 1.00 0.00 O ATOM 87 CB MET A 9 -11.739 11.611 -7.366 1.00 0.00 C ATOM 88 CG MET A 9 -12.687 10.441 -7.154 1.00 0.00 C ATOM 89 SD MET A 9 -13.901 10.757 -5.859 1.00 0.00 S ATOM 90 CE MET A 9 -15.178 11.600 -6.790 1.00 0.00 C ATOM 0 H MET A 9 -11.950 10.028 -9.751 1.00 0.00 H new ATOM 0 HA MET A 9 -10.633 12.542 -8.956 1.00 0.00 H new ATOM 0 HB2 MET A 9 -11.030 11.648 -6.539 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.309 12.539 -7.339 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.206 10.225 -8.088 1.00 0.00 H new ATOM 0 HG3 MET A 9 -12.110 9.553 -6.897 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.001 11.861 -6.125 1.00 0.00 H new ATOM 0 HE2 MET A 9 -14.767 12.507 -7.232 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.545 10.945 -7.580 1.00 0.00 H new ATOM 100 N ILE A 10 -8.860 11.030 -7.589 1.00 0.00 N ATOM 101 CA ILE A 10 -7.645 10.268 -7.331 1.00 0.00 C ATOM 102 C ILE A 10 -7.955 8.976 -6.583 1.00 0.00 C ATOM 103 O ILE A 10 -7.678 7.881 -7.073 1.00 0.00 O ATOM 104 CB ILE A 10 -6.628 11.089 -6.516 1.00 0.00 C ATOM 105 CG1 ILE A 10 -5.946 12.127 -7.408 1.00 0.00 C ATOM 106 CG2 ILE A 10 -5.596 10.171 -5.878 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.722 13.420 -7.533 1.00 0.00 C ATOM 0 H ILE A 10 -8.970 11.859 -7.004 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.211 10.028 -8.302 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.160 11.613 -5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.956 12.344 -7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.802 11.702 -8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.884 10.766 -5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.097 9.466 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.066 9.622 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.179 14.109 -8.180 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.703 13.216 -7.962 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.844 13.868 -6.547 1.00 0.00 H new ATOM 119 N ARG A 11 -8.532 9.111 -5.394 1.00 0.00 N ATOM 120 CA ARG A 11 -8.881 7.955 -4.578 1.00 0.00 C ATOM 121 C ARG A 11 -9.466 6.838 -5.438 1.00 0.00 C ATOM 122 O ARG A 11 -9.189 5.661 -5.215 1.00 0.00 O ATOM 123 CB ARG A 11 -9.882 8.353 -3.491 1.00 0.00 C ATOM 124 CG ARG A 11 -11.041 9.189 -4.008 1.00 0.00 C ATOM 125 CD ARG A 11 -12.251 9.090 -3.092 1.00 0.00 C ATOM 126 NE ARG A 11 -13.066 7.915 -3.386 1.00 0.00 N ATOM 127 CZ ARG A 11 -14.038 7.478 -2.594 1.00 0.00 C ATOM 128 NH1 ARG A 11 -14.315 8.115 -1.464 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.737 6.401 -2.930 1.00 0.00 N ATOM 0 H ARG A 11 -8.768 10.010 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.970 7.588 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.276 7.451 -3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.360 8.912 -2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.731 10.231 -4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.313 8.856 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.918 9.050 -2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.859 9.988 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.878 7.402 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.781 8.943 -1.201 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.062 7.777 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.528 5.908 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.483 6.067 -2.320 1.00 0.00 H new ATOM 143 N GLU A 12 -10.276 7.219 -6.421 1.00 0.00 N ATOM 144 CA GLU A 12 -10.901 6.249 -7.313 1.00 0.00 C ATOM 145 C GLU A 12 -9.855 5.559 -8.184 1.00 0.00 C ATOM 146 O GLU A 12 -9.785 4.331 -8.233 1.00 0.00 O ATOM 147 CB GLU A 12 -11.945 6.935 -8.197 1.00 0.00 C ATOM 148 CG GLU A 12 -13.271 7.178 -7.497 1.00 0.00 C ATOM 149 CD GLU A 12 -14.053 5.900 -7.269 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.308 5.176 -8.255 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.411 5.623 -6.105 1.00 0.00 O ATOM 0 H GLU A 12 -10.514 8.191 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.394 5.494 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.546 7.889 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.118 6.323 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.088 7.663 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.871 7.865 -8.093 1.00 0.00 H new ATOM 158 N ARG A 13 -9.045 6.358 -8.871 1.00 0.00 N ATOM 159 CA ARG A 13 -8.004 5.825 -9.742 1.00 0.00 C ATOM 160 C ARG A 13 -7.059 4.913 -8.964 1.00 0.00 C ATOM 161 O ARG A 13 -6.631 3.873 -9.466 1.00 0.00 O ATOM 162 CB ARG A 13 -7.214 6.966 -10.385 1.00 0.00 C ATOM 163 CG ARG A 13 -8.045 7.831 -11.319 1.00 0.00 C ATOM 164 CD ARG A 13 -7.406 9.195 -11.531 1.00 0.00 C ATOM 165 NE ARG A 13 -6.248 9.125 -12.417 1.00 0.00 N ATOM 166 CZ ARG A 13 -5.802 10.156 -13.126 1.00 0.00 C ATOM 167 NH1 ARG A 13 -6.414 11.330 -13.052 1.00 0.00 N ATOM 168 NH2 ARG A 13 -4.740 10.014 -13.910 1.00 0.00 N ATOM 0 H ARG A 13 -9.090 7.377 -8.841 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.485 5.239 -10.525 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.794 7.594 -9.599 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.375 6.548 -10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.158 7.328 -12.279 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.046 7.957 -10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.143 9.879 -11.951 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.102 9.606 -10.569 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.754 8.236 -12.496 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.229 11.443 -12.450 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.069 12.120 -13.597 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.266 9.113 -13.968 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.398 10.806 -14.454 1.00 0.00 H new ATOM 182 N ILE A 14 -6.738 5.311 -7.738 1.00 0.00 N ATOM 183 CA ILE A 14 -5.844 4.529 -6.892 1.00 0.00 C ATOM 184 C ILE A 14 -6.337 3.093 -6.751 1.00 0.00 C ATOM 185 O ILE A 14 -5.670 2.153 -7.181 1.00 0.00 O ATOM 186 CB ILE A 14 -5.707 5.153 -5.490 1.00 0.00 C ATOM 187 CG1 ILE A 14 -4.996 6.505 -5.577 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.954 4.211 -4.562 1.00 0.00 C ATOM 189 CD1 ILE A 14 -4.756 7.149 -4.230 1.00 0.00 C ATOM 0 H ILE A 14 -7.083 6.169 -7.308 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.868 4.530 -7.378 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.704 5.314 -5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.040 6.372 -6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.590 7.180 -6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.865 4.666 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.497 3.270 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.959 4.022 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.248 8.104 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.711 7.315 -3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.136 6.494 -3.619 1.00 0.00 H new ATOM 201 N GLU A 15 -7.510 2.932 -6.146 1.00 0.00 N ATOM 202 CA GLU A 15 -8.093 1.610 -5.949 1.00 0.00 C ATOM 203 C GLU A 15 -8.213 0.866 -7.276 1.00 0.00 C ATOM 204 O GLU A 15 -7.687 -0.236 -7.431 1.00 0.00 O ATOM 205 CB GLU A 15 -9.469 1.728 -5.292 1.00 0.00 C ATOM 206 CG GLU A 15 -9.419 1.739 -3.773 1.00 0.00 C ATOM 207 CD GLU A 15 -10.676 2.318 -3.152 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.326 3.161 -3.804 1.00 0.00 O ATOM 209 OE2 GLU A 15 -11.009 1.926 -2.014 1.00 0.00 O ATOM 0 H GLU A 15 -8.075 3.700 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.433 1.044 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.950 2.643 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.092 0.896 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.275 0.721 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.556 2.319 -3.446 1.00 0.00 H new ATOM 216 N GLU A 16 -8.908 1.477 -8.230 1.00 0.00 N ATOM 217 CA GLU A 16 -9.099 0.871 -9.543 1.00 0.00 C ATOM 218 C GLU A 16 -7.876 0.053 -9.947 1.00 0.00 C ATOM 219 O GLU A 16 -8.000 -1.040 -10.500 1.00 0.00 O ATOM 220 CB GLU A 16 -9.374 1.951 -10.592 1.00 0.00 C ATOM 221 CG GLU A 16 -10.799 2.477 -10.564 1.00 0.00 C ATOM 222 CD GLU A 16 -11.815 1.433 -10.983 1.00 0.00 C ATOM 223 OE1 GLU A 16 -11.895 1.133 -12.193 1.00 0.00 O ATOM 224 OE2 GLU A 16 -12.530 0.914 -10.100 1.00 0.00 O ATOM 0 H GLU A 16 -9.348 2.390 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.959 0.203 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.686 2.782 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.164 1.546 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.034 2.824 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.877 3.340 -11.225 1.00 0.00 H new ATOM 231 N LYS A 17 -6.693 0.591 -9.668 1.00 0.00 N ATOM 232 CA LYS A 17 -5.446 -0.087 -10.001 1.00 0.00 C ATOM 233 C LYS A 17 -5.171 -1.229 -9.027 1.00 0.00 C ATOM 234 O LYS A 17 -5.204 -2.401 -9.404 1.00 0.00 O ATOM 235 CB LYS A 17 -4.281 0.905 -9.982 1.00 0.00 C ATOM 236 CG LYS A 17 -4.121 1.680 -11.279 1.00 0.00 C ATOM 237 CD LYS A 17 -2.670 2.060 -11.525 1.00 0.00 C ATOM 238 CE LYS A 17 -2.526 2.934 -12.762 1.00 0.00 C ATOM 239 NZ LYS A 17 -1.168 3.539 -12.858 1.00 0.00 N ATOM 0 H LYS A 17 -6.572 1.495 -9.212 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.544 -0.503 -11.004 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.428 1.609 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.357 0.364 -9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.487 1.078 -12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.733 2.581 -11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.279 2.590 -10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.071 1.157 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.722 2.338 -13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.275 3.725 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.150 4.231 -13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.937 4.016 -11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.468 2.793 -13.043 1.00 0.00 H new ATOM 253 N LEU A 18 -4.901 -0.880 -7.774 1.00 0.00 N ATOM 254 CA LEU A 18 -4.622 -1.876 -6.746 1.00 0.00 C ATOM 255 C LEU A 18 -5.458 -3.132 -6.963 1.00 0.00 C ATOM 256 O LEU A 18 -4.985 -4.249 -6.754 1.00 0.00 O ATOM 257 CB LEU A 18 -4.902 -1.297 -5.358 1.00 0.00 C ATOM 258 CG LEU A 18 -4.288 0.073 -5.066 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.711 0.565 -3.690 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.771 0.011 -5.169 1.00 0.00 C ATOM 0 H LEU A 18 -4.869 0.085 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.568 -2.147 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.982 -1.224 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.538 -2.003 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.654 0.780 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.265 1.541 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.797 0.649 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.375 -0.142 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.351 0.995 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.386 -0.710 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.487 -0.296 -6.175 1.00 0.00 H new ATOM 272 N ARG A 19 -6.703 -2.942 -7.387 1.00 0.00 N ATOM 273 CA ARG A 19 -7.606 -4.060 -7.634 1.00 0.00 C ATOM 274 C ARG A 19 -6.913 -5.148 -8.450 1.00 0.00 C ATOM 275 O ARG A 19 -6.905 -6.316 -8.064 1.00 0.00 O ATOM 276 CB ARG A 19 -8.859 -3.579 -8.367 1.00 0.00 C ATOM 277 CG ARG A 19 -9.907 -2.974 -7.448 1.00 0.00 C ATOM 278 CD ARG A 19 -11.259 -2.868 -8.137 1.00 0.00 C ATOM 279 NE ARG A 19 -11.851 -4.180 -8.384 1.00 0.00 N ATOM 280 CZ ARG A 19 -13.156 -4.382 -8.527 1.00 0.00 C ATOM 281 NH1 ARG A 19 -14.001 -3.363 -8.448 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.619 -5.605 -8.750 1.00 0.00 N ATOM 0 H ARG A 19 -7.110 -2.024 -7.567 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.896 -4.480 -6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.571 -2.839 -9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.300 -4.418 -8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.002 -3.585 -6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.583 -1.984 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.935 -2.276 -7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.144 -2.338 -9.083 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.228 -4.985 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.649 -2.421 -8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.003 -3.521 -8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.973 -6.392 -8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.621 -5.759 -8.860 1.00 0.00 H new ATOM 296 N ALA A 20 -6.333 -4.754 -9.579 1.00 0.00 N ATOM 297 CA ALA A 20 -5.636 -5.695 -10.448 1.00 0.00 C ATOM 298 C ALA A 20 -4.151 -5.760 -10.109 1.00 0.00 C ATOM 299 O ALA A 20 -3.533 -6.821 -10.186 1.00 0.00 O ATOM 300 CB ALA A 20 -5.830 -5.308 -11.907 1.00 0.00 C ATOM 0 H ALA A 20 -6.332 -3.790 -9.913 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.062 -6.685 -10.286 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.305 -6.019 -12.545 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.893 -5.321 -12.149 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.432 -4.307 -12.074 1.00 0.00 H new ATOM 306 N ALA A 21 -3.584 -4.618 -9.733 1.00 0.00 N ATOM 307 CA ALA A 21 -2.172 -4.546 -9.380 1.00 0.00 C ATOM 308 C ALA A 21 -1.769 -5.714 -8.487 1.00 0.00 C ATOM 309 O ALA A 21 -0.870 -6.485 -8.825 1.00 0.00 O ATOM 310 CB ALA A 21 -1.867 -3.223 -8.692 1.00 0.00 C ATOM 0 H ALA A 21 -4.081 -3.730 -9.665 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.589 -4.608 -10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.809 -3.183 -8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.108 -2.399 -9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.465 -3.138 -7.785 1.00 0.00 H new ATOM 316 N PHE A 22 -2.438 -5.839 -7.346 1.00 0.00 N ATOM 317 CA PHE A 22 -2.148 -6.913 -6.403 1.00 0.00 C ATOM 318 C PHE A 22 -3.333 -7.867 -6.284 1.00 0.00 C ATOM 319 O PHE A 22 -3.163 -9.086 -6.287 1.00 0.00 O ATOM 320 CB PHE A 22 -1.804 -6.335 -5.029 1.00 0.00 C ATOM 321 CG PHE A 22 -0.593 -5.447 -5.038 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.680 -5.988 -5.119 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.727 -4.069 -4.966 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.796 -5.173 -5.129 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.385 -3.249 -4.975 1.00 0.00 C ATOM 326 CZ PHE A 22 1.649 -3.802 -5.056 1.00 0.00 C ATOM 0 H PHE A 22 -3.185 -5.210 -7.052 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.291 -7.471 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.658 -5.768 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.638 -7.155 -4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.802 -7.060 -5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.712 -3.631 -4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.782 -5.608 -5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.267 -2.177 -4.919 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.520 -3.163 -5.062 1.00 0.00 H new ATOM 336 N GLN A 23 -4.531 -7.302 -6.178 1.00 0.00 N ATOM 337 CA GLN A 23 -5.744 -8.102 -6.056 1.00 0.00 C ATOM 338 C GLN A 23 -5.867 -8.694 -4.656 1.00 0.00 C ATOM 339 O GLN A 23 -6.064 -9.897 -4.480 1.00 0.00 O ATOM 340 CB GLN A 23 -5.749 -9.222 -7.099 1.00 0.00 C ATOM 341 CG GLN A 23 -5.279 -8.775 -8.474 1.00 0.00 C ATOM 342 CD GLN A 23 -5.018 -9.939 -9.408 1.00 0.00 C ATOM 343 OE1 GLN A 23 -5.666 -10.982 -9.316 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.063 -9.768 -10.316 1.00 0.00 N ATOM 0 H GLN A 23 -4.688 -6.294 -6.174 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.599 -7.449 -6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.109 -10.033 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.758 -9.625 -7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.031 -8.121 -8.916 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.367 -8.187 -8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.550 -8.887 -10.357 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.843 -10.518 -10.972 1.00 0.00 H new ATOM 353 N PRO A 24 -5.749 -7.832 -3.636 1.00 0.00 N ATOM 354 CA PRO A 24 -5.844 -8.247 -2.233 1.00 0.00 C ATOM 355 C PRO A 24 -7.259 -8.662 -1.846 1.00 0.00 C ATOM 356 O PRO A 24 -8.112 -8.876 -2.708 1.00 0.00 O ATOM 357 CB PRO A 24 -5.425 -6.993 -1.463 1.00 0.00 C ATOM 358 CG PRO A 24 -5.737 -5.862 -2.381 1.00 0.00 C ATOM 359 CD PRO A 24 -5.513 -6.385 -3.773 1.00 0.00 C ATOM 0 HA PRO A 24 -5.225 -9.119 -2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.972 -6.904 -0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.364 -7.018 -1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.766 -5.526 -2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.094 -5.006 -2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.200 -5.932 -4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.503 -6.174 -4.124 1.00 0.00 H new ATOM 367 N VAL A 25 -7.503 -8.774 -0.544 1.00 0.00 N ATOM 368 CA VAL A 25 -8.816 -9.162 -0.043 1.00 0.00 C ATOM 369 C VAL A 25 -9.613 -7.944 0.409 1.00 0.00 C ATOM 370 O VAL A 25 -10.822 -7.863 0.190 1.00 0.00 O ATOM 371 CB VAL A 25 -8.698 -10.150 1.133 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.009 -11.431 0.687 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.953 -9.510 2.294 1.00 0.00 C ATOM 0 H VAL A 25 -6.808 -8.601 0.183 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.338 -9.649 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.702 -10.405 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.935 -12.117 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.589 -11.897 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.010 -11.198 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.879 -10.222 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.952 -9.224 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.493 -8.624 2.629 1.00 0.00 H new ATOM 383 N PHE A 26 -8.929 -6.997 1.042 1.00 0.00 N ATOM 384 CA PHE A 26 -9.573 -5.781 1.526 1.00 0.00 C ATOM 385 C PHE A 26 -9.075 -4.559 0.760 1.00 0.00 C ATOM 386 O PHE A 26 -7.947 -4.540 0.265 1.00 0.00 O ATOM 387 CB PHE A 26 -9.310 -5.601 3.023 1.00 0.00 C ATOM 388 CG PHE A 26 -10.211 -4.590 3.672 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.580 -4.628 3.464 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.689 -3.601 4.490 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.412 -3.699 4.060 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.516 -2.670 5.089 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.879 -2.718 4.873 1.00 0.00 C ATOM 0 H PHE A 26 -7.928 -7.048 1.232 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.646 -5.878 1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.434 -6.561 3.524 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.273 -5.298 3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.002 -5.393 2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.624 -3.557 4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.478 -3.740 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.097 -1.905 5.726 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.527 -1.990 5.339 1.00 0.00 H new ATOM 403 N LEU A 27 -9.924 -3.542 0.665 1.00 0.00 N ATOM 404 CA LEU A 27 -9.572 -2.315 -0.041 1.00 0.00 C ATOM 405 C LEU A 27 -10.481 -1.165 0.379 1.00 0.00 C ATOM 406 O LEU A 27 -11.705 -1.280 0.333 1.00 0.00 O ATOM 407 CB LEU A 27 -9.667 -2.529 -1.553 1.00 0.00 C ATOM 408 CG LEU A 27 -8.701 -1.708 -2.409 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.272 -2.189 -2.212 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.094 -1.783 -3.877 1.00 0.00 C ATOM 0 H LEU A 27 -10.861 -3.543 1.068 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.546 -2.056 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.498 -3.585 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.685 -2.301 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.759 -0.667 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.599 -1.593 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.993 -2.082 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.198 -3.237 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.396 -1.193 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.066 -2.821 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.102 -1.389 -4.004 1.00 0.00 H new ATOM 422 N GLU A 28 -9.873 -0.055 0.786 1.00 0.00 N ATOM 423 CA GLU A 28 -10.628 1.117 1.213 1.00 0.00 C ATOM 424 C GLU A 28 -9.771 2.377 1.129 1.00 0.00 C ATOM 425 O GLU A 28 -8.554 2.326 1.306 1.00 0.00 O ATOM 426 CB GLU A 28 -11.139 0.929 2.644 1.00 0.00 C ATOM 427 CG GLU A 28 -12.097 2.018 3.096 1.00 0.00 C ATOM 428 CD GLU A 28 -13.201 2.278 2.090 1.00 0.00 C ATOM 429 OE1 GLU A 28 -13.619 1.319 1.407 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.647 3.440 1.985 1.00 0.00 O ATOM 0 H GLU A 28 -8.860 0.057 0.829 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.480 1.232 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.639 -0.037 2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.288 0.900 3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.540 1.734 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.540 2.940 3.265 1.00 0.00 H new ATOM 437 N VAL A 29 -10.417 3.507 0.858 1.00 0.00 N ATOM 438 CA VAL A 29 -9.716 4.781 0.750 1.00 0.00 C ATOM 439 C VAL A 29 -10.531 5.910 1.369 1.00 0.00 C ATOM 440 O VAL A 29 -11.755 5.946 1.248 1.00 0.00 O ATOM 441 CB VAL A 29 -9.407 5.130 -0.718 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.817 6.527 -0.822 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.468 4.098 -1.324 1.00 0.00 C ATOM 0 H VAL A 29 -11.424 3.566 0.709 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.778 4.673 1.294 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.340 5.114 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.605 6.756 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.529 7.253 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.893 6.576 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.260 4.360 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.535 4.080 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.935 3.114 -1.285 1.00 0.00 H new ATOM 453 N VAL A 30 -9.843 6.834 2.034 1.00 0.00 N ATOM 454 CA VAL A 30 -10.502 7.967 2.671 1.00 0.00 C ATOM 455 C VAL A 30 -9.979 9.289 2.120 1.00 0.00 C ATOM 456 O VAL A 30 -8.904 9.751 2.504 1.00 0.00 O ATOM 457 CB VAL A 30 -10.304 7.946 4.198 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.819 9.233 4.822 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.994 6.735 4.808 1.00 0.00 C ATOM 0 H VAL A 30 -8.829 6.819 2.145 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.565 7.880 2.449 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.237 7.872 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.670 9.199 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.275 10.082 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.882 9.343 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.844 6.736 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.061 6.776 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.572 5.824 4.384 1.00 0.00 H new ATOM 469 N ASP A 31 -10.745 9.892 1.218 1.00 0.00 N ATOM 470 CA ASP A 31 -10.359 11.163 0.615 1.00 0.00 C ATOM 471 C ASP A 31 -11.043 12.329 1.321 1.00 0.00 C ATOM 472 O ASP A 31 -12.270 12.416 1.350 1.00 0.00 O ATOM 473 CB ASP A 31 -10.713 11.173 -0.873 1.00 0.00 C ATOM 474 CG ASP A 31 -9.942 12.226 -1.644 1.00 0.00 C ATOM 475 OD1 ASP A 31 -8.777 12.493 -1.281 1.00 0.00 O ATOM 476 OD2 ASP A 31 -10.503 12.782 -2.611 1.00 0.00 O ATOM 0 H ASP A 31 -11.636 9.522 0.888 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.281 11.277 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.507 10.191 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.782 11.352 -0.988 1.00 0.00 H new ATOM 481 N GLU A 32 -10.240 13.223 1.889 1.00 0.00 N ATOM 482 CA GLU A 32 -10.769 14.383 2.597 1.00 0.00 C ATOM 483 C GLU A 32 -10.138 15.672 2.077 1.00 0.00 C ATOM 484 O GLU A 32 -8.926 15.863 2.169 1.00 0.00 O ATOM 485 CB GLU A 32 -10.518 14.250 4.100 1.00 0.00 C ATOM 486 CG GLU A 32 -9.048 14.114 4.462 1.00 0.00 C ATOM 487 CD GLU A 32 -8.370 15.456 4.662 1.00 0.00 C ATOM 488 OE1 GLU A 32 -8.888 16.269 5.456 1.00 0.00 O ATOM 489 OE2 GLU A 32 -7.322 15.692 4.025 1.00 0.00 O ATOM 0 H GLU A 32 -9.222 13.166 1.873 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.843 14.426 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.929 15.123 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.058 13.380 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.955 13.525 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.533 13.565 3.674 1.00 0.00 H new ATOM 496 N SER A 33 -10.970 16.552 1.530 1.00 0.00 N ATOM 497 CA SER A 33 -10.495 17.821 0.991 1.00 0.00 C ATOM 498 C SER A 33 -11.195 18.996 1.668 1.00 0.00 C ATOM 499 O SER A 33 -10.799 20.149 1.500 1.00 0.00 O ATOM 500 CB SER A 33 -10.727 17.876 -0.520 1.00 0.00 C ATOM 501 OG SER A 33 -9.997 16.860 -1.186 1.00 0.00 O ATOM 0 H SER A 33 -11.977 16.410 1.448 1.00 0.00 H new ATOM 0 HA SER A 33 -9.426 17.894 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.790 17.763 -0.732 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.428 18.852 -0.902 1.00 0.00 H new ATOM 0 HG SER A 33 -10.164 16.916 -2.150 1.00 0.00 H new ATOM 507 N TYR A 34 -12.237 18.693 2.433 1.00 0.00 N ATOM 508 CA TYR A 34 -12.995 19.723 3.134 1.00 0.00 C ATOM 509 C TYR A 34 -13.065 21.004 2.310 1.00 0.00 C ATOM 510 O TYR A 34 -12.827 22.099 2.821 1.00 0.00 O ATOM 511 CB TYR A 34 -12.362 20.013 4.496 1.00 0.00 C ATOM 512 CG TYR A 34 -12.633 18.944 5.530 1.00 0.00 C ATOM 513 CD1 TYR A 34 -12.069 17.679 5.415 1.00 0.00 C ATOM 514 CD2 TYR A 34 -13.453 19.198 6.623 1.00 0.00 C ATOM 515 CE1 TYR A 34 -12.315 16.699 6.357 1.00 0.00 C ATOM 516 CE2 TYR A 34 -13.703 18.225 7.571 1.00 0.00 C ATOM 517 CZ TYR A 34 -13.132 16.977 7.433 1.00 0.00 C ATOM 518 OH TYR A 34 -13.379 16.004 8.375 1.00 0.00 O ATOM 0 H TYR A 34 -12.576 17.743 2.584 1.00 0.00 H new ATOM 0 HA TYR A 34 -14.009 19.353 3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.285 20.121 4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.737 20.967 4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.427 17.458 4.575 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -13.903 20.174 6.733 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.870 15.721 6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.342 18.440 8.415 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.972 16.362 9.068 1.00 0.00 H new ATOM 528 N ARG A 35 -13.392 20.860 1.030 1.00 0.00 N ATOM 529 CA ARG A 35 -13.493 22.004 0.133 1.00 0.00 C ATOM 530 C ARG A 35 -14.938 22.483 0.022 1.00 0.00 C ATOM 531 O ARG A 35 -15.207 23.685 0.028 1.00 0.00 O ATOM 532 CB ARG A 35 -12.957 21.642 -1.253 1.00 0.00 C ATOM 533 CG ARG A 35 -11.440 21.648 -1.340 1.00 0.00 C ATOM 534 CD ARG A 35 -10.964 21.546 -2.781 1.00 0.00 C ATOM 535 NE ARG A 35 -11.729 20.562 -3.542 1.00 0.00 N ATOM 536 CZ ARG A 35 -12.832 20.854 -4.222 1.00 0.00 C ATOM 537 NH1 ARG A 35 -13.296 22.096 -4.237 1.00 0.00 N ATOM 538 NH2 ARG A 35 -13.473 19.904 -4.890 1.00 0.00 N ATOM 0 H ARG A 35 -13.592 19.961 0.591 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.891 22.813 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.324 20.653 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.357 22.346 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.052 22.563 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.038 20.815 -0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.049 22.521 -3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.908 21.275 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.398 19.597 -3.552 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.806 22.830 -3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.143 22.318 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.119 18.947 -4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.320 20.130 -5.412 1.00 0.00 H new ATOM 552 N HIS A 36 -15.864 21.535 -0.079 1.00 0.00 N ATOM 553 CA HIS A 36 -17.282 21.859 -0.191 1.00 0.00 C ATOM 554 C HIS A 36 -17.890 22.117 1.185 1.00 0.00 C ATOM 555 O HIS A 36 -18.506 23.157 1.416 1.00 0.00 O ATOM 556 CB HIS A 36 -18.033 20.725 -0.889 1.00 0.00 C ATOM 557 CG HIS A 36 -18.115 19.471 -0.074 1.00 0.00 C ATOM 558 ND1 HIS A 36 -19.206 19.151 0.706 1.00 0.00 N ATOM 559 CD2 HIS A 36 -17.235 18.454 0.077 1.00 0.00 C ATOM 560 CE1 HIS A 36 -18.993 17.993 1.304 1.00 0.00 C ATOM 561 NE2 HIS A 36 -17.804 17.548 0.938 1.00 0.00 N ATOM 0 H HIS A 36 -15.658 20.536 -0.086 1.00 0.00 H new ATOM 0 HA HIS A 36 -17.376 22.767 -0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -19.042 21.061 -1.127 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -17.540 20.502 -1.835 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -16.266 18.370 -0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -19.675 17.495 1.977 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -17.378 16.674 1.245 1.00 0.00 H new ATOM 570 N ASN A 37 -17.713 21.164 2.093 1.00 0.00 N ATOM 571 CA ASN A 37 -18.246 21.287 3.445 1.00 0.00 C ATOM 572 C ASN A 37 -17.812 22.604 4.082 1.00 0.00 C ATOM 573 O ASN A 37 -18.635 23.353 4.609 1.00 0.00 O ATOM 574 CB ASN A 37 -17.781 20.113 4.308 1.00 0.00 C ATOM 575 CG ASN A 37 -17.930 20.391 5.792 1.00 0.00 C ATOM 576 OD1 ASN A 37 -18.881 21.046 6.219 1.00 0.00 O ATOM 577 ND2 ASN A 37 -16.989 19.892 6.585 1.00 0.00 N ATOM 0 H ASN A 37 -17.204 20.297 1.918 1.00 0.00 H new ATOM 0 HA ASN A 37 -19.334 21.274 3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.356 19.224 4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.737 19.893 4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.037 20.046 7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.219 19.355 6.187 1.00 0.00 H new ATOM 584 N VAL A 38 -16.513 22.881 4.030 1.00 0.00 N ATOM 585 CA VAL A 38 -15.969 24.107 4.601 1.00 0.00 C ATOM 586 C VAL A 38 -15.107 24.850 3.586 1.00 0.00 C ATOM 587 O VAL A 38 -14.514 24.257 2.685 1.00 0.00 O ATOM 588 CB VAL A 38 -15.127 23.817 5.857 1.00 0.00 C ATOM 589 CG1 VAL A 38 -15.984 23.174 6.937 1.00 0.00 C ATOM 590 CG2 VAL A 38 -13.939 22.932 5.510 1.00 0.00 C ATOM 0 H VAL A 38 -15.818 22.272 3.598 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.819 24.730 4.879 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.746 24.762 6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.372 22.976 7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -16.798 23.848 7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.397 22.237 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.355 22.737 6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.296 21.988 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.313 23.436 4.773 1.00 0.00 H new ATOM 600 N PRO A 39 -15.036 26.182 3.733 1.00 0.00 N ATOM 601 CA PRO A 39 -14.248 27.035 2.838 1.00 0.00 C ATOM 602 C PRO A 39 -12.747 26.836 3.020 1.00 0.00 C ATOM 603 O PRO A 39 -12.313 25.942 3.746 1.00 0.00 O ATOM 604 CB PRO A 39 -14.653 28.452 3.253 1.00 0.00 C ATOM 605 CG PRO A 39 -15.096 28.321 4.669 1.00 0.00 C ATOM 606 CD PRO A 39 -15.717 26.956 4.783 1.00 0.00 C ATOM 0 HA PRO A 39 -14.439 26.811 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.817 29.145 3.163 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.454 28.835 2.622 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.254 28.425 5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.814 29.099 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.556 26.523 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.794 26.990 4.622 1.00 0.00 H new ATOM 614 N ALA A 40 -11.959 27.674 2.355 1.00 0.00 N ATOM 615 CA ALA A 40 -10.506 27.591 2.445 1.00 0.00 C ATOM 616 C ALA A 40 -10.068 27.134 3.832 1.00 0.00 C ATOM 617 O ALA A 40 -10.494 27.689 4.844 1.00 0.00 O ATOM 618 CB ALA A 40 -9.879 28.936 2.108 1.00 0.00 C ATOM 0 H ALA A 40 -12.302 28.418 1.748 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.163 26.851 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.794 28.860 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.157 29.223 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.236 29.690 2.809 1.00 0.00 H new ATOM 624 N GLY A 41 -9.213 26.116 3.872 1.00 0.00 N ATOM 625 CA GLY A 41 -8.732 25.601 5.140 1.00 0.00 C ATOM 626 C GLY A 41 -8.855 24.093 5.238 1.00 0.00 C ATOM 627 O GLY A 41 -9.923 23.570 5.554 1.00 0.00 O ATOM 0 H GLY A 41 -8.845 25.639 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.688 25.887 5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.294 26.062 5.952 1.00 0.00 H new ATOM 631 N SER A 42 -7.759 23.393 4.964 1.00 0.00 N ATOM 632 CA SER A 42 -7.750 21.935 5.017 1.00 0.00 C ATOM 633 C SER A 42 -6.343 21.392 4.791 1.00 0.00 C ATOM 634 O SER A 42 -5.578 21.934 3.994 1.00 0.00 O ATOM 635 CB SER A 42 -8.706 21.360 3.970 1.00 0.00 C ATOM 636 OG SER A 42 -8.116 21.373 2.681 1.00 0.00 O ATOM 0 H SER A 42 -6.866 23.811 4.703 1.00 0.00 H new ATOM 0 HA SER A 42 -8.083 21.630 6.009 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.975 20.339 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.629 21.940 3.957 1.00 0.00 H new ATOM 0 HG SER A 42 -8.818 21.327 1.999 1.00 0.00 H new ATOM 642 N GLU A 43 -6.009 20.318 5.500 1.00 0.00 N ATOM 643 CA GLU A 43 -4.694 19.701 5.378 1.00 0.00 C ATOM 644 C GLU A 43 -4.754 18.461 4.491 1.00 0.00 C ATOM 645 O GLU A 43 -5.682 17.658 4.591 1.00 0.00 O ATOM 646 CB GLU A 43 -4.150 19.328 6.759 1.00 0.00 C ATOM 647 CG GLU A 43 -3.219 18.127 6.742 1.00 0.00 C ATOM 648 CD GLU A 43 -2.186 18.175 7.851 1.00 0.00 C ATOM 649 OE1 GLU A 43 -2.548 18.561 8.982 1.00 0.00 O ATOM 650 OE2 GLU A 43 -1.016 17.828 7.588 1.00 0.00 O ATOM 0 H GLU A 43 -6.631 19.858 6.165 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.024 20.425 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.618 20.184 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.987 19.119 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.807 17.214 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.711 18.079 5.779 1.00 0.00 H new ATOM 657 N SER A 44 -3.759 18.313 3.622 1.00 0.00 N ATOM 658 CA SER A 44 -3.701 17.173 2.714 1.00 0.00 C ATOM 659 C SER A 44 -3.490 15.874 3.485 1.00 0.00 C ATOM 660 O SER A 44 -2.364 15.392 3.616 1.00 0.00 O ATOM 661 CB SER A 44 -2.575 17.364 1.695 1.00 0.00 C ATOM 662 OG SER A 44 -3.022 18.108 0.575 1.00 0.00 O ATOM 0 H SER A 44 -2.983 18.968 3.528 1.00 0.00 H new ATOM 0 HA SER A 44 -4.653 17.111 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.737 17.878 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.208 16.391 1.367 1.00 0.00 H new ATOM 0 HG SER A 44 -2.284 18.218 -0.060 1.00 0.00 H new ATOM 668 N HIS A 45 -4.581 15.311 3.993 1.00 0.00 N ATOM 669 CA HIS A 45 -4.517 14.067 4.751 1.00 0.00 C ATOM 670 C HIS A 45 -5.135 12.917 3.961 1.00 0.00 C ATOM 671 O HIS A 45 -6.353 12.743 3.948 1.00 0.00 O ATOM 672 CB HIS A 45 -5.236 14.224 6.091 1.00 0.00 C ATOM 673 CG HIS A 45 -5.056 13.054 7.009 1.00 0.00 C ATOM 674 ND1 HIS A 45 -5.446 11.772 6.680 1.00 0.00 N ATOM 675 CD2 HIS A 45 -4.522 12.976 8.250 1.00 0.00 C ATOM 676 CE1 HIS A 45 -5.161 10.958 7.680 1.00 0.00 C ATOM 677 NE2 HIS A 45 -4.600 11.663 8.645 1.00 0.00 N ATOM 0 H HIS A 45 -5.520 15.696 3.894 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.468 13.836 4.935 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.871 15.124 6.587 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.300 14.371 5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.111 13.794 8.823 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.354 9.896 7.704 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.277 11.293 9.539 1.00 0.00 H new ATOM 686 N PHE A 46 -4.285 12.134 3.303 1.00 0.00 N ATOM 687 CA PHE A 46 -4.748 11.002 2.509 1.00 0.00 C ATOM 688 C PHE A 46 -4.420 9.682 3.201 1.00 0.00 C ATOM 689 O PHE A 46 -3.338 9.515 3.765 1.00 0.00 O ATOM 690 CB PHE A 46 -4.111 11.034 1.118 1.00 0.00 C ATOM 691 CG PHE A 46 -4.981 10.442 0.047 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.178 9.072 -0.027 1.00 0.00 C ATOM 693 CD2 PHE A 46 -5.602 11.255 -0.888 1.00 0.00 C ATOM 694 CE1 PHE A 46 -5.979 8.525 -1.011 1.00 0.00 C ATOM 695 CE2 PHE A 46 -6.404 10.713 -1.874 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.592 9.346 -1.937 1.00 0.00 C ATOM 0 H PHE A 46 -3.273 12.263 3.304 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.831 11.079 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.879 12.067 0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.165 10.493 1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.700 8.424 0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.457 12.324 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.126 7.456 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.884 11.358 -2.595 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.217 8.920 -2.708 1.00 0.00 H new ATOM 706 N LYS A 47 -5.362 8.747 3.155 1.00 0.00 N ATOM 707 CA LYS A 47 -5.175 7.441 3.776 1.00 0.00 C ATOM 708 C LYS A 47 -5.727 6.331 2.886 1.00 0.00 C ATOM 709 O LYS A 47 -6.728 6.517 2.193 1.00 0.00 O ATOM 710 CB LYS A 47 -5.861 7.401 5.143 1.00 0.00 C ATOM 711 CG LYS A 47 -5.801 6.040 5.814 1.00 0.00 C ATOM 712 CD LYS A 47 -7.017 5.796 6.692 1.00 0.00 C ATOM 713 CE LYS A 47 -8.146 5.141 5.912 1.00 0.00 C ATOM 714 NZ LYS A 47 -9.236 4.665 6.807 1.00 0.00 N ATOM 0 H LYS A 47 -6.264 8.869 2.694 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.105 7.279 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.395 8.139 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.905 7.693 5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.738 5.261 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.896 5.971 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.738 5.161 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.362 6.742 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.551 5.853 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.752 4.300 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.986 4.225 6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.855 3.966 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.629 5.471 7.334 1.00 0.00 H new ATOM 728 N VAL A 48 -5.069 5.177 2.911 1.00 0.00 N ATOM 729 CA VAL A 48 -5.495 4.037 2.108 1.00 0.00 C ATOM 730 C VAL A 48 -5.270 2.725 2.853 1.00 0.00 C ATOM 731 O VAL A 48 -4.227 2.523 3.475 1.00 0.00 O ATOM 732 CB VAL A 48 -4.747 3.985 0.763 1.00 0.00 C ATOM 733 CG1 VAL A 48 -5.083 2.706 0.013 1.00 0.00 C ATOM 734 CG2 VAL A 48 -5.078 5.209 -0.077 1.00 0.00 C ATOM 0 H VAL A 48 -4.239 5.007 3.479 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.560 4.166 1.917 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.675 3.988 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.545 2.688 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.790 1.845 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.155 2.667 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.541 5.156 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.151 5.239 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.780 6.110 0.459 1.00 0.00 H new ATOM 744 N VAL A 49 -6.255 1.836 2.786 1.00 0.00 N ATOM 745 CA VAL A 49 -6.164 0.542 3.452 1.00 0.00 C ATOM 746 C VAL A 49 -6.101 -0.595 2.439 1.00 0.00 C ATOM 747 O VAL A 49 -6.846 -0.609 1.458 1.00 0.00 O ATOM 748 CB VAL A 49 -7.361 0.311 4.394 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.272 -1.062 5.044 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.429 1.405 5.448 1.00 0.00 C ATOM 0 H VAL A 49 -7.126 1.988 2.277 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.246 0.552 4.039 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.277 0.349 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.126 -1.207 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.277 -1.831 4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.350 -1.132 5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.281 1.225 6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.511 1.402 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.544 2.373 4.961 1.00 0.00 H new ATOM 760 N LEU A 50 -5.208 -1.548 2.682 1.00 0.00 N ATOM 761 CA LEU A 50 -5.048 -2.691 1.791 1.00 0.00 C ATOM 762 C LEU A 50 -4.489 -3.894 2.544 1.00 0.00 C ATOM 763 O LEU A 50 -3.309 -3.927 2.895 1.00 0.00 O ATOM 764 CB LEU A 50 -4.124 -2.330 0.626 1.00 0.00 C ATOM 765 CG LEU A 50 -3.759 -3.473 -0.322 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.337 -2.928 -1.677 1.00 0.00 C ATOM 767 CD2 LEU A 50 -2.655 -4.332 0.278 1.00 0.00 C ATOM 0 H LEU A 50 -4.584 -1.552 3.489 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.030 -2.955 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.598 -1.540 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.202 -1.916 1.035 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.641 -4.098 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.081 -3.756 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.158 -2.357 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.469 -2.280 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.408 -5.140 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.770 -3.719 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.995 -4.752 1.224 1.00 0.00 H new ATOM 779 N VAL A 51 -5.343 -4.883 2.787 1.00 0.00 N ATOM 780 CA VAL A 51 -4.934 -6.090 3.495 1.00 0.00 C ATOM 781 C VAL A 51 -4.493 -7.176 2.520 1.00 0.00 C ATOM 782 O VAL A 51 -5.312 -7.750 1.802 1.00 0.00 O ATOM 783 CB VAL A 51 -6.074 -6.638 4.375 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.660 -7.946 5.031 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.477 -5.611 5.422 1.00 0.00 C ATOM 0 H VAL A 51 -6.323 -4.872 2.504 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.094 -5.814 4.132 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.938 -6.835 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.478 -8.318 5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.424 -8.680 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.782 -7.778 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.283 -6.014 6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.620 -5.381 6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.817 -4.701 4.927 1.00 0.00 H new ATOM 795 N SER A 52 -3.194 -7.454 2.501 1.00 0.00 N ATOM 796 CA SER A 52 -2.642 -8.470 1.612 1.00 0.00 C ATOM 797 C SER A 52 -1.696 -9.398 2.368 1.00 0.00 C ATOM 798 O SER A 52 -1.216 -9.065 3.452 1.00 0.00 O ATOM 799 CB SER A 52 -1.903 -7.811 0.446 1.00 0.00 C ATOM 800 OG SER A 52 -1.444 -8.780 -0.480 1.00 0.00 O ATOM 0 H SER A 52 -2.503 -6.990 3.091 1.00 0.00 H new ATOM 0 HA SER A 52 -3.469 -9.062 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.566 -7.108 -0.058 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.058 -7.237 0.825 1.00 0.00 H new ATOM 0 HG SER A 52 -0.977 -8.333 -1.216 1.00 0.00 H new ATOM 806 N ASP A 53 -1.434 -10.564 1.788 1.00 0.00 N ATOM 807 CA ASP A 53 -0.545 -11.542 2.406 1.00 0.00 C ATOM 808 C ASP A 53 0.893 -11.342 1.936 1.00 0.00 C ATOM 809 O ASP A 53 1.840 -11.590 2.682 1.00 0.00 O ATOM 810 CB ASP A 53 -1.008 -12.962 2.079 1.00 0.00 C ATOM 811 CG ASP A 53 0.089 -13.990 2.279 1.00 0.00 C ATOM 812 OD1 ASP A 53 0.204 -14.524 3.402 1.00 0.00 O ATOM 813 OD2 ASP A 53 0.831 -14.260 1.312 1.00 0.00 O ATOM 0 H ASP A 53 -1.824 -10.855 0.892 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.579 -11.397 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.860 -13.217 2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.353 -13.000 1.046 1.00 0.00 H new ATOM 818 N ARG A 54 1.047 -10.893 0.694 1.00 0.00 N ATOM 819 CA ARG A 54 2.369 -10.662 0.124 1.00 0.00 C ATOM 820 C ARG A 54 3.311 -10.061 1.162 1.00 0.00 C ATOM 821 O ARG A 54 4.524 -10.270 1.111 1.00 0.00 O ATOM 822 CB ARG A 54 2.270 -9.735 -1.089 1.00 0.00 C ATOM 823 CG ARG A 54 1.624 -10.385 -2.301 1.00 0.00 C ATOM 824 CD ARG A 54 2.537 -11.428 -2.927 1.00 0.00 C ATOM 825 NE ARG A 54 1.908 -12.096 -4.063 1.00 0.00 N ATOM 826 CZ ARG A 54 2.284 -13.286 -4.517 1.00 0.00 C ATOM 827 NH1 ARG A 54 3.281 -13.937 -3.933 1.00 0.00 N ATOM 828 NH2 ARG A 54 1.663 -13.828 -5.556 1.00 0.00 N ATOM 0 H ARG A 54 0.273 -10.682 0.064 1.00 0.00 H new ATOM 0 HA ARG A 54 2.773 -11.623 -0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.697 -8.850 -0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.270 -9.396 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.684 -10.852 -2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.383 -9.621 -3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.461 -10.951 -3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.809 -12.169 -2.176 1.00 0.00 H new ATOM 0 HE ARG A 54 1.137 -11.622 -4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.761 -13.524 -3.133 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.568 -14.851 -4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.895 -13.331 -6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.953 -14.742 -5.903 1.00 0.00 H new ATOM 842 N PHE A 55 2.746 -9.311 2.103 1.00 0.00 N ATOM 843 CA PHE A 55 3.536 -8.678 3.153 1.00 0.00 C ATOM 844 C PHE A 55 3.618 -9.572 4.386 1.00 0.00 C ATOM 845 O PHE A 55 3.584 -9.091 5.520 1.00 0.00 O ATOM 846 CB PHE A 55 2.929 -7.324 3.529 1.00 0.00 C ATOM 847 CG PHE A 55 2.569 -6.477 2.342 1.00 0.00 C ATOM 848 CD1 PHE A 55 3.548 -5.788 1.644 1.00 0.00 C ATOM 849 CD2 PHE A 55 1.252 -6.370 1.925 1.00 0.00 C ATOM 850 CE1 PHE A 55 3.220 -5.008 0.551 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.919 -5.592 0.833 1.00 0.00 C ATOM 852 CZ PHE A 55 1.903 -4.909 0.146 1.00 0.00 C ATOM 0 H PHE A 55 1.744 -9.127 2.160 1.00 0.00 H new ATOM 0 HA PHE A 55 4.545 -8.523 2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.036 -7.490 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.637 -6.778 4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.579 -5.861 1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.478 -6.900 2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.992 -4.477 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.111 -5.518 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.643 -4.299 -0.706 1.00 0.00 H new ATOM 862 N THR A 56 3.727 -10.877 4.158 1.00 0.00 N ATOM 863 CA THR A 56 3.812 -11.840 5.249 1.00 0.00 C ATOM 864 C THR A 56 5.264 -12.147 5.598 1.00 0.00 C ATOM 865 O THR A 56 5.563 -12.610 6.698 1.00 0.00 O ATOM 866 CB THR A 56 3.091 -13.154 4.896 1.00 0.00 C ATOM 867 OG1 THR A 56 3.181 -14.071 5.992 1.00 0.00 O ATOM 868 CG2 THR A 56 3.693 -13.784 3.649 1.00 0.00 C ATOM 0 H THR A 56 3.759 -11.292 3.227 1.00 0.00 H new ATOM 0 HA THR A 56 3.322 -11.387 6.111 1.00 0.00 H new ATOM 0 HB THR A 56 2.043 -12.927 4.698 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.719 -14.904 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.167 -14.711 3.420 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.596 -13.095 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.748 -13.998 3.823 1.00 0.00 H new ATOM 876 N GLY A 57 6.163 -11.887 4.653 1.00 0.00 N ATOM 877 CA GLY A 57 7.573 -12.142 4.881 1.00 0.00 C ATOM 878 C GLY A 57 8.463 -11.387 3.914 1.00 0.00 C ATOM 879 O GLY A 57 9.503 -11.893 3.493 1.00 0.00 O ATOM 0 H GLY A 57 5.940 -11.505 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.830 -11.860 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.765 -13.211 4.788 1.00 0.00 H new ATOM 883 N GLU A 58 8.053 -10.173 3.560 1.00 0.00 N ATOM 884 CA GLU A 58 8.820 -9.348 2.634 1.00 0.00 C ATOM 885 C GLU A 58 9.593 -8.265 3.382 1.00 0.00 C ATOM 886 O GLU A 58 9.404 -8.070 4.583 1.00 0.00 O ATOM 887 CB GLU A 58 7.893 -8.705 1.600 1.00 0.00 C ATOM 888 CG GLU A 58 7.608 -9.595 0.402 1.00 0.00 C ATOM 889 CD GLU A 58 7.184 -8.807 -0.822 1.00 0.00 C ATOM 890 OE1 GLU A 58 8.060 -8.189 -1.463 1.00 0.00 O ATOM 891 OE2 GLU A 58 5.976 -8.810 -1.140 1.00 0.00 O ATOM 0 H GLU A 58 7.195 -9.739 3.900 1.00 0.00 H new ATOM 0 HA GLU A 58 9.534 -9.992 2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.950 -8.445 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.341 -7.774 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.500 -10.175 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.824 -10.307 0.661 1.00 0.00 H new ATOM 898 N ARG A 59 10.465 -7.565 2.663 1.00 0.00 N ATOM 899 CA ARG A 59 11.268 -6.504 3.258 1.00 0.00 C ATOM 900 C ARG A 59 10.385 -5.354 3.732 1.00 0.00 C ATOM 901 O ARG A 59 9.319 -5.103 3.169 1.00 0.00 O ATOM 902 CB ARG A 59 12.298 -5.989 2.251 1.00 0.00 C ATOM 903 CG ARG A 59 13.246 -7.064 1.745 1.00 0.00 C ATOM 904 CD ARG A 59 14.605 -6.484 1.387 1.00 0.00 C ATOM 905 NE ARG A 59 15.428 -7.435 0.644 1.00 0.00 N ATOM 906 CZ ARG A 59 16.646 -7.158 0.194 1.00 0.00 C ATOM 907 NH1 ARG A 59 17.182 -5.965 0.412 1.00 0.00 N ATOM 908 NH2 ARG A 59 17.333 -8.076 -0.475 1.00 0.00 N ATOM 0 H ARG A 59 10.633 -7.714 1.668 1.00 0.00 H new ATOM 0 HA ARG A 59 11.789 -6.918 4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.775 -5.549 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.880 -5.192 2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.367 -7.833 2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.814 -7.549 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.468 -5.581 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.125 -6.190 2.299 1.00 0.00 H new ATOM 0 HE ARG A 59 15.046 -8.363 0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.658 -5.257 0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.118 -5.755 0.065 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.925 -8.996 -0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.269 -7.862 -0.820 1.00 0.00 H new ATOM 922 N PHE A 60 10.834 -4.659 4.771 1.00 0.00 N ATOM 923 CA PHE A 60 10.084 -3.536 5.322 1.00 0.00 C ATOM 924 C PHE A 60 9.841 -2.470 4.258 1.00 0.00 C ATOM 925 O PHE A 60 8.743 -1.922 4.151 1.00 0.00 O ATOM 926 CB PHE A 60 10.834 -2.927 6.509 1.00 0.00 C ATOM 927 CG PHE A 60 10.669 -3.702 7.784 1.00 0.00 C ATOM 928 CD1 PHE A 60 9.422 -3.833 8.375 1.00 0.00 C ATOM 929 CD2 PHE A 60 11.760 -4.301 8.393 1.00 0.00 C ATOM 930 CE1 PHE A 60 9.268 -4.545 9.549 1.00 0.00 C ATOM 931 CE2 PHE A 60 11.612 -5.015 9.567 1.00 0.00 C ATOM 932 CZ PHE A 60 10.364 -5.138 10.145 1.00 0.00 C ATOM 0 H PHE A 60 11.714 -4.853 5.249 1.00 0.00 H new ATOM 0 HA PHE A 60 9.119 -3.909 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.895 -2.866 6.265 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.483 -1.907 6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.561 -3.373 7.913 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.738 -4.209 7.945 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.291 -4.638 10.000 1.00 0.00 H new ATOM 0 HE2 PHE A 60 12.471 -5.476 10.032 1.00 0.00 H new ATOM 0 HZ PHE A 60 10.245 -5.697 11.061 1.00 0.00 H new ATOM 942 N LEU A 61 10.873 -2.180 3.474 1.00 0.00 N ATOM 943 CA LEU A 61 10.773 -1.179 2.417 1.00 0.00 C ATOM 944 C LEU A 61 9.769 -1.609 1.353 1.00 0.00 C ATOM 945 O LEU A 61 8.766 -0.934 1.123 1.00 0.00 O ATOM 946 CB LEU A 61 12.143 -0.945 1.778 1.00 0.00 C ATOM 947 CG LEU A 61 13.137 -0.125 2.601 1.00 0.00 C ATOM 948 CD1 LEU A 61 13.769 -0.984 3.685 1.00 0.00 C ATOM 949 CD2 LEU A 61 14.207 0.476 1.702 1.00 0.00 C ATOM 0 H LEU A 61 11.788 -2.623 3.550 1.00 0.00 H new ATOM 0 HA LEU A 61 10.424 -0.248 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.592 -1.915 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.994 -0.445 0.821 1.00 0.00 H new ATOM 0 HG LEU A 61 12.596 0.690 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.474 -0.384 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.991 -1.365 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.296 -1.820 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.905 1.056 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.745 -0.323 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.738 1.126 0.963 1.00 0.00 H new ATOM 961 N ASN A 62 10.046 -2.737 0.707 1.00 0.00 N ATOM 962 CA ASN A 62 9.165 -3.259 -0.332 1.00 0.00 C ATOM 963 C ASN A 62 7.701 -3.018 0.023 1.00 0.00 C ATOM 964 O ASN A 62 6.911 -2.586 -0.816 1.00 0.00 O ATOM 965 CB ASN A 62 9.413 -4.754 -0.536 1.00 0.00 C ATOM 966 CG ASN A 62 10.809 -5.045 -1.052 1.00 0.00 C ATOM 967 OD1 ASN A 62 11.649 -4.148 -1.141 1.00 0.00 O ATOM 968 ND2 ASN A 62 11.064 -6.302 -1.395 1.00 0.00 N ATOM 0 H ASN A 62 10.873 -3.307 0.884 1.00 0.00 H new ATOM 0 HA ASN A 62 9.386 -2.731 -1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.262 -5.276 0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.679 -5.148 -1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.986 -6.557 -1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.338 -7.013 -1.305 1.00 0.00 H new ATOM 975 N ARG A 63 7.348 -3.300 1.273 1.00 0.00 N ATOM 976 CA ARG A 63 5.979 -3.115 1.740 1.00 0.00 C ATOM 977 C ARG A 63 5.384 -1.825 1.181 1.00 0.00 C ATOM 978 O ARG A 63 4.311 -1.835 0.576 1.00 0.00 O ATOM 979 CB ARG A 63 5.938 -3.088 3.269 1.00 0.00 C ATOM 980 CG ARG A 63 4.557 -3.351 3.846 1.00 0.00 C ATOM 981 CD ARG A 63 4.624 -3.655 5.334 1.00 0.00 C ATOM 982 NE ARG A 63 5.071 -2.501 6.109 1.00 0.00 N ATOM 983 CZ ARG A 63 5.395 -2.561 7.396 1.00 0.00 C ATOM 984 NH1 ARG A 63 5.323 -3.712 8.049 1.00 0.00 N ATOM 985 NH2 ARG A 63 5.793 -1.466 8.033 1.00 0.00 N ATOM 0 H ARG A 63 7.991 -3.657 1.980 1.00 0.00 H new ATOM 0 HA ARG A 63 5.383 -3.955 1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.632 -3.834 3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.289 -2.116 3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.920 -2.482 3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.096 -4.189 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.641 -3.968 5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.304 -4.490 5.503 1.00 0.00 H new ATOM 0 HE ARG A 63 5.138 -1.600 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.018 -4.556 7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.573 -3.754 9.037 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.850 -0.578 7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.042 -1.513 9.021 1.00 0.00 H new ATOM 999 N HIS A 64 6.087 -0.717 1.389 1.00 0.00 N ATOM 1000 CA HIS A 64 5.628 0.581 0.907 1.00 0.00 C ATOM 1001 C HIS A 64 6.119 0.837 -0.515 1.00 0.00 C ATOM 1002 O HIS A 64 5.334 1.166 -1.404 1.00 0.00 O ATOM 1003 CB HIS A 64 6.114 1.695 1.835 1.00 0.00 C ATOM 1004 CG HIS A 64 5.306 1.825 3.088 1.00 0.00 C ATOM 1005 ND1 HIS A 64 4.873 3.038 3.582 1.00 0.00 N ATOM 1006 CD2 HIS A 64 4.849 0.886 3.949 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.187 2.839 4.694 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.157 1.541 4.938 1.00 0.00 N ATOM 0 H HIS A 64 6.976 -0.691 1.888 1.00 0.00 H new ATOM 0 HA HIS A 64 4.538 0.574 0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.154 1.507 2.101 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.089 2.642 1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.000 -0.181 3.872 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.729 3.607 5.300 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.695 1.097 5.732 1.00 0.00 H new ATOM 1017 N ARG A 65 7.423 0.684 -0.722 1.00 0.00 N ATOM 1018 CA ARG A 65 8.019 0.900 -2.035 1.00 0.00 C ATOM 1019 C ARG A 65 7.109 0.370 -3.139 1.00 0.00 C ATOM 1020 O ARG A 65 6.637 1.129 -3.985 1.00 0.00 O ATOM 1021 CB ARG A 65 9.387 0.219 -2.116 1.00 0.00 C ATOM 1022 CG ARG A 65 10.452 0.889 -1.264 1.00 0.00 C ATOM 1023 CD ARG A 65 11.848 0.620 -1.804 1.00 0.00 C ATOM 1024 NE ARG A 65 12.102 1.341 -3.048 1.00 0.00 N ATOM 1025 CZ ARG A 65 12.519 2.602 -3.094 1.00 0.00 C ATOM 1026 NH1 ARG A 65 12.729 3.276 -1.972 1.00 0.00 N ATOM 1027 NH2 ARG A 65 12.729 3.190 -4.265 1.00 0.00 N ATOM 0 H ARG A 65 8.087 0.411 0.003 1.00 0.00 H new ATOM 0 HA ARG A 65 8.146 1.973 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.285 -0.820 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.718 0.209 -3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.273 1.964 -1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.381 0.526 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.588 0.912 -1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.971 -0.450 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 65 11.951 0.850 -3.929 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.571 2.827 -1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.049 4.244 -2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.570 2.674 -5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.049 4.158 -4.300 1.00 0.00 H new ATOM 1041 N MET A 66 6.868 -0.937 -3.124 1.00 0.00 N ATOM 1042 CA MET A 66 6.013 -1.567 -4.123 1.00 0.00 C ATOM 1043 C MET A 66 4.747 -0.748 -4.351 1.00 0.00 C ATOM 1044 O MET A 66 4.459 -0.333 -5.474 1.00 0.00 O ATOM 1045 CB MET A 66 5.645 -2.987 -3.688 1.00 0.00 C ATOM 1046 CG MET A 66 6.842 -3.916 -3.570 1.00 0.00 C ATOM 1047 SD MET A 66 6.367 -5.653 -3.478 1.00 0.00 S ATOM 1048 CE MET A 66 5.397 -5.659 -1.972 1.00 0.00 C ATOM 0 H MET A 66 7.252 -1.580 -2.432 1.00 0.00 H new ATOM 0 HA MET A 66 6.567 -1.614 -5.061 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.134 -2.943 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.939 -3.406 -4.405 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.498 -3.768 -4.428 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.415 -3.653 -2.681 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.017 -6.664 -1.788 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.023 -5.349 -1.135 1.00 0.00 H new ATOM 0 HE3 MET A 66 4.561 -4.968 -2.075 1.00 0.00 H new ATOM 1058 N ILE A 67 3.995 -0.520 -3.280 1.00 0.00 N ATOM 1059 CA ILE A 67 2.760 0.250 -3.364 1.00 0.00 C ATOM 1060 C ILE A 67 2.968 1.539 -4.152 1.00 0.00 C ATOM 1061 O ILE A 67 2.213 1.843 -5.075 1.00 0.00 O ATOM 1062 CB ILE A 67 2.217 0.599 -1.965 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.948 -0.678 -1.166 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.952 1.435 -2.081 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.900 -1.572 -1.791 1.00 0.00 C ATOM 0 H ILE A 67 4.219 -0.857 -2.344 1.00 0.00 H new ATOM 0 HA ILE A 67 2.033 -0.376 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 67 2.968 1.185 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.878 -1.237 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.629 -0.407 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.581 1.673 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.174 2.358 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.193 0.873 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.761 -2.458 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.043 -1.030 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.226 -1.873 -2.787 1.00 0.00 H new ATOM 1077 N TYR A 68 3.998 2.291 -3.782 1.00 0.00 N ATOM 1078 CA TYR A 68 4.307 3.548 -4.454 1.00 0.00 C ATOM 1079 C TYR A 68 4.488 3.334 -5.954 1.00 0.00 C ATOM 1080 O TYR A 68 3.807 3.957 -6.768 1.00 0.00 O ATOM 1081 CB TYR A 68 5.571 4.171 -3.860 1.00 0.00 C ATOM 1082 CG TYR A 68 5.381 4.707 -2.459 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.252 5.444 -2.123 1.00 0.00 C ATOM 1084 CD2 TYR A 68 6.331 4.477 -1.471 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.075 5.936 -0.844 1.00 0.00 C ATOM 1086 CE2 TYR A 68 6.161 4.963 -0.190 1.00 0.00 C ATOM 1087 CZ TYR A 68 5.032 5.692 0.119 1.00 0.00 C ATOM 1088 OH TYR A 68 4.860 6.180 1.394 1.00 0.00 O ATOM 0 H TYR A 68 4.633 2.052 -3.021 1.00 0.00 H new ATOM 0 HA TYR A 68 3.469 4.228 -4.301 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.364 3.423 -3.849 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.905 4.981 -4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.500 5.636 -2.874 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.218 3.908 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.192 6.508 -0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.908 4.773 0.566 1.00 0.00 H new ATOM 0 HH TYR A 68 5.624 5.919 1.950 1.00 0.00 H new ATOM 1098 N SER A 69 5.412 2.448 -6.311 1.00 0.00 N ATOM 1099 CA SER A 69 5.686 2.152 -7.712 1.00 0.00 C ATOM 1100 C SER A 69 4.402 2.181 -8.535 1.00 0.00 C ATOM 1101 O SER A 69 4.382 2.682 -9.660 1.00 0.00 O ATOM 1102 CB SER A 69 6.360 0.785 -7.845 1.00 0.00 C ATOM 1103 OG SER A 69 6.864 0.590 -9.154 1.00 0.00 O ATOM 0 H SER A 69 5.984 1.923 -5.649 1.00 0.00 H new ATOM 0 HA SER A 69 6.359 2.919 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.173 0.705 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.644 -0.002 -7.607 1.00 0.00 H new ATOM 0 HG SER A 69 7.291 -0.290 -9.212 1.00 0.00 H new ATOM 1109 N THR A 70 3.329 1.640 -7.966 1.00 0.00 N ATOM 1110 CA THR A 70 2.041 1.602 -8.646 1.00 0.00 C ATOM 1111 C THR A 70 1.439 2.998 -8.761 1.00 0.00 C ATOM 1112 O THR A 70 0.961 3.392 -9.826 1.00 0.00 O ATOM 1113 CB THR A 70 1.045 0.685 -7.910 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.665 -0.570 -7.609 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.200 0.452 -8.753 1.00 0.00 C ATOM 0 H THR A 70 3.327 1.222 -7.036 1.00 0.00 H new ATOM 0 HA THR A 70 2.222 1.204 -9.644 1.00 0.00 H new ATOM 0 HB THR A 70 0.750 1.176 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.026 -1.146 -7.140 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.889 -0.198 -8.213 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.686 1.406 -8.956 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.081 -0.020 -9.695 1.00 0.00 H new ATOM 1123 N LEU A 71 1.465 3.741 -7.661 1.00 0.00 N ATOM 1124 CA LEU A 71 0.922 5.095 -7.639 1.00 0.00 C ATOM 1125 C LEU A 71 2.041 6.129 -7.566 1.00 0.00 C ATOM 1126 O LEU A 71 1.891 7.176 -6.937 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.025 5.267 -6.451 1.00 0.00 C ATOM 1128 CG LEU A 71 -0.929 4.074 -6.135 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.237 4.017 -4.647 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.215 4.150 -6.945 1.00 0.00 C ATOM 0 H LEU A 71 1.856 3.429 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 71 0.367 5.252 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.571 5.490 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.656 6.136 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.402 3.161 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.881 3.162 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.308 3.914 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.743 4.934 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.846 3.293 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.745 5.070 -6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.976 4.141 -8.008 1.00 0.00 H new ATOM 1142 N ALA A 72 3.161 5.829 -8.215 1.00 0.00 N ATOM 1143 CA ALA A 72 4.303 6.734 -8.226 1.00 0.00 C ATOM 1144 C ALA A 72 3.869 8.163 -8.536 1.00 0.00 C ATOM 1145 O ALA A 72 4.102 9.077 -7.746 1.00 0.00 O ATOM 1146 CB ALA A 72 5.339 6.265 -9.238 1.00 0.00 C ATOM 0 H ALA A 72 3.302 4.966 -8.740 1.00 0.00 H new ATOM 0 HA ALA A 72 4.751 6.725 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.186 6.950 -9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.681 5.265 -8.972 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.893 6.244 -10.232 1.00 0.00 H new ATOM 1152 N GLU A 73 3.237 8.347 -9.691 1.00 0.00 N ATOM 1153 CA GLU A 73 2.771 9.665 -10.105 1.00 0.00 C ATOM 1154 C GLU A 73 1.376 9.947 -9.554 1.00 0.00 C ATOM 1155 O GLU A 73 1.127 11.007 -8.981 1.00 0.00 O ATOM 1156 CB GLU A 73 2.760 9.771 -11.631 1.00 0.00 C ATOM 1157 CG GLU A 73 2.854 11.199 -12.143 1.00 0.00 C ATOM 1158 CD GLU A 73 2.330 11.346 -13.559 1.00 0.00 C ATOM 1159 OE1 GLU A 73 3.013 10.880 -14.495 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.239 11.928 -13.731 1.00 0.00 O ATOM 0 H GLU A 73 3.036 7.600 -10.356 1.00 0.00 H new ATOM 0 HA GLU A 73 3.459 10.408 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.593 9.194 -12.033 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.845 9.317 -12.012 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.291 11.856 -11.481 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.893 11.526 -12.108 1.00 0.00 H new ATOM 1167 N GLU A 74 0.471 8.991 -9.734 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.899 9.137 -9.257 1.00 0.00 C ATOM 1169 C GLU A 74 -0.938 9.922 -7.948 1.00 0.00 C ATOM 1170 O GLU A 74 -1.811 10.767 -7.744 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.544 7.763 -9.060 1.00 0.00 C ATOM 1172 CG GLU A 74 -1.636 6.946 -10.337 1.00 0.00 C ATOM 1173 CD GLU A 74 -2.143 5.538 -10.093 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.376 5.350 -10.050 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -1.305 4.623 -9.946 1.00 0.00 O ATOM 0 H GLU A 74 0.661 8.107 -10.206 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.462 9.689 -10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.970 7.204 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.545 7.896 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.299 7.450 -11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.653 6.898 -10.805 1.00 0.00 H new ATOM 1182 N LEU A 75 0.012 9.636 -7.065 1.00 0.00 N ATOM 1183 CA LEU A 75 0.087 10.313 -5.776 1.00 0.00 C ATOM 1184 C LEU A 75 0.654 11.720 -5.932 1.00 0.00 C ATOM 1185 O LEU A 75 0.003 12.705 -5.584 1.00 0.00 O ATOM 1186 CB LEU A 75 0.951 9.508 -4.803 1.00 0.00 C ATOM 1187 CG LEU A 75 0.530 8.055 -4.578 1.00 0.00 C ATOM 1188 CD1 LEU A 75 1.684 7.249 -4.001 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -0.682 7.987 -3.660 1.00 0.00 C ATOM 0 H LEU A 75 0.741 8.940 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.924 10.390 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.978 9.516 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.951 10.019 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 75 0.256 7.622 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.366 6.218 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.525 7.270 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.988 7.681 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.968 6.946 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.436 8.437 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.512 8.530 -4.112 1.00 0.00 H new ATOM 1201 N SER A 76 1.871 11.807 -6.459 1.00 0.00 N ATOM 1202 CA SER A 76 2.527 13.093 -6.661 1.00 0.00 C ATOM 1203 C SER A 76 1.572 14.096 -7.301 1.00 0.00 C ATOM 1204 O SER A 76 1.656 15.299 -7.051 1.00 0.00 O ATOM 1205 CB SER A 76 3.770 12.924 -7.537 1.00 0.00 C ATOM 1206 OG SER A 76 4.666 14.009 -7.366 1.00 0.00 O ATOM 0 H SER A 76 2.423 11.001 -6.754 1.00 0.00 H new ATOM 0 HA SER A 76 2.828 13.476 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.272 11.990 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.474 12.854 -8.584 1.00 0.00 H new ATOM 0 HG SER A 76 5.453 13.876 -7.935 1.00 0.00 H new ATOM 1212 N THR A 77 0.663 13.592 -8.130 1.00 0.00 N ATOM 1213 CA THR A 77 -0.307 14.441 -8.809 1.00 0.00 C ATOM 1214 C THR A 77 -0.817 15.541 -7.884 1.00 0.00 C ATOM 1215 O THR A 77 -0.461 16.710 -8.036 1.00 0.00 O ATOM 1216 CB THR A 77 -1.507 13.623 -9.324 1.00 0.00 C ATOM 1217 OG1 THR A 77 -1.046 12.531 -10.127 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.447 14.497 -10.140 1.00 0.00 C ATOM 0 H THR A 77 0.579 12.599 -8.347 1.00 0.00 H new ATOM 0 HA THR A 77 0.207 14.892 -9.658 1.00 0.00 H new ATOM 0 HB THR A 77 -2.052 13.236 -8.463 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.427 11.979 -9.605 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.286 13.898 -10.493 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.819 15.311 -9.518 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.911 14.909 -10.995 1.00 0.00 H new ATOM 1226 N THR A 78 -1.652 15.160 -6.922 1.00 0.00 N ATOM 1227 CA THR A 78 -2.210 16.113 -5.972 1.00 0.00 C ATOM 1228 C THR A 78 -1.830 15.751 -4.541 1.00 0.00 C ATOM 1229 O THR A 78 -1.816 16.607 -3.656 1.00 0.00 O ATOM 1230 CB THR A 78 -3.745 16.182 -6.082 1.00 0.00 C ATOM 1231 OG1 THR A 78 -4.251 17.221 -5.236 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.375 14.853 -5.693 1.00 0.00 C ATOM 0 H THR A 78 -1.957 14.197 -6.781 1.00 0.00 H new ATOM 0 HA THR A 78 -1.791 17.088 -6.220 1.00 0.00 H new ATOM 0 HB THR A 78 -4.004 16.400 -7.118 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.227 17.259 -5.313 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.459 14.926 -5.778 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.010 14.069 -6.357 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.107 14.611 -4.665 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.522 14.477 -4.320 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.139 14.002 -2.996 1.00 0.00 C ATOM 1242 C VAL A 79 0.366 14.117 -2.784 1.00 0.00 C ATOM 1243 O VAL A 79 1.153 13.895 -3.706 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.566 12.538 -2.780 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.069 12.029 -1.435 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.078 12.404 -2.884 1.00 0.00 C ATOM 0 H VAL A 79 -1.530 13.755 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.654 14.634 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.115 11.927 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.380 10.993 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.019 12.088 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.489 12.641 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.363 11.363 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.552 13.027 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.405 12.726 -3.873 1.00 0.00 H new ATOM 1256 N HIS A 80 0.762 14.465 -1.564 1.00 0.00 N ATOM 1257 CA HIS A 80 2.175 14.608 -1.230 1.00 0.00 C ATOM 1258 C HIS A 80 2.580 13.615 -0.145 1.00 0.00 C ATOM 1259 O HIS A 80 3.628 12.976 -0.236 1.00 0.00 O ATOM 1260 CB HIS A 80 2.469 16.035 -0.767 1.00 0.00 C ATOM 1261 CG HIS A 80 2.722 16.990 -1.892 1.00 0.00 C ATOM 1262 ND1 HIS A 80 1.945 18.107 -2.121 1.00 0.00 N ATOM 1263 CD2 HIS A 80 3.673 16.992 -2.855 1.00 0.00 C ATOM 1264 CE1 HIS A 80 2.407 18.753 -3.177 1.00 0.00 C ATOM 1265 NE2 HIS A 80 3.456 18.097 -3.641 1.00 0.00 N ATOM 0 H HIS A 80 0.125 14.653 -0.790 1.00 0.00 H new ATOM 0 HA HIS A 80 2.758 14.397 -2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 80 1.627 16.397 -0.176 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.338 16.023 -0.109 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.457 16.260 -2.982 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.997 19.663 -3.591 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.014 18.367 -4.451 1.00 0.00 H new ATOM 1274 N ALA A 81 1.744 13.491 0.880 1.00 0.00 N ATOM 1275 CA ALA A 81 2.015 12.575 1.981 1.00 0.00 C ATOM 1276 C ALA A 81 0.837 11.635 2.216 1.00 0.00 C ATOM 1277 O ALA A 81 -0.276 12.078 2.505 1.00 0.00 O ATOM 1278 CB ALA A 81 2.333 13.353 3.249 1.00 0.00 C ATOM 0 H ALA A 81 0.873 14.014 0.971 1.00 0.00 H new ATOM 0 HA ALA A 81 2.881 11.970 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.533 12.656 4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.210 13.978 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.483 13.983 3.512 1.00 0.00 H new ATOM 1284 N LEU A 82 1.087 10.337 2.089 1.00 0.00 N ATOM 1285 CA LEU A 82 0.047 9.334 2.287 1.00 0.00 C ATOM 1286 C LEU A 82 0.431 8.364 3.400 1.00 0.00 C ATOM 1287 O LEU A 82 1.601 8.017 3.558 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.202 8.565 0.989 1.00 0.00 C ATOM 1289 CG LEU A 82 -0.935 7.231 1.128 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.332 7.445 1.692 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.004 6.517 -0.214 1.00 0.00 C ATOM 0 H LEU A 82 2.002 9.954 1.850 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.869 9.849 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.775 9.203 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.759 8.380 0.510 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.377 6.603 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.838 6.484 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.260 7.913 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.899 8.092 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.529 5.569 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.538 7.141 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.006 6.329 -0.578 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.563 7.929 4.168 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.331 6.995 5.263 1.00 0.00 C ATOM 1305 C ALA A 83 -0.806 5.593 4.899 1.00 0.00 C ATOM 1306 O ALA A 83 -1.965 5.240 5.126 1.00 0.00 O ATOM 1307 CB ALA A 83 -1.027 7.479 6.526 1.00 0.00 C ATOM 0 H ALA A 83 -1.537 8.209 4.052 1.00 0.00 H new ATOM 0 HA ALA A 83 0.742 6.950 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.845 6.772 7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.636 8.458 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.099 7.555 6.344 1.00 0.00 H new ATOM 1313 N LEU A 84 0.093 4.796 4.332 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.235 3.431 3.936 1.00 0.00 C ATOM 1315 C LEU A 84 -0.402 2.535 5.159 1.00 0.00 C ATOM 1316 O LEU A 84 0.439 2.530 6.058 1.00 0.00 O ATOM 1317 CB LEU A 84 0.855 2.868 3.022 1.00 0.00 C ATOM 1318 CG LEU A 84 1.061 3.598 1.695 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.239 3.006 0.936 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.204 3.538 0.851 1.00 0.00 C ATOM 0 H LEU A 84 1.055 5.072 4.136 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.180 3.453 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.798 2.875 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.619 1.826 2.808 1.00 0.00 H new ATOM 0 HG LEU A 84 1.282 4.644 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.370 3.539 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.144 3.102 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.049 1.952 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.039 4.063 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.456 2.497 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.024 4.011 1.391 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.493 1.775 5.184 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.769 0.871 6.295 1.00 0.00 C ATOM 1334 C HIS A 85 -2.013 -0.549 5.793 1.00 0.00 C ATOM 1335 O HIS A 85 -3.142 -0.921 5.474 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.983 1.360 7.087 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.682 2.515 7.991 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.938 2.394 9.146 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.029 3.821 7.905 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.841 3.574 9.731 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.494 4.458 8.997 1.00 0.00 N ATOM 0 H HIS A 85 -2.199 1.767 4.448 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.897 0.861 6.949 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.769 1.650 6.390 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.374 0.535 7.683 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.617 4.277 7.123 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.317 3.781 10.652 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.586 5.452 9.208 1.00 0.00 H new ATOM 1350 N THR A 86 -0.945 -1.338 5.725 1.00 0.00 N ATOM 1351 CA THR A 86 -1.042 -2.716 5.260 1.00 0.00 C ATOM 1352 C THR A 86 -1.035 -3.693 6.430 1.00 0.00 C ATOM 1353 O THR A 86 -0.165 -3.630 7.299 1.00 0.00 O ATOM 1354 CB THR A 86 0.114 -3.069 4.304 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.363 -2.671 4.879 1.00 0.00 O ATOM 1356 CG2 THR A 86 -0.071 -2.388 2.957 1.00 0.00 C ATOM 0 H THR A 86 -0.003 -1.046 5.986 1.00 0.00 H new ATOM 0 HA THR A 86 -1.987 -2.803 4.724 1.00 0.00 H new ATOM 0 HB THR A 86 0.113 -4.148 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.330 -2.794 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.757 -2.652 2.299 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.009 -2.716 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.094 -1.307 3.096 1.00 0.00 H new ATOM 1364 N TYR A 87 -2.010 -4.596 6.446 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.117 -5.585 7.511 1.00 0.00 C ATOM 1366 C TYR A 87 -2.191 -6.997 6.938 1.00 0.00 C ATOM 1367 O TYR A 87 -2.539 -7.190 5.773 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.350 -5.308 8.372 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.139 -4.219 9.400 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.830 -2.921 9.012 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.247 -4.488 10.759 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.636 -1.923 9.947 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -3.055 -3.497 11.701 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.749 -2.216 11.290 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.556 -1.225 12.226 1.00 0.00 O ATOM 0 H TYR A 87 -2.737 -4.663 5.733 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.224 -5.510 8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.180 -5.028 7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.640 -6.226 8.882 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.740 -2.688 7.961 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.485 -5.490 11.084 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.397 -0.919 9.628 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.144 -3.723 12.753 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.673 -1.597 13.125 1.00 0.00 H new ATOM 1385 N THR A 88 -1.860 -7.983 7.766 1.00 0.00 N ATOM 1386 CA THR A 88 -1.887 -9.378 7.343 1.00 0.00 C ATOM 1387 C THR A 88 -3.187 -10.054 7.764 1.00 0.00 C ATOM 1388 O THR A 88 -3.769 -9.714 8.795 1.00 0.00 O ATOM 1389 CB THR A 88 -0.699 -10.165 7.927 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.593 -9.920 9.334 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.600 -9.774 7.239 1.00 0.00 C ATOM 0 H THR A 88 -1.570 -7.841 8.734 1.00 0.00 H new ATOM 0 HA THR A 88 -1.815 -9.381 6.255 1.00 0.00 H new ATOM 0 HB THR A 88 -0.876 -11.227 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.164 -10.425 9.698 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.425 -10.343 7.668 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.526 -9.990 6.173 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.781 -8.709 7.382 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.636 -11.014 6.962 1.00 0.00 N ATOM 1400 CA ILE A 89 -4.866 -11.739 7.253 1.00 0.00 C ATOM 1401 C ILE A 89 -4.952 -12.105 8.731 1.00 0.00 C ATOM 1402 O ILE A 89 -6.020 -12.033 9.340 1.00 0.00 O ATOM 1403 CB ILE A 89 -4.975 -13.024 6.411 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.085 -12.677 4.925 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.173 -13.849 6.857 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -3.746 -12.585 4.226 1.00 0.00 C ATOM 0 H ILE A 89 -3.166 -11.307 6.106 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.691 -11.075 6.997 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.073 -13.617 6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.694 -13.432 4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.607 -11.726 4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.237 -14.754 6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.057 -14.121 7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.084 -13.264 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.900 -12.336 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.142 -11.810 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.230 -13.543 4.300 1.00 0.00 H new ATOM 1418 N LYS A 90 -3.818 -12.496 9.305 1.00 0.00 N ATOM 1419 CA LYS A 90 -3.763 -12.870 10.713 1.00 0.00 C ATOM 1420 C LYS A 90 -4.018 -11.662 11.608 1.00 0.00 C ATOM 1421 O LYS A 90 -4.956 -11.656 12.404 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.401 -13.485 11.044 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.187 -14.857 10.429 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.967 -15.929 11.172 1.00 0.00 C ATOM 1425 CE LYS A 90 -2.262 -16.342 12.455 1.00 0.00 C ATOM 1426 NZ LYS A 90 -0.949 -16.990 12.184 1.00 0.00 N ATOM 0 H LYS A 90 -2.925 -12.562 8.816 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.544 -13.608 10.898 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.615 -12.814 10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.300 -13.562 12.127 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.495 -14.840 9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.125 -15.102 10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.965 -15.558 11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.094 -16.800 10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.111 -15.465 13.084 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.898 -17.029 13.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.684 -17.589 12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.021 -17.576 11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.223 -16.258 12.043 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.178 -10.641 11.470 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.315 -9.427 12.266 1.00 0.00 C ATOM 1442 C GLU A 91 -4.742 -8.891 12.200 1.00 0.00 C ATOM 1443 O GLU A 91 -5.335 -8.545 13.223 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.334 -8.358 11.781 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.975 -8.427 12.456 1.00 0.00 C ATOM 1446 CD GLU A 91 -1.005 -7.910 13.882 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -0.975 -6.676 14.066 1.00 0.00 O ATOM 1448 OE2 GLU A 91 -1.059 -8.741 14.812 1.00 0.00 O ATOM 0 H GLU A 91 -2.396 -10.630 10.815 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.086 -9.676 13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.201 -8.461 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.767 -7.373 11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.625 -9.459 12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.256 -7.846 11.878 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.287 -8.824 10.991 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.644 -8.330 10.791 1.00 0.00 C ATOM 1457 C TRP A 92 -7.668 -9.300 11.369 1.00 0.00 C ATOM 1458 O TRP A 92 -8.623 -8.889 12.027 1.00 0.00 O ATOM 1459 CB TRP A 92 -6.915 -8.111 9.301 1.00 0.00 C ATOM 1460 CG TRP A 92 -7.932 -7.043 9.033 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.052 -7.154 8.260 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -7.919 -5.702 9.534 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.737 -5.963 8.252 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.063 -5.056 9.026 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.054 -4.985 10.365 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.361 -3.728 9.322 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.350 -3.667 10.657 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.496 -3.050 10.137 1.00 0.00 C ATOM 0 H TRP A 92 -4.810 -9.106 10.134 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.738 -7.378 11.314 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.981 -7.847 8.804 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.257 -9.047 8.860 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.355 -8.046 7.733 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.607 -5.783 7.751 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.170 -5.453 10.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.243 -3.250 8.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.687 -3.103 11.297 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.700 -2.019 10.385 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.463 -10.590 11.118 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.370 -11.618 11.614 1.00 0.00 C ATOM 1481 C GLU A 93 -8.798 -11.320 13.048 1.00 0.00 C ATOM 1482 O GLU A 93 -9.960 -11.499 13.410 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.704 -12.994 11.545 1.00 0.00 C ATOM 1484 CG GLU A 93 -7.947 -13.722 10.233 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.224 -14.539 10.248 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -9.232 -15.616 10.880 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -10.216 -14.102 9.628 1.00 0.00 O ATOM 0 H GLU A 93 -6.677 -10.947 10.574 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.257 -11.619 10.981 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.630 -12.877 11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.073 -13.609 12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.994 -12.995 9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.102 -14.378 10.024 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.850 -10.863 13.860 1.00 0.00 N ATOM 1495 CA GLY A 94 -8.147 -10.548 15.245 1.00 0.00 C ATOM 1496 C GLY A 94 -7.293 -9.415 15.778 1.00 0.00 C ATOM 1497 O GLY A 94 -6.613 -9.564 16.794 1.00 0.00 O ATOM 0 H GLY A 94 -6.881 -10.705 13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.199 -10.279 15.336 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.991 -11.436 15.858 1.00 0.00 H new ATOM 1501 N LEU A 95 -7.326 -8.278 15.091 1.00 0.00 N ATOM 1502 CA LEU A 95 -6.547 -7.114 15.501 1.00 0.00 C ATOM 1503 C LEU A 95 -7.075 -6.539 16.811 1.00 0.00 C ATOM 1504 O LEU A 95 -6.320 -6.346 17.763 1.00 0.00 O ATOM 1505 CB LEU A 95 -6.583 -6.043 14.409 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.401 -5.073 14.382 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -5.286 -4.335 15.707 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -4.109 -5.814 14.069 1.00 0.00 C ATOM 0 H LEU A 95 -7.883 -8.137 14.248 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.516 -7.433 15.656 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.641 -6.541 13.441 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.500 -5.465 14.525 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.576 -4.340 13.595 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.440 -3.649 15.669 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.201 -3.772 15.891 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.135 -5.054 16.512 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.279 -5.108 14.054 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.929 -6.570 14.833 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.193 -6.296 13.095 1.00 0.00 H new ATOM 1520 N GLN A 96 -8.376 -6.270 16.852 1.00 0.00 N ATOM 1521 CA GLN A 96 -9.005 -5.719 18.046 1.00 0.00 C ATOM 1522 C GLN A 96 -9.463 -6.832 18.983 1.00 0.00 C ATOM 1523 O GLN A 96 -10.546 -6.761 19.564 1.00 0.00 O ATOM 1524 CB GLN A 96 -10.194 -4.838 17.662 1.00 0.00 C ATOM 1525 CG GLN A 96 -10.513 -3.764 18.689 1.00 0.00 C ATOM 1526 CD GLN A 96 -11.701 -2.910 18.291 1.00 0.00 C ATOM 1527 OE1 GLN A 96 -12.853 -3.310 18.461 1.00 0.00 O ATOM 1528 NE2 GLN A 96 -11.426 -1.725 17.759 1.00 0.00 N ATOM 0 H GLN A 96 -9.015 -6.425 16.072 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.266 -5.111 18.567 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.988 -4.362 16.703 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.072 -5.468 17.523 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.715 -4.235 19.651 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.640 -3.125 18.824 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.456 -1.434 17.636 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.185 -1.106 17.473 1.00 0.00 H new ATOM 1537 N ASP A 97 -8.633 -7.859 19.124 1.00 0.00 N ATOM 1538 CA ASP A 97 -8.953 -8.987 19.991 1.00 0.00 C ATOM 1539 C ASP A 97 -7.698 -9.786 20.328 1.00 0.00 C ATOM 1540 O ASP A 97 -7.040 -10.334 19.443 1.00 0.00 O ATOM 1541 CB ASP A 97 -9.986 -9.895 19.322 1.00 0.00 C ATOM 1542 CG ASP A 97 -10.196 -11.191 20.081 1.00 0.00 C ATOM 1543 OD1 ASP A 97 -10.485 -11.128 21.294 1.00 0.00 O ATOM 1544 OD2 ASP A 97 -10.072 -12.268 19.461 1.00 0.00 O ATOM 0 H ASP A 97 -7.733 -7.934 18.649 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.372 -8.594 20.917 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.935 -9.365 19.244 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.663 -10.121 18.306 1.00 0.00 H new ATOM 1549 N THR A 98 -7.370 -9.848 21.615 1.00 0.00 N ATOM 1550 CA THR A 98 -6.193 -10.577 22.070 1.00 0.00 C ATOM 1551 C THR A 98 -6.583 -11.751 22.960 1.00 0.00 C ATOM 1552 O THR A 98 -7.023 -11.564 24.095 1.00 0.00 O ATOM 1553 CB THR A 98 -5.228 -9.660 22.844 1.00 0.00 C ATOM 1554 OG1 THR A 98 -5.935 -8.967 23.880 1.00 0.00 O ATOM 1555 CG2 THR A 98 -4.572 -8.653 21.911 1.00 0.00 C ATOM 0 H THR A 98 -7.904 -9.402 22.361 1.00 0.00 H new ATOM 0 HA THR A 98 -5.690 -10.952 21.178 1.00 0.00 H new ATOM 0 HB THR A 98 -4.450 -10.281 23.288 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.620 -9.556 24.259 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.895 -8.017 22.481 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.011 -9.182 21.141 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.340 -8.038 21.442 1.00 0.00 H new ATOM 1563 N VAL A 99 -6.419 -12.963 22.439 1.00 0.00 N ATOM 1564 CA VAL A 99 -6.753 -14.169 23.187 1.00 0.00 C ATOM 1565 C VAL A 99 -5.788 -14.381 24.348 1.00 0.00 C ATOM 1566 O VAL A 99 -4.607 -14.044 24.256 1.00 0.00 O ATOM 1567 CB VAL A 99 -6.733 -15.415 22.282 1.00 0.00 C ATOM 1568 CG1 VAL A 99 -7.774 -15.293 21.181 1.00 0.00 C ATOM 1569 CG2 VAL A 99 -5.345 -15.623 21.695 1.00 0.00 C ATOM 0 H VAL A 99 -6.057 -13.136 21.501 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.761 -14.030 23.578 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.982 -16.287 22.887 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.744 -16.183 20.552 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.764 -15.196 21.626 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.561 -14.413 20.574 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.348 -16.508 21.058 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.066 -14.751 21.104 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.625 -15.760 22.502 1.00 0.00 H new ATOM 1579 N PHE A 100 -6.297 -14.941 25.440 1.00 0.00 N ATOM 1580 CA PHE A 100 -5.479 -15.198 26.619 1.00 0.00 C ATOM 1581 C PHE A 100 -5.240 -16.694 26.800 1.00 0.00 C ATOM 1582 O PHE A 100 -5.958 -17.521 26.238 1.00 0.00 O ATOM 1583 CB PHE A 100 -6.153 -14.624 27.867 1.00 0.00 C ATOM 1584 CG PHE A 100 -7.635 -14.862 27.913 1.00 0.00 C ATOM 1585 CD1 PHE A 100 -8.139 -16.121 28.196 1.00 0.00 C ATOM 1586 CD2 PHE A 100 -8.524 -13.828 27.671 1.00 0.00 C ATOM 1587 CE1 PHE A 100 -9.502 -16.344 28.239 1.00 0.00 C ATOM 1588 CE2 PHE A 100 -9.888 -14.045 27.713 1.00 0.00 C ATOM 1589 CZ PHE A 100 -10.378 -15.305 27.996 1.00 0.00 C ATOM 0 H PHE A 100 -7.272 -15.226 25.533 1.00 0.00 H new ATOM 0 HA PHE A 100 -4.516 -14.709 26.476 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.695 -15.065 28.752 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -5.964 -13.551 27.911 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.458 -16.938 28.385 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.147 -12.841 27.447 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -9.882 -17.330 28.462 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -10.571 -13.230 27.525 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.444 -15.477 28.027 1.00 0.00 H new ATOM 1599 N ALA A 101 -4.225 -17.034 27.588 1.00 0.00 N ATOM 1600 CA ALA A 101 -3.891 -18.430 27.844 1.00 0.00 C ATOM 1601 C ALA A 101 -3.096 -18.575 29.137 1.00 0.00 C ATOM 1602 O ALA A 101 -2.635 -17.587 29.708 1.00 0.00 O ATOM 1603 CB ALA A 101 -3.110 -19.009 26.674 1.00 0.00 C ATOM 0 H ALA A 101 -3.620 -16.362 28.060 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.822 -18.986 27.956 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.867 -20.052 26.879 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.713 -18.948 25.768 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.189 -18.443 26.535 1.00 0.00 H new ATOM 1609 N SER A 102 -2.942 -19.814 29.595 1.00 0.00 N ATOM 1610 CA SER A 102 -2.206 -20.088 30.824 1.00 0.00 C ATOM 1611 C SER A 102 -1.610 -21.492 30.799 1.00 0.00 C ATOM 1612 O SER A 102 -2.210 -22.440 30.290 1.00 0.00 O ATOM 1613 CB SER A 102 -3.124 -19.933 32.038 1.00 0.00 C ATOM 1614 OG SER A 102 -4.274 -20.752 31.916 1.00 0.00 O ATOM 0 H SER A 102 -3.317 -20.643 29.134 1.00 0.00 H new ATOM 0 HA SER A 102 -1.391 -19.368 30.899 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.580 -20.197 32.945 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.425 -18.890 32.139 1.00 0.00 H new ATOM 0 HG SER A 102 -4.843 -20.636 32.705 1.00 0.00 H new ATOM 1620 N PRO A 103 -0.400 -21.631 31.361 1.00 0.00 N ATOM 1621 CA PRO A 103 0.304 -22.915 31.417 1.00 0.00 C ATOM 1622 C PRO A 103 -0.361 -23.900 32.372 1.00 0.00 C ATOM 1623 O PRO A 103 -0.836 -23.535 33.448 1.00 0.00 O ATOM 1624 CB PRO A 103 1.697 -22.534 31.926 1.00 0.00 C ATOM 1625 CG PRO A 103 1.489 -21.269 32.686 1.00 0.00 C ATOM 1626 CD PRO A 103 0.372 -20.544 31.987 1.00 0.00 C ATOM 0 HA PRO A 103 0.311 -23.418 30.450 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.113 -23.315 32.563 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.395 -22.390 31.101 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.230 -21.476 33.724 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.398 -20.667 32.698 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.236 -19.971 32.687 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.751 -19.841 31.245 1.00 0.00 H new ATOM 1634 N PRO A 104 -0.397 -25.180 31.973 1.00 0.00 N ATOM 1635 CA PRO A 104 -1.001 -26.244 32.780 1.00 0.00 C ATOM 1636 C PRO A 104 -0.187 -26.555 34.032 1.00 0.00 C ATOM 1637 O PRO A 104 0.910 -26.027 34.218 1.00 0.00 O ATOM 1638 CB PRO A 104 -1.007 -27.447 31.834 1.00 0.00 C ATOM 1639 CG PRO A 104 0.101 -27.180 30.874 1.00 0.00 C ATOM 1640 CD PRO A 104 0.150 -25.687 30.703 1.00 0.00 C ATOM 0 HA PRO A 104 -1.990 -25.967 33.145 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -0.845 -28.378 32.377 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -1.963 -27.541 31.319 1.00 0.00 H new ATOM 0 HG2 PRO A 104 1.048 -27.560 31.256 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.081 -27.676 29.921 1.00 0.00 H new ATOM 0 HD2 PRO A 104 1.168 -25.335 30.535 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -0.445 -25.360 29.850 1.00 0.00 H new ATOM 1648 N CYS A 105 -0.730 -27.415 34.886 1.00 0.00 N ATOM 1649 CA CYS A 105 -0.054 -27.796 36.121 1.00 0.00 C ATOM 1650 C CYS A 105 0.081 -29.312 36.222 1.00 0.00 C ATOM 1651 O CYS A 105 -0.465 -30.049 35.401 1.00 0.00 O ATOM 1652 CB CYS A 105 -0.818 -27.259 37.332 1.00 0.00 C ATOM 1653 SG CYS A 105 -0.346 -25.583 37.819 1.00 0.00 S ATOM 0 H CYS A 105 -1.636 -27.862 34.746 1.00 0.00 H new ATOM 0 HA CYS A 105 0.945 -27.360 36.108 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.885 -27.275 37.111 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -0.658 -27.930 38.176 1.00 0.00 H new ATOM 0 HG CYS A 105 -1.048 -25.217 38.850 1.00 0.00 H new ATOM 1659 N ARG A 106 0.814 -29.770 37.232 1.00 0.00 N ATOM 1660 CA ARG A 106 1.024 -31.198 37.437 1.00 0.00 C ATOM 1661 C ARG A 106 -0.308 -31.926 37.596 1.00 0.00 C ATOM 1662 O ARG A 106 -1.370 -31.305 37.601 1.00 0.00 O ATOM 1663 CB ARG A 106 1.896 -31.434 38.671 1.00 0.00 C ATOM 1664 CG ARG A 106 1.165 -31.213 39.986 1.00 0.00 C ATOM 1665 CD ARG A 106 1.823 -31.977 41.124 1.00 0.00 C ATOM 1666 NE ARG A 106 1.676 -33.422 40.971 1.00 0.00 N ATOM 1667 CZ ARG A 106 2.511 -34.306 41.505 1.00 0.00 C ATOM 1668 NH1 ARG A 106 3.548 -33.895 42.222 1.00 0.00 N ATOM 1669 NH2 ARG A 106 2.310 -35.605 41.321 1.00 0.00 N ATOM 0 H ARG A 106 1.272 -29.173 37.921 1.00 0.00 H new ATOM 0 HA ARG A 106 1.533 -31.595 36.559 1.00 0.00 H new ATOM 0 HB2 ARG A 106 2.279 -32.454 38.645 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.758 -30.769 38.628 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.151 -30.149 40.221 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.127 -31.531 39.885 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.882 -31.723 41.166 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.383 -31.666 42.071 1.00 0.00 H new ATOM 0 HE ARG A 106 0.889 -33.771 40.424 1.00 0.00 H new ATOM 0 HH11 ARG A 106 3.706 -32.897 42.365 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.188 -34.576 42.631 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.514 -35.925 40.769 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.952 -36.283 41.731 1.00 0.00 H new ATOM 1683 N GLY A 107 -0.243 -33.248 37.724 1.00 0.00 N ATOM 1684 CA GLY A 107 -1.449 -34.038 37.880 1.00 0.00 C ATOM 1685 C GLY A 107 -1.157 -35.470 38.283 1.00 0.00 C ATOM 1686 O GLY A 107 -0.355 -36.150 37.643 1.00 0.00 O ATOM 0 H GLY A 107 0.624 -33.785 37.722 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.088 -33.575 38.632 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.006 -34.034 36.943 1.00 0.00 H new TER 1690 GLY A 107