USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 497 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 25 CYS SG : rot -93:sc= 0.982 USER MOD Set 1.2: A 27 CYS SG : rot -167:sc= -0.551! USER MOD Set 1.3: A 47 CYS SG : rot -172:sc= 0.2 USER MOD Set 1.4: A 50 CYS SG : rot -146:sc= 0.392 USER MOD Set 2.1: A 20 MET CE :methyl 154:sc= 0 (180deg=-0.356) USER MOD Set 2.2: A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 THR OG1 : rot -179:sc= 1.29 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -113:sc= -0.722 (180deg=-2.95!) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00885 USER MOD Single : A 18 ASN : amide:sc= 1.14 K(o=1.1,f=-0.84) USER MOD Single : A 19 GLN : amide:sc= 0.453 K(o=0.45,f=-0.087) USER MOD Single : A 22 THR OG1 : rot -148:sc= 0.939 USER MOD Single : A 23 TYR OH : rot 23:sc= 1.32 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 147:sc= -2.94! (180deg=-4.67!) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 2.36 (180deg=2.22) USER MOD Single : A 49 SER OG : rot 120:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -140:sc= -0.312 (180deg=-1.3!) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0896) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -147:sc= 0.378 USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 -8.835 10.168 -14.458 1.00 0.00 N ATOM 30 CA THR A 3 -7.512 9.921 -14.999 1.00 0.00 C ATOM 31 C THR A 3 -6.444 10.229 -13.954 1.00 0.00 C ATOM 32 O THR A 3 -6.272 11.373 -13.531 1.00 0.00 O ATOM 33 CB THR A 3 -7.266 10.746 -16.276 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.663 12.105 -16.079 1.00 0.00 O ATOM 35 CG2 THR A 3 -8.030 10.156 -17.454 1.00 0.00 C ATOM 0 HA THR A 3 -7.451 8.866 -15.265 1.00 0.00 H new ATOM 0 HB THR A 3 -6.199 10.715 -16.496 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.511 12.613 -16.903 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.842 10.754 -18.346 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.698 9.132 -17.627 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.097 10.159 -17.233 1.00 0.00 H new ATOM 43 N TYR A 4 -5.740 9.193 -13.530 1.00 0.00 N ATOM 44 CA TYR A 4 -4.785 9.312 -12.436 1.00 0.00 C ATOM 45 C TYR A 4 -3.439 9.837 -12.935 1.00 0.00 C ATOM 46 O TYR A 4 -2.642 10.370 -12.160 1.00 0.00 O ATOM 47 CB TYR A 4 -4.614 7.949 -11.761 1.00 0.00 C ATOM 48 CG TYR A 4 -4.018 8.010 -10.372 1.00 0.00 C ATOM 49 CD1 TYR A 4 -4.831 8.152 -9.256 1.00 0.00 C ATOM 50 CD2 TYR A 4 -2.649 7.916 -10.176 1.00 0.00 C ATOM 51 CE1 TYR A 4 -4.295 8.201 -7.983 1.00 0.00 C ATOM 52 CE2 TYR A 4 -2.104 7.962 -8.908 1.00 0.00 C ATOM 53 CZ TYR A 4 -2.929 8.104 -7.815 1.00 0.00 C ATOM 54 OH TYR A 4 -2.383 8.149 -6.551 1.00 0.00 O ATOM 0 H TYR A 4 -5.811 8.256 -13.927 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.169 10.029 -11.710 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.587 7.460 -11.705 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.979 7.324 -12.388 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.901 8.225 -9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.997 7.805 -11.030 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.941 8.314 -7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.035 7.887 -8.774 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.408 8.066 -6.612 1.00 0.00 H new ATOM 64 N ASP A 5 -3.192 9.695 -14.233 1.00 0.00 N ATOM 65 CA ASP A 5 -1.925 10.125 -14.814 1.00 0.00 C ATOM 66 C ASP A 5 -2.152 10.937 -16.075 1.00 0.00 C ATOM 67 O ASP A 5 -3.235 10.914 -16.662 1.00 0.00 O ATOM 68 CB ASP A 5 -1.032 8.927 -15.163 1.00 0.00 C ATOM 69 CG ASP A 5 -0.625 8.103 -13.961 1.00 0.00 C ATOM 70 OD1 ASP A 5 0.334 8.493 -13.255 1.00 0.00 O ATOM 71 OD2 ASP A 5 -1.249 7.052 -13.726 1.00 0.00 O ATOM 0 H ASP A 5 -3.848 9.288 -14.899 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.429 10.739 -14.063 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.558 8.286 -15.871 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.135 9.288 -15.666 1.00 0.00 H new ATOM 76 N GLU A 6 -1.118 11.658 -16.469 1.00 0.00 N ATOM 77 CA GLU A 6 -1.084 12.351 -17.745 1.00 0.00 C ATOM 78 C GLU A 6 0.352 12.360 -18.257 1.00 0.00 C ATOM 79 O GLU A 6 1.213 13.041 -17.698 1.00 0.00 O ATOM 80 CB GLU A 6 -1.626 13.779 -17.604 1.00 0.00 C ATOM 81 CG GLU A 6 -1.589 14.583 -18.897 1.00 0.00 C ATOM 82 CD GLU A 6 -2.348 15.893 -18.804 1.00 0.00 C ATOM 83 OE1 GLU A 6 -2.041 16.706 -17.904 1.00 0.00 O ATOM 84 OE2 GLU A 6 -3.267 16.112 -19.620 1.00 0.00 O ATOM 0 H GLU A 6 -0.274 11.780 -15.910 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.722 11.832 -18.461 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.654 13.733 -17.245 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.047 14.304 -16.844 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.552 14.789 -19.160 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.010 13.983 -19.704 1.00 0.00 H new ATOM 91 N ILE A 7 0.611 11.578 -19.296 1.00 0.00 N ATOM 92 CA ILE A 7 1.966 11.423 -19.815 1.00 0.00 C ATOM 93 C ILE A 7 2.041 11.945 -21.242 1.00 0.00 C ATOM 94 O ILE A 7 1.032 11.999 -21.939 1.00 0.00 O ATOM 95 CB ILE A 7 2.439 9.942 -19.811 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.860 9.168 -18.624 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.958 9.860 -19.786 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.573 8.450 -18.950 1.00 0.00 C ATOM 0 H ILE A 7 -0.097 11.041 -19.797 1.00 0.00 H new ATOM 0 HA ILE A 7 2.619 11.995 -19.156 1.00 0.00 H new ATOM 0 HB ILE A 7 2.071 9.485 -20.730 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.596 8.442 -18.279 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.684 9.859 -17.800 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.266 8.814 -19.784 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.364 10.356 -20.668 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.334 10.351 -18.889 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.217 7.922 -18.066 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.178 9.174 -19.267 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.749 7.735 -19.753 1.00 0.00 H new ATOM 110 N GLU A 8 3.237 12.332 -21.664 1.00 0.00 N ATOM 111 CA GLU A 8 3.460 12.791 -23.026 1.00 0.00 C ATOM 112 C GLU A 8 3.229 11.654 -24.014 1.00 0.00 C ATOM 113 O GLU A 8 3.546 10.497 -23.730 1.00 0.00 O ATOM 114 CB GLU A 8 4.888 13.330 -23.203 1.00 0.00 C ATOM 115 CG GLU A 8 5.209 14.577 -22.387 1.00 0.00 C ATOM 116 CD GLU A 8 5.286 14.313 -20.895 1.00 0.00 C ATOM 117 OE1 GLU A 8 5.603 13.175 -20.502 1.00 0.00 O ATOM 118 OE2 GLU A 8 5.025 15.245 -20.110 1.00 0.00 O ATOM 0 H GLU A 8 4.072 12.337 -21.078 1.00 0.00 H new ATOM 0 HA GLU A 8 2.752 13.597 -23.222 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.593 12.545 -22.932 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.049 13.552 -24.258 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.159 14.990 -22.726 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.447 15.333 -22.577 1.00 0.00 H new ATOM 125 N ILE A 9 2.686 11.995 -25.174 1.00 0.00 N ATOM 126 CA ILE A 9 2.480 11.037 -26.258 1.00 0.00 C ATOM 127 C ILE A 9 3.811 10.393 -26.652 1.00 0.00 C ATOM 128 O ILE A 9 3.864 9.244 -27.085 1.00 0.00 O ATOM 129 CB ILE A 9 1.836 11.729 -27.487 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.573 10.723 -28.609 1.00 0.00 C ATOM 131 CG2 ILE A 9 2.712 12.870 -27.989 1.00 0.00 C ATOM 132 CD1 ILE A 9 0.867 11.322 -29.809 1.00 0.00 C ATOM 0 H ILE A 9 2.375 12.942 -25.393 1.00 0.00 H new ATOM 0 HA ILE A 9 1.801 10.260 -25.906 1.00 0.00 H new ATOM 0 HB ILE A 9 0.879 12.144 -27.171 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.522 10.296 -28.932 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.972 9.903 -28.217 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.239 13.340 -28.851 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.837 13.608 -27.197 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.688 12.479 -28.278 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.714 10.551 -30.564 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.098 11.724 -29.500 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.476 12.123 -30.227 1.00 0.00 H new ATOM 144 N GLU A 10 4.877 11.155 -26.462 1.00 0.00 N ATOM 145 CA GLU A 10 6.234 10.723 -26.773 1.00 0.00 C ATOM 146 C GLU A 10 6.674 9.542 -25.898 1.00 0.00 C ATOM 147 O GLU A 10 7.496 8.721 -26.311 1.00 0.00 O ATOM 148 CB GLU A 10 7.171 11.911 -26.564 1.00 0.00 C ATOM 149 CG GLU A 10 8.623 11.639 -26.910 1.00 0.00 C ATOM 150 CD GLU A 10 9.508 12.825 -26.608 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.667 13.697 -27.488 1.00 0.00 O ATOM 152 OE2 GLU A 10 10.050 12.899 -25.481 1.00 0.00 O ATOM 0 H GLU A 10 4.826 12.101 -26.084 1.00 0.00 H new ATOM 0 HA GLU A 10 6.269 10.381 -27.807 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.818 12.746 -27.168 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.112 12.224 -25.522 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.973 10.773 -26.349 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.703 11.387 -27.967 1.00 0.00 H new ATOM 159 N ASP A 11 6.124 9.460 -24.688 1.00 0.00 N ATOM 160 CA ASP A 11 6.534 8.430 -23.732 1.00 0.00 C ATOM 161 C ASP A 11 5.824 7.115 -24.018 1.00 0.00 C ATOM 162 O ASP A 11 6.376 6.039 -23.779 1.00 0.00 O ATOM 163 CB ASP A 11 6.244 8.875 -22.294 1.00 0.00 C ATOM 164 CG ASP A 11 6.741 7.878 -21.258 1.00 0.00 C ATOM 165 OD1 ASP A 11 7.932 7.949 -20.878 1.00 0.00 O ATOM 166 OD2 ASP A 11 5.950 7.022 -20.809 1.00 0.00 O ATOM 0 H ASP A 11 5.398 10.090 -24.347 1.00 0.00 H new ATOM 0 HA ASP A 11 7.608 8.281 -23.843 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.714 9.842 -22.116 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.170 9.015 -22.171 1.00 0.00 H new ATOM 171 N MET A 12 4.602 7.208 -24.535 1.00 0.00 N ATOM 172 CA MET A 12 3.819 6.022 -24.869 1.00 0.00 C ATOM 173 C MET A 12 4.431 5.277 -26.053 1.00 0.00 C ATOM 174 O MET A 12 5.214 5.839 -26.817 1.00 0.00 O ATOM 175 CB MET A 12 2.371 6.403 -25.194 1.00 0.00 C ATOM 176 CG MET A 12 1.621 7.017 -24.023 1.00 0.00 C ATOM 177 SD MET A 12 -0.093 7.410 -24.419 1.00 0.00 S ATOM 178 CE MET A 12 -0.728 5.796 -24.858 1.00 0.00 C ATOM 0 H MET A 12 4.133 8.092 -24.732 1.00 0.00 H new ATOM 0 HA MET A 12 3.828 5.365 -23.999 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.368 7.108 -26.025 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.837 5.514 -25.529 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.645 6.326 -23.180 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.133 7.925 -23.706 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.975 5.779 -25.919 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.027 5.039 -24.649 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.624 5.586 -24.273 1.00 0.00 H new ATOM 188 N THR A 13 4.064 4.010 -26.203 1.00 0.00 N ATOM 189 CA THR A 13 4.570 3.187 -27.287 1.00 0.00 C ATOM 190 C THR A 13 3.730 3.392 -28.547 1.00 0.00 C ATOM 191 O THR A 13 2.557 3.005 -28.602 1.00 0.00 O ATOM 192 CB THR A 13 4.561 1.698 -26.896 1.00 0.00 C ATOM 193 OG1 THR A 13 5.209 1.521 -25.624 1.00 0.00 O ATOM 194 CG2 THR A 13 5.265 0.854 -27.952 1.00 0.00 C ATOM 0 H THR A 13 3.413 3.530 -25.581 1.00 0.00 H new ATOM 0 HA THR A 13 5.598 3.490 -27.487 1.00 0.00 H new ATOM 0 HB THR A 13 3.524 1.370 -26.825 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.198 0.572 -25.381 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.245 -0.194 -27.653 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.755 0.968 -28.908 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.299 1.184 -28.051 1.00 0.00 H new ATOM 202 N PHE A 14 4.333 4.019 -29.542 1.00 0.00 N ATOM 203 CA PHE A 14 3.651 4.327 -30.788 1.00 0.00 C ATOM 204 C PHE A 14 3.479 3.083 -31.655 1.00 0.00 C ATOM 205 O PHE A 14 4.375 2.245 -31.748 1.00 0.00 O ATOM 206 CB PHE A 14 4.417 5.412 -31.560 1.00 0.00 C ATOM 207 CG PHE A 14 5.881 5.120 -31.769 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.819 5.507 -30.824 1.00 0.00 C ATOM 209 CD2 PHE A 14 6.316 4.467 -32.910 1.00 0.00 C ATOM 210 CE1 PHE A 14 8.162 5.244 -31.015 1.00 0.00 C ATOM 211 CE2 PHE A 14 7.658 4.203 -33.107 1.00 0.00 C ATOM 212 CZ PHE A 14 8.582 4.591 -32.159 1.00 0.00 C ATOM 0 H PHE A 14 5.305 4.328 -29.510 1.00 0.00 H new ATOM 0 HA PHE A 14 2.657 4.700 -30.540 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.945 5.548 -32.533 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.321 6.356 -31.024 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.497 6.019 -29.930 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.597 4.160 -33.655 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.883 5.548 -30.271 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.983 3.694 -34.002 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.631 4.385 -32.310 1.00 0.00 H new ATOM 222 N GLU A 15 2.311 2.962 -32.270 1.00 0.00 N ATOM 223 CA GLU A 15 2.055 1.901 -33.234 1.00 0.00 C ATOM 224 C GLU A 15 1.547 2.494 -34.542 1.00 0.00 C ATOM 225 O GLU A 15 0.338 2.594 -34.759 1.00 0.00 O ATOM 226 CB GLU A 15 1.040 0.888 -32.695 1.00 0.00 C ATOM 227 CG GLU A 15 1.535 0.096 -31.496 1.00 0.00 C ATOM 228 CD GLU A 15 0.617 -1.061 -31.156 1.00 0.00 C ATOM 229 OE1 GLU A 15 -0.032 -1.599 -32.076 1.00 0.00 O ATOM 230 OE2 GLU A 15 0.543 -1.437 -29.964 1.00 0.00 O ATOM 0 H GLU A 15 1.521 3.589 -32.117 1.00 0.00 H new ATOM 0 HA GLU A 15 2.995 1.378 -33.412 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.128 1.416 -32.417 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.776 0.193 -33.493 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.535 -0.285 -31.702 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.617 0.758 -30.634 1.00 0.00 H new ATOM 237 N PRO A 16 2.464 2.911 -35.430 1.00 0.00 N ATOM 238 CA PRO A 16 2.101 3.513 -36.718 1.00 0.00 C ATOM 239 C PRO A 16 1.338 2.532 -37.600 1.00 0.00 C ATOM 240 O PRO A 16 0.477 2.919 -38.390 1.00 0.00 O ATOM 241 CB PRO A 16 3.451 3.874 -37.349 1.00 0.00 C ATOM 242 CG PRO A 16 4.453 3.031 -36.640 1.00 0.00 C ATOM 243 CD PRO A 16 3.924 2.837 -35.249 1.00 0.00 C ATOM 0 HA PRO A 16 1.442 4.373 -36.600 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.452 3.670 -38.420 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.672 4.934 -37.227 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.584 2.074 -37.144 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.428 3.517 -36.622 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.230 1.877 -34.832 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.285 3.609 -34.570 1.00 0.00 H new ATOM 251 N GLU A 17 1.639 1.254 -37.419 1.00 0.00 N ATOM 252 CA GLU A 17 0.999 0.180 -38.171 1.00 0.00 C ATOM 253 C GLU A 17 -0.495 0.111 -37.869 1.00 0.00 C ATOM 254 O GLU A 17 -1.279 -0.394 -38.668 1.00 0.00 O ATOM 255 CB GLU A 17 1.659 -1.156 -37.823 1.00 0.00 C ATOM 256 CG GLU A 17 3.152 -1.187 -38.100 1.00 0.00 C ATOM 257 CD GLU A 17 3.823 -2.413 -37.521 1.00 0.00 C ATOM 258 OE1 GLU A 17 3.680 -3.508 -38.106 1.00 0.00 O ATOM 259 OE2 GLU A 17 4.493 -2.291 -36.475 1.00 0.00 O ATOM 0 H GLU A 17 2.334 0.930 -36.746 1.00 0.00 H new ATOM 0 HA GLU A 17 1.122 0.386 -39.234 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.489 -1.372 -36.768 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.176 -1.950 -38.393 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.319 -1.160 -39.177 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.614 -0.292 -37.683 1.00 0.00 H new ATOM 266 N ASN A 18 -0.882 0.618 -36.705 1.00 0.00 N ATOM 267 CA ASN A 18 -2.275 0.576 -36.275 1.00 0.00 C ATOM 268 C ASN A 18 -2.839 1.980 -36.084 1.00 0.00 C ATOM 269 O ASN A 18 -3.967 2.148 -35.627 1.00 0.00 O ATOM 270 CB ASN A 18 -2.396 -0.232 -34.982 1.00 0.00 C ATOM 271 CG ASN A 18 -2.151 -1.715 -35.202 1.00 0.00 C ATOM 272 OD1 ASN A 18 -2.509 -2.268 -36.243 1.00 0.00 O ATOM 273 ND2 ASN A 18 -1.521 -2.366 -34.237 1.00 0.00 N ATOM 0 H ASN A 18 -0.250 1.064 -36.040 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.860 0.089 -37.056 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.682 0.147 -34.251 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.390 -0.089 -34.559 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.316 -3.360 -34.341 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.240 -1.874 -33.389 1.00 0.00 H new ATOM 280 N GLN A 19 -2.031 2.977 -36.443 1.00 0.00 N ATOM 281 CA GLN A 19 -2.421 4.390 -36.372 1.00 0.00 C ATOM 282 C GLN A 19 -2.824 4.796 -34.955 1.00 0.00 C ATOM 283 O GLN A 19 -3.647 5.698 -34.770 1.00 0.00 O ATOM 284 CB GLN A 19 -3.583 4.712 -37.328 1.00 0.00 C ATOM 285 CG GLN A 19 -3.272 4.579 -38.816 1.00 0.00 C ATOM 286 CD GLN A 19 -3.358 3.152 -39.311 1.00 0.00 C ATOM 287 OE1 GLN A 19 -4.437 2.669 -39.652 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.223 2.484 -39.407 1.00 0.00 N ATOM 0 H GLN A 19 -1.084 2.830 -36.793 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.542 4.960 -36.673 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.418 4.053 -37.090 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.916 5.732 -37.135 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.967 5.198 -39.384 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.271 4.965 -39.009 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.349 2.919 -39.114 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.221 1.533 -39.775 1.00 0.00 H new ATOM 297 N MET A 20 -2.224 4.166 -33.954 1.00 0.00 N ATOM 298 CA MET A 20 -2.616 4.422 -32.580 1.00 0.00 C ATOM 299 C MET A 20 -1.419 4.370 -31.648 1.00 0.00 C ATOM 300 O MET A 20 -0.320 3.975 -32.045 1.00 0.00 O ATOM 301 CB MET A 20 -3.674 3.412 -32.126 1.00 0.00 C ATOM 302 CG MET A 20 -3.170 1.983 -32.040 1.00 0.00 C ATOM 303 SD MET A 20 -4.453 0.840 -31.496 1.00 0.00 S ATOM 304 CE MET A 20 -3.535 -0.696 -31.484 1.00 0.00 C ATOM 0 H MET A 20 -1.474 3.484 -34.067 1.00 0.00 H new ATOM 0 HA MET A 20 -3.040 5.425 -32.538 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.052 3.712 -31.149 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.516 3.448 -32.818 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.798 1.671 -33.016 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.328 1.937 -31.349 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.987 -1.385 -30.770 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.555 -1.140 -32.479 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.502 -0.500 -31.195 1.00 0.00 H new ATOM 314 N PHE A 21 -1.643 4.773 -30.412 1.00 0.00 N ATOM 315 CA PHE A 21 -0.614 4.742 -29.391 1.00 0.00 C ATOM 316 C PHE A 21 -1.049 3.839 -28.251 1.00 0.00 C ATOM 317 O PHE A 21 -2.219 3.829 -27.868 1.00 0.00 O ATOM 318 CB PHE A 21 -0.316 6.152 -28.872 1.00 0.00 C ATOM 319 CG PHE A 21 0.549 6.959 -29.799 1.00 0.00 C ATOM 320 CD1 PHE A 21 0.045 7.454 -30.990 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.873 7.208 -29.480 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.848 8.185 -31.845 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.679 7.938 -30.332 1.00 0.00 C ATOM 324 CZ PHE A 21 2.165 8.426 -31.515 1.00 0.00 C ATOM 0 H PHE A 21 -2.542 5.130 -30.088 1.00 0.00 H new ATOM 0 HA PHE A 21 0.301 4.346 -29.831 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.257 6.679 -28.714 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.175 6.078 -27.902 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.986 7.267 -31.253 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.280 6.827 -28.555 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.444 8.567 -32.771 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.710 8.126 -30.072 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.794 8.997 -32.183 1.00 0.00 H new ATOM 334 N THR A 22 -0.112 3.073 -27.722 1.00 0.00 N ATOM 335 CA THR A 22 -0.415 2.132 -26.663 1.00 0.00 C ATOM 336 C THR A 22 0.567 2.279 -25.513 1.00 0.00 C ATOM 337 O THR A 22 1.725 2.640 -25.714 1.00 0.00 O ATOM 338 CB THR A 22 -0.390 0.682 -27.179 1.00 0.00 C ATOM 339 OG1 THR A 22 0.858 0.423 -27.843 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.547 0.427 -28.135 1.00 0.00 C ATOM 0 H THR A 22 0.866 3.085 -28.010 1.00 0.00 H new ATOM 0 HA THR A 22 -1.420 2.358 -26.306 1.00 0.00 H new ATOM 0 HB THR A 22 -0.494 0.011 -26.327 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.716 -0.222 -28.567 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.508 -0.604 -28.486 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.491 0.599 -27.618 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.471 1.103 -28.986 1.00 0.00 H new ATOM 348 N TYR A 23 0.102 2.020 -24.309 1.00 0.00 N ATOM 349 CA TYR A 23 0.961 2.080 -23.142 1.00 0.00 C ATOM 350 C TYR A 23 0.998 0.711 -22.480 1.00 0.00 C ATOM 351 O TYR A 23 -0.045 0.159 -22.136 1.00 0.00 O ATOM 352 CB TYR A 23 0.462 3.149 -22.165 1.00 0.00 C ATOM 353 CG TYR A 23 1.557 3.766 -21.326 1.00 0.00 C ATOM 354 CD1 TYR A 23 2.701 4.270 -21.924 1.00 0.00 C ATOM 355 CD2 TYR A 23 1.442 3.862 -19.944 1.00 0.00 C ATOM 356 CE1 TYR A 23 3.703 4.849 -21.177 1.00 0.00 C ATOM 357 CE2 TYR A 23 2.444 4.441 -19.184 1.00 0.00 C ATOM 358 CZ TYR A 23 3.574 4.933 -19.807 1.00 0.00 C ATOM 359 OH TYR A 23 4.573 5.518 -19.063 1.00 0.00 O ATOM 0 H TYR A 23 -0.866 1.766 -24.111 1.00 0.00 H new ATOM 0 HA TYR A 23 1.971 2.355 -23.445 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.040 3.936 -22.727 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.283 2.705 -21.504 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.809 4.208 -22.997 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.558 3.479 -19.456 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.587 5.236 -21.663 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.343 4.507 -18.111 1.00 0.00 H new ATOM 0 HH TYR A 23 5.093 6.123 -19.632 1.00 0.00 H new ATOM 369 N PRO A 24 2.200 0.138 -22.334 1.00 0.00 N ATOM 370 CA PRO A 24 2.374 -1.218 -21.797 1.00 0.00 C ATOM 371 C PRO A 24 1.890 -1.366 -20.357 1.00 0.00 C ATOM 372 O PRO A 24 2.414 -0.734 -19.438 1.00 0.00 O ATOM 373 CB PRO A 24 3.886 -1.450 -21.886 1.00 0.00 C ATOM 374 CG PRO A 24 4.484 -0.087 -21.952 1.00 0.00 C ATOM 375 CD PRO A 24 3.489 0.762 -22.682 1.00 0.00 C ATOM 0 HA PRO A 24 1.782 -1.943 -22.355 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.252 -2.000 -21.019 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.144 -2.037 -22.768 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.674 0.305 -20.953 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.440 -0.105 -22.475 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.533 1.802 -22.360 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.664 0.753 -23.758 1.00 0.00 H new ATOM 383 N CYS A 25 0.881 -2.205 -20.185 1.00 0.00 N ATOM 384 CA CYS A 25 0.335 -2.513 -18.877 1.00 0.00 C ATOM 385 C CYS A 25 0.175 -4.021 -18.744 1.00 0.00 C ATOM 386 O CYS A 25 -0.226 -4.694 -19.699 1.00 0.00 O ATOM 387 CB CYS A 25 -1.013 -1.809 -18.691 1.00 0.00 C ATOM 388 SG CYS A 25 -1.982 -2.362 -17.246 1.00 0.00 S ATOM 0 H CYS A 25 0.418 -2.692 -20.952 1.00 0.00 H new ATOM 0 HA CYS A 25 1.015 -2.157 -18.103 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.836 -0.737 -18.602 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.611 -1.960 -19.590 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.801 -3.305 -17.608 1.00 0.00 H new ATOM 393 N PRO A 26 0.555 -4.591 -17.596 1.00 0.00 N ATOM 394 CA PRO A 26 0.329 -5.990 -17.328 1.00 0.00 C ATOM 395 C PRO A 26 -1.015 -6.222 -16.645 1.00 0.00 C ATOM 396 O PRO A 26 -1.243 -5.777 -15.516 1.00 0.00 O ATOM 397 CB PRO A 26 1.487 -6.358 -16.390 1.00 0.00 C ATOM 398 CG PRO A 26 2.102 -5.060 -15.940 1.00 0.00 C ATOM 399 CD PRO A 26 1.255 -3.941 -16.494 1.00 0.00 C ATOM 0 HA PRO A 26 0.298 -6.592 -18.236 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.127 -6.933 -15.537 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.221 -6.977 -16.905 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.139 -5.010 -14.852 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.128 -4.977 -16.298 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.563 -3.549 -15.749 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.863 -3.104 -16.837 1.00 0.00 H new ATOM 407 N CYS A 27 -1.869 -6.970 -17.322 1.00 0.00 N ATOM 408 CA CYS A 27 -3.204 -7.282 -16.837 1.00 0.00 C ATOM 409 C CYS A 27 -3.870 -8.228 -17.827 1.00 0.00 C ATOM 410 O CYS A 27 -4.452 -9.246 -17.455 1.00 0.00 O ATOM 411 CB CYS A 27 -4.050 -6.003 -16.679 1.00 0.00 C ATOM 412 SG CYS A 27 -4.395 -5.127 -18.246 1.00 0.00 S ATOM 0 H CYS A 27 -1.655 -7.381 -18.230 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.128 -7.753 -15.857 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.997 -6.265 -16.207 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.534 -5.322 -16.002 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.867 -3.944 -17.987 1.00 0.00 H new ATOM 417 N GLY A 28 -3.761 -7.867 -19.097 1.00 0.00 N ATOM 418 CA GLY A 28 -4.298 -8.672 -20.170 1.00 0.00 C ATOM 419 C GLY A 28 -4.283 -7.911 -21.477 1.00 0.00 C ATOM 420 O GLY A 28 -4.224 -8.502 -22.557 1.00 0.00 O ATOM 0 H GLY A 28 -3.299 -7.011 -19.406 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.714 -9.587 -20.271 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.319 -8.970 -19.930 1.00 0.00 H new ATOM 424 N ASP A 29 -4.344 -6.591 -21.372 1.00 0.00 N ATOM 425 CA ASP A 29 -4.306 -5.720 -22.536 1.00 0.00 C ATOM 426 C ASP A 29 -3.507 -4.461 -22.210 1.00 0.00 C ATOM 427 O ASP A 29 -3.030 -4.308 -21.090 1.00 0.00 O ATOM 428 CB ASP A 29 -5.715 -5.363 -23.006 1.00 0.00 C ATOM 429 CG ASP A 29 -5.789 -5.207 -24.516 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.872 -4.593 -25.107 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.754 -5.720 -25.121 1.00 0.00 O ATOM 0 H ASP A 29 -4.421 -6.097 -20.483 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.815 -6.251 -23.352 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.411 -6.139 -22.687 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.032 -4.435 -22.530 1.00 0.00 H new ATOM 436 N ARG A 30 -3.315 -3.596 -23.202 1.00 0.00 N ATOM 437 CA ARG A 30 -2.515 -2.389 -23.023 1.00 0.00 C ATOM 438 C ARG A 30 -3.399 -1.153 -23.149 1.00 0.00 C ATOM 439 O ARG A 30 -4.456 -1.205 -23.779 1.00 0.00 O ATOM 440 CB ARG A 30 -1.393 -2.308 -24.072 1.00 0.00 C ATOM 441 CG ARG A 30 -0.752 -3.644 -24.425 1.00 0.00 C ATOM 442 CD ARG A 30 -1.551 -4.383 -25.495 1.00 0.00 C ATOM 443 NE ARG A 30 -1.076 -5.752 -25.693 1.00 0.00 N ATOM 444 CZ ARG A 30 -1.885 -6.810 -25.748 1.00 0.00 C ATOM 445 NH1 ARG A 30 -3.200 -6.658 -25.668 1.00 0.00 N ATOM 446 NH2 ARG A 30 -1.383 -8.032 -25.886 1.00 0.00 N ATOM 0 H ARG A 30 -3.703 -3.709 -24.139 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.069 -2.429 -22.029 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.796 -1.863 -24.981 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.618 -1.635 -23.704 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.265 -3.478 -24.779 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.681 -4.262 -23.530 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.603 -4.403 -25.211 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.485 -3.838 -26.437 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.073 -5.905 -25.794 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.600 -5.726 -25.563 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.811 -7.473 -25.711 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.374 -8.164 -25.950 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.007 -8.838 -25.927 1.00 0.00 H new ATOM 460 N PHE A 31 -2.965 -0.043 -22.555 1.00 0.00 N ATOM 461 CA PHE A 31 -3.648 1.235 -22.735 1.00 0.00 C ATOM 462 C PHE A 31 -3.682 1.589 -24.214 1.00 0.00 C ATOM 463 O PHE A 31 -2.635 1.760 -24.834 1.00 0.00 O ATOM 464 CB PHE A 31 -2.938 2.358 -21.971 1.00 0.00 C ATOM 465 CG PHE A 31 -3.028 2.259 -20.475 1.00 0.00 C ATOM 466 CD1 PHE A 31 -2.071 1.565 -19.750 1.00 0.00 C ATOM 467 CD2 PHE A 31 -4.063 2.877 -19.792 1.00 0.00 C ATOM 468 CE1 PHE A 31 -2.149 1.485 -18.373 1.00 0.00 C ATOM 469 CE2 PHE A 31 -4.145 2.801 -18.416 1.00 0.00 C ATOM 470 CZ PHE A 31 -3.188 2.104 -17.706 1.00 0.00 C ATOM 0 H PHE A 31 -2.147 -0.003 -21.947 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.661 1.134 -22.344 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.886 2.364 -22.258 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.359 3.313 -22.284 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.256 1.082 -20.268 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.814 3.424 -20.342 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.399 0.940 -17.819 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.957 3.286 -17.895 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.252 2.043 -16.630 1.00 0.00 H new ATOM 480 N GLN A 32 -4.872 1.692 -24.778 1.00 0.00 N ATOM 481 CA GLN A 32 -5.014 1.949 -26.201 1.00 0.00 C ATOM 482 C GLN A 32 -5.706 3.282 -26.451 1.00 0.00 C ATOM 483 O GLN A 32 -6.685 3.616 -25.784 1.00 0.00 O ATOM 484 CB GLN A 32 -5.797 0.816 -26.862 1.00 0.00 C ATOM 485 CG GLN A 32 -5.070 -0.517 -26.853 1.00 0.00 C ATOM 486 CD GLN A 32 -5.920 -1.633 -27.409 1.00 0.00 C ATOM 487 OE1 GLN A 32 -5.911 -1.901 -28.611 1.00 0.00 O ATOM 488 NE2 GLN A 32 -6.660 -2.292 -26.537 1.00 0.00 N ATOM 0 H GLN A 32 -5.754 1.602 -24.273 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.017 1.998 -26.640 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.753 0.701 -26.351 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.017 1.092 -27.893 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.154 -0.434 -27.438 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.775 -0.761 -25.833 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.636 -2.035 -25.550 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.256 -3.058 -26.850 1.00 0.00 H new ATOM 497 N ILE A 33 -5.171 4.044 -27.397 1.00 0.00 N ATOM 498 CA ILE A 33 -5.782 5.290 -27.833 1.00 0.00 C ATOM 499 C ILE A 33 -5.474 5.528 -29.313 1.00 0.00 C ATOM 500 O ILE A 33 -4.339 5.330 -29.756 1.00 0.00 O ATOM 501 CB ILE A 33 -5.296 6.493 -26.989 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.948 7.789 -27.475 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.778 6.610 -27.029 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.621 8.991 -26.620 1.00 0.00 C ATOM 0 H ILE A 33 -4.303 3.815 -27.882 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.859 5.202 -27.692 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.594 6.322 -25.955 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.628 7.985 -28.499 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.029 7.655 -27.499 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.463 7.463 -26.428 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.332 5.700 -26.628 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.451 6.751 -28.059 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.118 9.872 -27.026 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.966 8.817 -25.601 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.543 9.152 -26.616 1.00 0.00 H new ATOM 516 N TYR A 34 -6.479 5.922 -30.083 1.00 0.00 N ATOM 517 CA TYR A 34 -6.291 6.167 -31.503 1.00 0.00 C ATOM 518 C TYR A 34 -6.004 7.637 -31.759 1.00 0.00 C ATOM 519 O TYR A 34 -6.476 8.505 -31.026 1.00 0.00 O ATOM 520 CB TYR A 34 -7.519 5.721 -32.299 1.00 0.00 C ATOM 521 CG TYR A 34 -7.593 4.229 -32.521 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.215 3.393 -31.601 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.034 3.653 -33.657 1.00 0.00 C ATOM 524 CE1 TYR A 34 -8.278 2.028 -31.807 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.094 2.289 -33.869 1.00 0.00 C ATOM 526 CZ TYR A 34 -7.715 1.483 -32.942 1.00 0.00 C ATOM 527 OH TYR A 34 -7.771 0.122 -33.151 1.00 0.00 O ATOM 0 H TYR A 34 -7.430 6.078 -29.748 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.434 5.582 -31.836 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.418 6.046 -31.775 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.515 6.223 -33.266 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.656 3.817 -30.711 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.545 4.283 -34.386 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.765 1.392 -31.083 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.656 1.858 -34.757 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.328 -0.097 -33.997 1.00 0.00 H new ATOM 537 N LEU A 35 -5.237 7.906 -32.808 1.00 0.00 N ATOM 538 CA LEU A 35 -4.851 9.270 -33.154 1.00 0.00 C ATOM 539 C LEU A 35 -6.090 10.121 -33.440 1.00 0.00 C ATOM 540 O LEU A 35 -6.113 11.319 -33.160 1.00 0.00 O ATOM 541 CB LEU A 35 -3.919 9.247 -34.373 1.00 0.00 C ATOM 542 CG LEU A 35 -2.768 10.261 -34.363 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.286 11.687 -34.374 1.00 0.00 C ATOM 544 CD2 LEU A 35 -1.873 10.036 -33.155 1.00 0.00 C ATOM 0 H LEU A 35 -4.868 7.194 -33.438 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.322 9.716 -32.311 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.494 8.247 -34.461 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.519 9.418 -35.267 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.184 10.109 -35.270 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.445 12.380 -34.366 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.883 11.850 -35.271 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.903 11.857 -33.492 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.061 10.764 -33.163 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.457 10.154 -32.242 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.458 9.029 -33.192 1.00 0.00 H new ATOM 556 N ASP A 36 -7.122 9.483 -33.975 1.00 0.00 N ATOM 557 CA ASP A 36 -8.370 10.162 -34.296 1.00 0.00 C ATOM 558 C ASP A 36 -9.000 10.765 -33.042 1.00 0.00 C ATOM 559 O ASP A 36 -9.483 11.896 -33.060 1.00 0.00 O ATOM 560 CB ASP A 36 -9.341 9.186 -34.961 1.00 0.00 C ATOM 561 CG ASP A 36 -10.621 9.858 -35.411 1.00 0.00 C ATOM 562 OD1 ASP A 36 -10.582 10.608 -36.405 1.00 0.00 O ATOM 563 OD2 ASP A 36 -11.673 9.629 -34.781 1.00 0.00 O ATOM 0 H ASP A 36 -7.119 8.488 -34.197 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.152 10.974 -34.990 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.855 8.724 -35.821 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.581 8.385 -34.262 1.00 0.00 H new ATOM 568 N ASP A 37 -8.957 10.010 -31.945 1.00 0.00 N ATOM 569 CA ASP A 37 -9.508 10.469 -30.671 1.00 0.00 C ATOM 570 C ASP A 37 -8.706 11.652 -30.150 1.00 0.00 C ATOM 571 O ASP A 37 -9.255 12.592 -29.574 1.00 0.00 O ATOM 572 CB ASP A 37 -9.494 9.346 -29.626 1.00 0.00 C ATOM 573 CG ASP A 37 -10.325 8.144 -30.030 1.00 0.00 C ATOM 574 OD1 ASP A 37 -11.530 8.313 -30.311 1.00 0.00 O ATOM 575 OD2 ASP A 37 -9.776 7.020 -30.075 1.00 0.00 O ATOM 0 H ASP A 37 -8.546 9.077 -31.913 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.541 10.772 -30.843 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.465 9.028 -29.457 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.867 9.735 -28.679 1.00 0.00 H new ATOM 580 N MET A 38 -7.400 11.604 -30.378 1.00 0.00 N ATOM 581 CA MET A 38 -6.499 12.656 -29.924 1.00 0.00 C ATOM 582 C MET A 38 -6.742 13.939 -30.711 1.00 0.00 C ATOM 583 O MET A 38 -6.720 15.032 -30.149 1.00 0.00 O ATOM 584 CB MET A 38 -5.042 12.216 -30.078 1.00 0.00 C ATOM 585 CG MET A 38 -4.763 10.844 -29.494 1.00 0.00 C ATOM 586 SD MET A 38 -3.009 10.433 -29.474 1.00 0.00 S ATOM 587 CE MET A 38 -2.426 11.568 -28.220 1.00 0.00 C ATOM 0 H MET A 38 -6.939 10.844 -30.877 1.00 0.00 H new ATOM 0 HA MET A 38 -6.698 12.847 -28.869 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.781 12.212 -31.136 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.396 12.948 -29.593 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.152 10.802 -28.477 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.300 10.092 -30.072 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.601 11.113 -27.672 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.083 12.488 -28.693 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.238 11.796 -27.529 1.00 0.00 H new ATOM 597 N PHE A 39 -6.995 13.790 -32.009 1.00 0.00 N ATOM 598 CA PHE A 39 -7.282 14.923 -32.884 1.00 0.00 C ATOM 599 C PHE A 39 -8.565 15.628 -32.441 1.00 0.00 C ATOM 600 O PHE A 39 -8.719 16.839 -32.609 1.00 0.00 O ATOM 601 CB PHE A 39 -7.410 14.442 -34.335 1.00 0.00 C ATOM 602 CG PHE A 39 -7.602 15.545 -35.338 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.522 16.290 -35.783 1.00 0.00 C ATOM 604 CD2 PHE A 39 -8.862 15.837 -35.835 1.00 0.00 C ATOM 605 CE1 PHE A 39 -6.695 17.306 -36.704 1.00 0.00 C ATOM 606 CE2 PHE A 39 -9.041 16.853 -36.756 1.00 0.00 C ATOM 607 CZ PHE A 39 -7.956 17.589 -37.191 1.00 0.00 C ATOM 0 H PHE A 39 -7.007 12.886 -32.481 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.460 15.635 -32.819 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.515 13.879 -34.599 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.252 13.753 -34.404 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.533 16.074 -35.406 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.714 15.265 -35.499 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.844 17.878 -37.043 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.029 17.071 -37.135 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.093 18.383 -37.910 1.00 0.00 H new ATOM 617 N GLU A 40 -9.474 14.850 -31.861 1.00 0.00 N ATOM 618 CA GLU A 40 -10.725 15.372 -31.331 1.00 0.00 C ATOM 619 C GLU A 40 -10.479 16.321 -30.161 1.00 0.00 C ATOM 620 O GLU A 40 -11.321 17.164 -29.846 1.00 0.00 O ATOM 621 CB GLU A 40 -11.611 14.214 -30.866 1.00 0.00 C ATOM 622 CG GLU A 40 -12.187 13.386 -32.000 1.00 0.00 C ATOM 623 CD GLU A 40 -13.435 14.001 -32.592 1.00 0.00 C ATOM 624 OE1 GLU A 40 -13.376 15.160 -33.047 1.00 0.00 O ATOM 625 OE2 GLU A 40 -14.486 13.326 -32.600 1.00 0.00 O ATOM 0 H GLU A 40 -9.363 13.843 -31.746 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.222 15.928 -32.126 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.029 13.563 -30.214 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.430 14.614 -30.269 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.435 13.274 -32.782 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.418 12.386 -31.634 1.00 0.00 H new ATOM 632 N GLY A 41 -9.324 16.183 -29.529 1.00 0.00 N ATOM 633 CA GLY A 41 -9.037 16.944 -28.330 1.00 0.00 C ATOM 634 C GLY A 41 -9.237 16.105 -27.088 1.00 0.00 C ATOM 635 O GLY A 41 -9.020 16.565 -25.966 1.00 0.00 O ATOM 0 H GLY A 41 -8.577 15.555 -29.826 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.010 17.308 -28.364 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.685 17.820 -28.288 1.00 0.00 H new ATOM 639 N GLU A 42 -9.651 14.866 -27.301 1.00 0.00 N ATOM 640 CA GLU A 42 -9.883 13.929 -26.218 1.00 0.00 C ATOM 641 C GLU A 42 -8.624 13.110 -25.985 1.00 0.00 C ATOM 642 O GLU A 42 -8.349 12.150 -26.704 1.00 0.00 O ATOM 643 CB GLU A 42 -11.054 13.006 -26.572 1.00 0.00 C ATOM 644 CG GLU A 42 -11.531 12.130 -25.429 1.00 0.00 C ATOM 645 CD GLU A 42 -12.338 12.898 -24.407 1.00 0.00 C ATOM 646 OE1 GLU A 42 -13.480 13.291 -24.727 1.00 0.00 O ATOM 647 OE2 GLU A 42 -11.843 13.103 -23.280 1.00 0.00 O ATOM 0 H GLU A 42 -9.835 14.484 -28.229 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.130 14.476 -25.308 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.889 13.615 -26.919 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.758 12.367 -27.404 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.137 11.316 -25.828 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.669 11.676 -24.940 1.00 0.00 H new ATOM 654 N LYS A 43 -7.847 13.506 -25.002 1.00 0.00 N ATOM 655 CA LYS A 43 -6.579 12.853 -24.740 1.00 0.00 C ATOM 656 C LYS A 43 -6.669 11.927 -23.535 1.00 0.00 C ATOM 657 O LYS A 43 -6.575 12.353 -22.387 1.00 0.00 O ATOM 658 CB LYS A 43 -5.526 13.907 -24.503 1.00 0.00 C ATOM 659 CG LYS A 43 -5.971 14.913 -23.481 1.00 0.00 C ATOM 660 CD LYS A 43 -4.917 15.933 -23.206 1.00 0.00 C ATOM 661 CE LYS A 43 -5.472 16.981 -22.275 1.00 0.00 C ATOM 662 NZ LYS A 43 -5.543 16.501 -20.866 1.00 0.00 N ATOM 0 H LYS A 43 -8.068 14.276 -24.370 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.314 12.244 -25.604 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.604 13.432 -24.169 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.301 14.415 -25.441 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.875 15.411 -23.832 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.229 14.399 -22.555 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.043 15.459 -22.759 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.588 16.394 -24.137 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.848 17.874 -22.322 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.468 17.271 -22.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.866 17.275 -20.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.212 15.707 -20.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.601 16.185 -20.559 1.00 0.00 H new ATOM 676 N VAL A 44 -6.834 10.659 -23.808 1.00 0.00 N ATOM 677 CA VAL A 44 -6.938 9.664 -22.758 1.00 0.00 C ATOM 678 C VAL A 44 -6.853 8.260 -23.336 1.00 0.00 C ATOM 679 O VAL A 44 -7.580 7.917 -24.268 1.00 0.00 O ATOM 680 CB VAL A 44 -8.240 9.840 -21.934 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.449 9.976 -22.844 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.436 8.691 -20.956 1.00 0.00 C ATOM 0 H VAL A 44 -6.900 10.283 -24.754 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.096 9.810 -22.081 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.140 10.760 -21.358 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.348 10.098 -22.239 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.324 10.847 -23.488 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.544 9.081 -23.459 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.357 8.845 -20.394 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.499 7.752 -21.506 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.593 8.652 -20.267 1.00 0.00 H new ATOM 692 N ALA A 45 -5.957 7.457 -22.795 1.00 0.00 N ATOM 693 CA ALA A 45 -5.838 6.073 -23.213 1.00 0.00 C ATOM 694 C ALA A 45 -6.514 5.168 -22.199 1.00 0.00 C ATOM 695 O ALA A 45 -6.386 5.373 -20.988 1.00 0.00 O ATOM 696 CB ALA A 45 -4.382 5.686 -23.400 1.00 0.00 C ATOM 0 H ALA A 45 -5.301 7.738 -22.066 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.337 5.954 -24.175 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.320 4.644 -23.713 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.932 6.322 -24.162 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.848 5.814 -22.459 1.00 0.00 H new ATOM 702 N VAL A 46 -7.247 4.187 -22.695 1.00 0.00 N ATOM 703 CA VAL A 46 -7.978 3.269 -21.838 1.00 0.00 C ATOM 704 C VAL A 46 -7.368 1.879 -21.924 1.00 0.00 C ATOM 705 O VAL A 46 -7.094 1.387 -23.019 1.00 0.00 O ATOM 706 CB VAL A 46 -9.468 3.184 -22.249 1.00 0.00 C ATOM 707 CG1 VAL A 46 -10.252 2.311 -21.278 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.084 4.573 -22.351 1.00 0.00 C ATOM 0 H VAL A 46 -7.352 4.005 -23.693 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.913 3.647 -20.818 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.519 2.720 -23.234 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.296 2.268 -21.589 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.833 1.305 -21.273 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.189 2.735 -20.276 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.131 4.486 -22.641 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.015 5.073 -21.385 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.547 5.155 -23.100 1.00 0.00 H new ATOM 718 N CYS A 47 -7.139 1.259 -20.776 1.00 0.00 N ATOM 719 CA CYS A 47 -6.636 -0.099 -20.748 1.00 0.00 C ATOM 720 C CYS A 47 -7.762 -1.065 -20.429 1.00 0.00 C ATOM 721 O CYS A 47 -8.337 -1.032 -19.339 1.00 0.00 O ATOM 722 CB CYS A 47 -5.516 -0.262 -19.720 1.00 0.00 C ATOM 723 SG CYS A 47 -4.496 -1.747 -19.990 1.00 0.00 S ATOM 0 H CYS A 47 -7.294 1.675 -19.858 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.228 -0.321 -21.734 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.876 0.620 -19.749 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.952 -0.307 -18.722 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.689 -1.908 -18.984 1.00 0.00 H new ATOM 728 N PRO A 48 -8.134 -1.901 -21.401 1.00 0.00 N ATOM 729 CA PRO A 48 -9.050 -3.004 -21.167 1.00 0.00 C ATOM 730 C PRO A 48 -8.411 -4.064 -20.275 1.00 0.00 C ATOM 731 O PRO A 48 -7.190 -4.116 -20.158 1.00 0.00 O ATOM 732 CB PRO A 48 -9.336 -3.561 -22.563 1.00 0.00 C ATOM 733 CG PRO A 48 -8.217 -3.084 -23.424 1.00 0.00 C ATOM 734 CD PRO A 48 -7.689 -1.823 -22.800 1.00 0.00 C ATOM 0 HA PRO A 48 -9.958 -2.689 -20.653 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.382 -4.650 -22.548 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.296 -3.206 -22.937 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.433 -3.839 -23.491 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.565 -2.895 -24.439 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.603 -1.768 -22.870 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.086 -0.937 -23.296 1.00 0.00 H new ATOM 742 N SER A 49 -9.256 -4.860 -19.617 1.00 0.00 N ATOM 743 CA SER A 49 -8.835 -5.940 -18.715 1.00 0.00 C ATOM 744 C SER A 49 -8.707 -5.433 -17.282 1.00 0.00 C ATOM 745 O SER A 49 -9.383 -5.939 -16.382 1.00 0.00 O ATOM 746 CB SER A 49 -7.540 -6.627 -19.186 1.00 0.00 C ATOM 747 OG SER A 49 -7.112 -7.625 -18.273 1.00 0.00 O ATOM 0 H SER A 49 -10.269 -4.773 -19.696 1.00 0.00 H new ATOM 0 HA SER A 49 -9.616 -6.700 -18.739 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.702 -7.076 -20.166 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.754 -5.881 -19.304 1.00 0.00 H new ATOM 0 HG SER A 49 -7.085 -8.493 -18.727 1.00 0.00 H new ATOM 753 N CYS A 50 -7.865 -4.433 -17.058 1.00 0.00 N ATOM 754 CA CYS A 50 -7.739 -3.861 -15.723 1.00 0.00 C ATOM 755 C CYS A 50 -8.692 -2.679 -15.571 1.00 0.00 C ATOM 756 O CYS A 50 -9.162 -2.383 -14.468 1.00 0.00 O ATOM 757 CB CYS A 50 -6.297 -3.436 -15.425 1.00 0.00 C ATOM 758 SG CYS A 50 -5.691 -2.050 -16.434 1.00 0.00 S ATOM 0 H CYS A 50 -7.269 -4.007 -17.768 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.007 -4.630 -14.998 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.223 -3.161 -14.373 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.641 -4.293 -15.577 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.424 -2.211 -16.676 1.00 0.00 H new ATOM 763 N SER A 51 -8.977 -2.032 -16.703 1.00 0.00 N ATOM 764 CA SER A 51 -9.915 -0.913 -16.782 1.00 0.00 C ATOM 765 C SER A 51 -9.357 0.335 -16.087 1.00 0.00 C ATOM 766 O SER A 51 -9.792 0.714 -14.997 1.00 0.00 O ATOM 767 CB SER A 51 -11.280 -1.302 -16.199 1.00 0.00 C ATOM 768 OG SER A 51 -12.293 -0.382 -16.581 1.00 0.00 O ATOM 0 H SER A 51 -8.557 -2.274 -17.601 1.00 0.00 H new ATOM 0 HA SER A 51 -10.052 -0.670 -17.836 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.549 -2.302 -16.538 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.214 -1.341 -15.112 1.00 0.00 H new ATOM 0 HG SER A 51 -13.150 -0.660 -16.194 1.00 0.00 H new ATOM 774 N LEU A 52 -8.380 0.966 -16.727 1.00 0.00 N ATOM 775 CA LEU A 52 -7.810 2.206 -16.230 1.00 0.00 C ATOM 776 C LEU A 52 -7.678 3.198 -17.380 1.00 0.00 C ATOM 777 O LEU A 52 -7.598 2.806 -18.542 1.00 0.00 O ATOM 778 CB LEU A 52 -6.448 1.943 -15.576 1.00 0.00 C ATOM 779 CG LEU A 52 -5.775 3.158 -14.930 1.00 0.00 C ATOM 780 CD1 LEU A 52 -6.669 3.761 -13.853 1.00 0.00 C ATOM 781 CD2 LEU A 52 -4.425 2.771 -14.348 1.00 0.00 C ATOM 0 H LEU A 52 -7.965 0.634 -17.598 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.469 2.630 -15.472 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.574 1.173 -14.815 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.775 1.537 -16.332 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.616 3.911 -15.701 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.171 4.622 -13.407 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.612 4.077 -14.298 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.863 3.015 -13.082 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.961 3.646 -13.893 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.563 1.999 -13.591 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.782 2.391 -15.142 1.00 0.00 H new ATOM 793 N MET A 53 -7.686 4.478 -17.046 1.00 0.00 N ATOM 794 CA MET A 53 -7.628 5.546 -18.040 1.00 0.00 C ATOM 795 C MET A 53 -6.718 6.662 -17.561 1.00 0.00 C ATOM 796 O MET A 53 -6.749 7.034 -16.386 1.00 0.00 O ATOM 797 CB MET A 53 -9.027 6.111 -18.289 1.00 0.00 C ATOM 798 CG MET A 53 -9.998 5.098 -18.854 1.00 0.00 C ATOM 799 SD MET A 53 -11.714 5.649 -18.769 1.00 0.00 S ATOM 800 CE MET A 53 -11.914 5.839 -16.998 1.00 0.00 C ATOM 0 H MET A 53 -7.733 4.809 -16.082 1.00 0.00 H new ATOM 0 HA MET A 53 -7.233 5.131 -18.967 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.425 6.499 -17.352 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.952 6.953 -18.977 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.738 4.893 -19.893 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.895 4.160 -18.309 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.899 5.478 -16.702 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.146 5.263 -16.481 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.818 6.892 -16.732 1.00 0.00 H new ATOM 810 N ILE A 54 -5.909 7.191 -18.470 1.00 0.00 N ATOM 811 CA ILE A 54 -5.014 8.300 -18.156 1.00 0.00 C ATOM 812 C ILE A 54 -4.983 9.286 -19.319 1.00 0.00 C ATOM 813 O ILE A 54 -5.210 8.901 -20.466 1.00 0.00 O ATOM 814 CB ILE A 54 -3.561 7.837 -17.841 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.773 7.490 -19.118 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.565 6.648 -16.886 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.318 6.318 -19.902 1.00 0.00 C ATOM 0 H ILE A 54 -5.854 6.869 -19.436 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.408 8.776 -17.258 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.058 8.676 -17.360 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.756 8.366 -19.766 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.740 7.276 -18.844 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.539 6.343 -16.681 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.052 6.932 -15.953 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.107 5.818 -17.340 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.698 6.150 -20.783 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.309 5.426 -19.276 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.340 6.532 -20.213 1.00 0.00 H new ATOM 829 N ASP A 55 -4.714 10.550 -19.023 1.00 0.00 N ATOM 830 CA ASP A 55 -4.608 11.573 -20.061 1.00 0.00 C ATOM 831 C ASP A 55 -3.296 11.421 -20.822 1.00 0.00 C ATOM 832 O ASP A 55 -2.324 10.868 -20.297 1.00 0.00 O ATOM 833 CB ASP A 55 -4.651 12.981 -19.459 1.00 0.00 C ATOM 834 CG ASP A 55 -6.048 13.508 -19.188 1.00 0.00 C ATOM 835 OD1 ASP A 55 -6.625 14.163 -20.081 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.552 13.319 -18.058 1.00 0.00 O ATOM 0 H ASP A 55 -4.565 10.894 -18.074 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.455 11.440 -20.734 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.089 12.980 -18.525 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.143 13.667 -20.136 1.00 0.00 H new ATOM 841 N VAL A 56 -3.259 11.921 -22.049 1.00 0.00 N ATOM 842 CA VAL A 56 -2.033 11.892 -22.837 1.00 0.00 C ATOM 843 C VAL A 56 -1.735 13.264 -23.446 1.00 0.00 C ATOM 844 O VAL A 56 -2.566 13.850 -24.135 1.00 0.00 O ATOM 845 CB VAL A 56 -2.091 10.805 -23.936 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.326 10.964 -24.808 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.825 10.814 -24.783 1.00 0.00 C ATOM 0 H VAL A 56 -4.057 12.349 -22.519 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.218 11.637 -22.160 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.158 9.838 -23.438 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.336 10.185 -25.570 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.220 10.880 -24.191 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.308 11.942 -25.289 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.893 10.040 -25.547 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.714 11.787 -25.261 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.039 10.621 -24.147 1.00 0.00 H new ATOM 857 N VAL A 57 -0.546 13.774 -23.171 1.00 0.00 N ATOM 858 CA VAL A 57 -0.129 15.077 -23.672 1.00 0.00 C ATOM 859 C VAL A 57 0.395 14.970 -25.098 1.00 0.00 C ATOM 860 O VAL A 57 1.452 14.383 -25.339 1.00 0.00 O ATOM 861 CB VAL A 57 0.964 15.704 -22.781 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.400 17.053 -23.331 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.472 15.850 -21.354 1.00 0.00 C ATOM 0 H VAL A 57 0.154 13.302 -22.599 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.010 15.719 -23.655 1.00 0.00 H new ATOM 0 HB VAL A 57 1.826 15.037 -22.783 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.171 17.477 -22.687 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.798 16.924 -24.337 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.544 17.727 -23.363 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.257 16.294 -20.742 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.408 16.492 -21.337 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.213 14.869 -20.956 1.00 0.00 H new ATOM 873 N PHE A 58 -0.345 15.535 -26.036 1.00 0.00 N ATOM 874 CA PHE A 58 0.057 15.534 -27.434 1.00 0.00 C ATOM 875 C PHE A 58 0.376 16.951 -27.890 1.00 0.00 C ATOM 876 O PHE A 58 0.002 17.923 -27.231 1.00 0.00 O ATOM 877 CB PHE A 58 -1.049 14.931 -28.311 1.00 0.00 C ATOM 878 CG PHE A 58 -2.377 15.634 -28.203 1.00 0.00 C ATOM 879 CD1 PHE A 58 -2.669 16.728 -29.005 1.00 0.00 C ATOM 880 CD2 PHE A 58 -3.337 15.200 -27.301 1.00 0.00 C ATOM 881 CE1 PHE A 58 -3.888 17.372 -28.910 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.557 15.842 -27.202 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.833 16.928 -28.008 1.00 0.00 C ATOM 0 H PHE A 58 -1.233 16.003 -25.854 1.00 0.00 H new ATOM 0 HA PHE A 58 0.953 14.921 -27.537 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.724 14.951 -29.351 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.182 13.884 -28.039 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.934 17.081 -29.713 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.129 14.350 -26.668 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.101 18.222 -29.541 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.294 15.494 -26.494 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.787 17.429 -27.933 1.00 0.00 H new ATOM 893 N ASP A 59 1.076 17.070 -29.008 1.00 0.00 N ATOM 894 CA ASP A 59 1.336 18.372 -29.599 1.00 0.00 C ATOM 895 C ASP A 59 0.713 18.436 -30.977 1.00 0.00 C ATOM 896 O ASP A 59 0.483 17.404 -31.611 1.00 0.00 O ATOM 897 CB ASP A 59 2.832 18.658 -29.717 1.00 0.00 C ATOM 898 CG ASP A 59 3.133 20.144 -29.786 1.00 0.00 C ATOM 899 OD1 ASP A 59 2.894 20.760 -30.846 1.00 0.00 O ATOM 900 OD2 ASP A 59 3.609 20.706 -28.775 1.00 0.00 O ATOM 0 H ASP A 59 1.473 16.283 -29.522 1.00 0.00 H new ATOM 0 HA ASP A 59 0.897 19.124 -28.943 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.351 18.224 -28.862 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.223 18.169 -30.609 1.00 0.00 H new ATOM 905 N LYS A 60 0.455 19.644 -31.436 1.00 0.00 N ATOM 906 CA LYS A 60 -0.123 19.855 -32.748 1.00 0.00 C ATOM 907 C LYS A 60 0.832 19.363 -33.830 1.00 0.00 C ATOM 908 O LYS A 60 0.419 18.737 -34.807 1.00 0.00 O ATOM 909 CB LYS A 60 -0.446 21.338 -32.966 1.00 0.00 C ATOM 910 CG LYS A 60 -1.526 21.894 -32.041 1.00 0.00 C ATOM 911 CD LYS A 60 -1.012 22.152 -30.632 1.00 0.00 C ATOM 912 CE LYS A 60 -2.082 22.787 -29.752 1.00 0.00 C ATOM 913 NZ LYS A 60 -2.417 24.178 -30.173 1.00 0.00 N ATOM 0 H LYS A 60 0.638 20.501 -30.915 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.051 19.287 -32.809 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.466 21.919 -32.829 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.762 21.480 -33.999 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.914 22.823 -32.458 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.359 21.192 -31.997 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.684 21.213 -30.186 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.141 22.806 -30.676 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.983 22.175 -29.783 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.738 22.797 -28.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.032 24.618 -29.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.542 24.733 -30.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.911 24.154 -31.088 1.00 0.00 H new ATOM 927 N GLU A 61 2.118 19.630 -33.633 1.00 0.00 N ATOM 928 CA GLU A 61 3.132 19.265 -34.616 1.00 0.00 C ATOM 929 C GLU A 61 3.382 17.760 -34.615 1.00 0.00 C ATOM 930 O GLU A 61 3.573 17.158 -35.674 1.00 0.00 O ATOM 931 CB GLU A 61 4.432 20.031 -34.354 1.00 0.00 C ATOM 932 CG GLU A 61 4.959 19.876 -32.939 1.00 0.00 C ATOM 933 CD GLU A 61 6.205 20.691 -32.683 1.00 0.00 C ATOM 934 OE1 GLU A 61 6.081 21.889 -32.349 1.00 0.00 O ATOM 935 OE2 GLU A 61 7.317 20.137 -32.804 1.00 0.00 O ATOM 0 H GLU A 61 2.483 20.097 -32.803 1.00 0.00 H new ATOM 0 HA GLU A 61 2.761 19.541 -35.603 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.193 19.688 -35.055 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.267 21.089 -34.556 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.184 20.175 -32.233 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.174 18.824 -32.750 1.00 0.00 H new ATOM 942 N ASP A 62 3.361 17.152 -33.432 1.00 0.00 N ATOM 943 CA ASP A 62 3.558 15.712 -33.315 1.00 0.00 C ATOM 944 C ASP A 62 2.447 14.957 -34.026 1.00 0.00 C ATOM 945 O ASP A 62 2.714 14.022 -34.779 1.00 0.00 O ATOM 946 CB ASP A 62 3.626 15.279 -31.846 1.00 0.00 C ATOM 947 CG ASP A 62 4.961 15.602 -31.205 1.00 0.00 C ATOM 948 OD1 ASP A 62 5.960 14.931 -31.530 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.013 16.520 -30.363 1.00 0.00 O ATOM 0 H ASP A 62 3.210 17.632 -32.545 1.00 0.00 H new ATOM 0 HA ASP A 62 4.509 15.471 -33.790 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.830 15.773 -31.288 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.445 14.206 -31.778 1.00 0.00 H new ATOM 954 N LEU A 63 1.206 15.381 -33.806 1.00 0.00 N ATOM 955 CA LEU A 63 0.060 14.734 -34.434 1.00 0.00 C ATOM 956 C LEU A 63 0.203 14.733 -35.950 1.00 0.00 C ATOM 957 O LEU A 63 0.066 13.693 -36.589 1.00 0.00 O ATOM 958 CB LEU A 63 -1.246 15.427 -34.039 1.00 0.00 C ATOM 959 CG LEU A 63 -1.609 15.355 -32.557 1.00 0.00 C ATOM 960 CD1 LEU A 63 -2.987 15.953 -32.327 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.561 13.919 -32.059 1.00 0.00 C ATOM 0 H LEU A 63 0.969 16.167 -33.200 1.00 0.00 H new ATOM 0 HA LEU A 63 0.030 13.703 -34.081 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.182 16.476 -34.328 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.059 14.986 -34.616 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.877 15.933 -31.993 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.236 15.897 -31.267 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.989 16.996 -32.645 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.726 15.396 -32.903 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.823 13.892 -31.001 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.270 13.314 -32.624 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.556 13.520 -32.194 1.00 0.00 H new ATOM 973 N ALA A 64 0.504 15.897 -36.515 1.00 0.00 N ATOM 974 CA ALA A 64 0.658 16.033 -37.961 1.00 0.00 C ATOM 975 C ALA A 64 1.743 15.102 -38.501 1.00 0.00 C ATOM 976 O ALA A 64 1.567 14.455 -39.539 1.00 0.00 O ATOM 977 CB ALA A 64 0.970 17.477 -38.320 1.00 0.00 C ATOM 0 H ALA A 64 0.647 16.762 -35.994 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.284 15.745 -38.427 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.083 17.567 -39.400 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.155 18.119 -37.985 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.896 17.781 -37.832 1.00 0.00 H new ATOM 983 N GLU A 65 2.858 15.027 -37.785 1.00 0.00 N ATOM 984 CA GLU A 65 3.969 14.180 -38.193 1.00 0.00 C ATOM 985 C GLU A 65 3.566 12.707 -38.129 1.00 0.00 C ATOM 986 O GLU A 65 3.807 11.943 -39.065 1.00 0.00 O ATOM 987 CB GLU A 65 5.184 14.434 -37.297 1.00 0.00 C ATOM 988 CG GLU A 65 6.446 13.735 -37.781 1.00 0.00 C ATOM 989 CD GLU A 65 7.673 14.104 -36.976 1.00 0.00 C ATOM 990 OE1 GLU A 65 8.256 15.182 -37.233 1.00 0.00 O ATOM 991 OE2 GLU A 65 8.074 13.319 -36.093 1.00 0.00 O ATOM 0 H GLU A 65 3.016 15.543 -36.919 1.00 0.00 H new ATOM 0 HA GLU A 65 4.234 14.425 -39.222 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.369 15.507 -37.243 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.957 14.099 -36.285 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.298 12.656 -37.733 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.616 13.987 -38.828 1.00 0.00 H new ATOM 998 N TYR A 66 2.926 12.330 -37.027 1.00 0.00 N ATOM 999 CA TYR A 66 2.495 10.956 -36.818 1.00 0.00 C ATOM 1000 C TYR A 66 1.417 10.557 -37.818 1.00 0.00 C ATOM 1001 O TYR A 66 1.361 9.407 -38.239 1.00 0.00 O ATOM 1002 CB TYR A 66 2.007 10.743 -35.379 1.00 0.00 C ATOM 1003 CG TYR A 66 3.101 10.893 -34.344 1.00 0.00 C ATOM 1004 CD1 TYR A 66 4.405 10.501 -34.621 1.00 0.00 C ATOM 1005 CD2 TYR A 66 2.831 11.436 -33.095 1.00 0.00 C ATOM 1006 CE1 TYR A 66 5.409 10.642 -33.682 1.00 0.00 C ATOM 1007 CE2 TYR A 66 3.830 11.583 -32.149 1.00 0.00 C ATOM 1008 CZ TYR A 66 5.117 11.184 -32.447 1.00 0.00 C ATOM 1009 OH TYR A 66 6.117 11.336 -31.511 1.00 0.00 O ATOM 0 H TYR A 66 2.694 12.963 -36.261 1.00 0.00 H new ATOM 0 HA TYR A 66 3.359 10.312 -36.981 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.213 11.458 -35.163 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.572 9.747 -35.295 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.638 10.079 -35.587 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.825 11.749 -32.858 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.417 10.330 -33.913 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.604 12.008 -31.182 1.00 0.00 H new ATOM 0 HH TYR A 66 5.745 11.733 -30.696 1.00 0.00 H new ATOM 1019 N TYR A 67 0.556 11.503 -38.189 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.437 11.267 -39.235 1.00 0.00 C ATOM 1021 C TYR A 67 0.223 10.717 -40.495 1.00 0.00 C ATOM 1022 O TYR A 67 -0.172 9.666 -41.005 1.00 0.00 O ATOM 1023 CB TYR A 67 -1.186 12.554 -39.586 1.00 0.00 C ATOM 1024 CG TYR A 67 -2.546 12.688 -38.939 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -3.664 12.112 -39.524 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -2.716 13.397 -37.760 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -4.913 12.235 -38.952 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -3.962 13.527 -37.182 1.00 0.00 C ATOM 1029 CZ TYR A 67 -5.057 12.943 -37.781 1.00 0.00 C ATOM 1030 OH TYR A 67 -6.299 13.075 -37.208 1.00 0.00 O ATOM 0 H TYR A 67 0.526 12.438 -37.782 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.146 10.536 -38.848 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.573 13.407 -39.293 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.307 12.605 -40.668 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.555 11.557 -40.444 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.860 13.855 -37.287 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.773 11.779 -39.420 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.079 14.084 -36.264 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.363 13.946 -36.763 1.00 0.00 H new ATOM 1040 N GLU A 68 1.243 11.418 -40.980 1.00 0.00 N ATOM 1041 CA GLU A 68 1.920 11.013 -42.206 1.00 0.00 C ATOM 1042 C GLU A 68 2.676 9.702 -41.997 1.00 0.00 C ATOM 1043 O GLU A 68 2.730 8.862 -42.895 1.00 0.00 O ATOM 1044 CB GLU A 68 2.881 12.108 -42.683 1.00 0.00 C ATOM 1045 CG GLU A 68 3.448 11.833 -44.069 1.00 0.00 C ATOM 1046 CD GLU A 68 4.400 12.908 -44.552 1.00 0.00 C ATOM 1047 OE1 GLU A 68 3.927 13.965 -45.023 1.00 0.00 O ATOM 1048 OE2 GLU A 68 5.629 12.701 -44.468 1.00 0.00 O ATOM 0 H GLU A 68 1.616 12.263 -40.547 1.00 0.00 H new ATOM 0 HA GLU A 68 1.162 10.859 -42.974 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.359 13.065 -42.692 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.702 12.200 -41.971 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.968 10.875 -44.057 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.626 11.740 -44.778 1.00 0.00 H new ATOM 1055 N GLU A 69 3.249 9.531 -40.809 1.00 0.00 N ATOM 1056 CA GLU A 69 4.016 8.343 -40.484 1.00 0.00 C ATOM 1057 C GLU A 69 3.126 7.107 -40.414 1.00 0.00 C ATOM 1058 O GLU A 69 3.372 6.105 -41.089 1.00 0.00 O ATOM 1059 CB GLU A 69 4.721 8.536 -39.143 1.00 0.00 C ATOM 1060 CG GLU A 69 5.763 7.476 -38.868 1.00 0.00 C ATOM 1061 CD GLU A 69 6.509 7.692 -37.569 1.00 0.00 C ATOM 1062 OE1 GLU A 69 6.043 7.210 -36.517 1.00 0.00 O ATOM 1063 OE2 GLU A 69 7.584 8.326 -37.599 1.00 0.00 O ATOM 0 H GLU A 69 3.192 10.211 -40.051 1.00 0.00 H new ATOM 0 HA GLU A 69 4.751 8.191 -41.275 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.195 9.517 -39.125 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.980 8.526 -38.344 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.280 6.499 -38.843 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.478 7.457 -39.691 1.00 0.00 H new ATOM 1070 N ALA A 70 2.089 7.194 -39.596 1.00 0.00 N ATOM 1071 CA ALA A 70 1.182 6.072 -39.370 1.00 0.00 C ATOM 1072 C ALA A 70 0.398 5.712 -40.628 1.00 0.00 C ATOM 1073 O ALA A 70 -0.148 4.614 -40.737 1.00 0.00 O ATOM 1074 CB ALA A 70 0.229 6.384 -38.228 1.00 0.00 C ATOM 0 H ALA A 70 1.851 8.036 -39.072 1.00 0.00 H new ATOM 0 HA ALA A 70 1.791 5.208 -39.103 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.441 5.538 -38.072 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.800 6.568 -37.318 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.357 7.270 -38.474 1.00 0.00 H new ATOM 1080 N GLY A 71 0.346 6.637 -41.575 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.360 6.383 -42.812 1.00 0.00 C ATOM 1082 C GLY A 71 -1.819 6.762 -42.718 1.00 0.00 C ATOM 1083 O GLY A 71 -2.699 6.002 -43.121 1.00 0.00 O ATOM 0 H GLY A 71 0.780 7.558 -41.508 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.109 6.945 -43.619 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.275 5.327 -43.068 1.00 0.00 H new