USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 1.19 (180deg=0.132) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 41:sc= 0.0723 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= -0.0322 (180deg=-0.0322) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.27) USER MOD Single : A 19 GLN : amide:sc= 0.736 K(o=0.74,f=-0.12) USER MOD Single : A 20 MET CE :methyl -149:sc= 0 (180deg=-0.278) USER MOD Single : A 22 THR OG1 : rot -4:sc= 0.189 USER MOD Single : A 23 TYR OH : rot 19:sc= 1.29 USER MOD Single : A 32 GLN :FLIP amide:sc=0.000169 F(o=-0.51,f=0.00017) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 159:sc= -0.0921 (180deg=-0.622) USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= -0.0848 (180deg=-1.42) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -50:sc= 0.467 USER MOD Single : A 53 MET CE :methyl -142:sc= -0.207 (180deg=-1.73) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 150:sc= -0.0916 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.871 7.100 -12.644 1.00 0.00 N ATOM 2 CA MET A 1 -13.721 7.237 -14.087 1.00 0.00 C ATOM 3 C MET A 1 -13.021 8.547 -14.434 1.00 0.00 C ATOM 4 O MET A 1 -13.656 9.510 -14.861 1.00 0.00 O ATOM 5 CB MET A 1 -15.082 7.170 -14.793 1.00 0.00 C ATOM 6 CG MET A 1 -15.853 5.882 -14.540 1.00 0.00 C ATOM 7 SD MET A 1 -16.532 5.787 -12.869 1.00 0.00 S ATOM 8 CE MET A 1 -17.248 4.144 -12.896 1.00 0.00 C ATOM 0 H1 MET A 1 -13.194 6.395 -12.290 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.687 8.016 -12.187 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.839 6.791 -12.423 1.00 0.00 H new ATOM 0 HA MET A 1 -13.109 6.405 -14.436 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.690 8.014 -14.467 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.928 7.283 -15.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.666 5.803 -15.262 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.193 5.031 -14.708 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.709 3.932 -11.931 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.004 4.089 -13.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.467 3.410 -13.094 1.00 0.00 H new ATOM 18 N SER A 2 -11.717 8.576 -14.213 1.00 0.00 N ATOM 19 CA SER A 2 -10.899 9.743 -14.494 1.00 0.00 C ATOM 20 C SER A 2 -9.489 9.304 -14.867 1.00 0.00 C ATOM 21 O SER A 2 -9.160 8.118 -14.802 1.00 0.00 O ATOM 22 CB SER A 2 -10.850 10.676 -13.276 1.00 0.00 C ATOM 23 OG SER A 2 -12.139 11.166 -12.949 1.00 0.00 O ATOM 0 H SER A 2 -11.194 7.787 -13.832 1.00 0.00 H new ATOM 0 HA SER A 2 -11.342 10.287 -15.328 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.435 10.141 -12.422 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.183 11.513 -13.483 1.00 0.00 H new ATOM 0 HG SER A 2 -12.077 11.756 -12.169 1.00 0.00 H new ATOM 29 N THR A 3 -8.667 10.263 -15.256 1.00 0.00 N ATOM 30 CA THR A 3 -7.281 10.001 -15.596 1.00 0.00 C ATOM 31 C THR A 3 -6.413 9.932 -14.341 1.00 0.00 C ATOM 32 O THR A 3 -6.350 10.884 -13.564 1.00 0.00 O ATOM 33 CB THR A 3 -6.755 11.094 -16.543 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.189 12.386 -16.082 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.259 10.853 -17.957 1.00 0.00 C ATOM 0 H THR A 3 -8.941 11.242 -15.345 1.00 0.00 H new ATOM 0 HA THR A 3 -7.229 9.035 -16.099 1.00 0.00 H new ATOM 0 HB THR A 3 -5.666 11.061 -16.549 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.116 12.426 -15.106 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.879 11.633 -18.617 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.911 9.881 -18.307 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.349 10.871 -17.963 1.00 0.00 H new ATOM 43 N TYR A 4 -5.758 8.795 -14.135 1.00 0.00 N ATOM 44 CA TYR A 4 -4.924 8.611 -12.951 1.00 0.00 C ATOM 45 C TYR A 4 -3.447 8.817 -13.263 1.00 0.00 C ATOM 46 O TYR A 4 -2.590 8.611 -12.403 1.00 0.00 O ATOM 47 CB TYR A 4 -5.151 7.228 -12.337 1.00 0.00 C ATOM 48 CG TYR A 4 -6.386 7.156 -11.471 1.00 0.00 C ATOM 49 CD1 TYR A 4 -6.349 7.603 -10.158 1.00 0.00 C ATOM 50 CD2 TYR A 4 -7.584 6.653 -11.965 1.00 0.00 C ATOM 51 CE1 TYR A 4 -7.470 7.550 -9.354 1.00 0.00 C ATOM 52 CE2 TYR A 4 -8.713 6.599 -11.167 1.00 0.00 C ATOM 53 CZ TYR A 4 -8.649 7.048 -9.863 1.00 0.00 C ATOM 54 OH TYR A 4 -9.768 7.001 -9.062 1.00 0.00 O ATOM 0 H TYR A 4 -5.787 7.993 -14.765 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.219 9.369 -12.226 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.233 6.492 -13.137 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.281 6.955 -11.740 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.427 7.999 -9.758 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.634 6.300 -12.984 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.424 7.899 -8.333 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.639 6.208 -11.562 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.517 6.622 -9.568 1.00 0.00 H new ATOM 64 N ASP A 5 -3.152 9.240 -14.483 1.00 0.00 N ATOM 65 CA ASP A 5 -1.777 9.520 -14.885 1.00 0.00 C ATOM 66 C ASP A 5 -1.785 10.385 -16.140 1.00 0.00 C ATOM 67 O ASP A 5 -2.846 10.613 -16.721 1.00 0.00 O ATOM 68 CB ASP A 5 -1.006 8.218 -15.136 1.00 0.00 C ATOM 69 CG ASP A 5 0.483 8.374 -14.891 1.00 0.00 C ATOM 70 OD1 ASP A 5 1.186 8.928 -15.761 1.00 0.00 O ATOM 71 OD2 ASP A 5 0.956 7.953 -13.816 1.00 0.00 O ATOM 0 H ASP A 5 -3.845 9.398 -15.214 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.274 10.055 -14.080 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.399 7.435 -14.487 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.171 7.893 -16.163 1.00 0.00 H new ATOM 76 N GLU A 6 -0.620 10.861 -16.556 1.00 0.00 N ATOM 77 CA GLU A 6 -0.522 11.742 -17.713 1.00 0.00 C ATOM 78 C GLU A 6 0.860 11.625 -18.345 1.00 0.00 C ATOM 79 O GLU A 6 1.859 12.030 -17.747 1.00 0.00 O ATOM 80 CB GLU A 6 -0.801 13.192 -17.306 1.00 0.00 C ATOM 81 CG GLU A 6 -0.815 14.168 -18.474 1.00 0.00 C ATOM 82 CD GLU A 6 -1.100 15.594 -18.047 1.00 0.00 C ATOM 83 OE1 GLU A 6 -2.248 15.887 -17.661 1.00 0.00 O ATOM 84 OE2 GLU A 6 -0.166 16.426 -18.080 1.00 0.00 O ATOM 0 H GLU A 6 0.273 10.652 -16.109 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.270 11.440 -18.446 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.763 13.237 -16.796 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.044 13.510 -16.589 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.148 14.132 -18.983 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.569 13.853 -19.196 1.00 0.00 H new ATOM 91 N ILE A 7 0.913 11.062 -19.543 1.00 0.00 N ATOM 92 CA ILE A 7 2.182 10.845 -20.234 1.00 0.00 C ATOM 93 C ILE A 7 2.218 11.652 -21.523 1.00 0.00 C ATOM 94 O ILE A 7 1.180 11.917 -22.121 1.00 0.00 O ATOM 95 CB ILE A 7 2.416 9.351 -20.586 1.00 0.00 C ATOM 96 CG1 ILE A 7 2.121 8.444 -19.396 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.838 9.118 -21.061 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.686 7.996 -19.342 1.00 0.00 C ATOM 0 H ILE A 7 0.093 10.746 -20.060 1.00 0.00 H new ATOM 0 HA ILE A 7 2.969 11.166 -19.552 1.00 0.00 H new ATOM 0 HB ILE A 7 1.727 9.102 -21.393 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.768 7.568 -19.444 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.367 8.971 -18.474 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.973 8.063 -21.300 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.028 9.719 -21.950 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.536 9.404 -20.274 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.538 7.354 -18.474 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.036 8.867 -19.264 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.443 7.442 -20.249 1.00 0.00 H new ATOM 110 N GLU A 8 3.405 12.048 -21.950 1.00 0.00 N ATOM 111 CA GLU A 8 3.551 12.765 -23.205 1.00 0.00 C ATOM 112 C GLU A 8 3.482 11.799 -24.386 1.00 0.00 C ATOM 113 O GLU A 8 3.867 10.631 -24.273 1.00 0.00 O ATOM 114 CB GLU A 8 4.861 13.545 -23.224 1.00 0.00 C ATOM 115 CG GLU A 8 4.987 14.531 -22.077 1.00 0.00 C ATOM 116 CD GLU A 8 6.303 15.277 -22.090 1.00 0.00 C ATOM 117 OE1 GLU A 8 7.361 14.616 -22.175 1.00 0.00 O ATOM 118 OE2 GLU A 8 6.288 16.522 -22.014 1.00 0.00 O ATOM 0 H GLU A 8 4.278 11.886 -21.448 1.00 0.00 H new ATOM 0 HA GLU A 8 2.728 13.474 -23.295 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.694 12.844 -23.185 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.942 14.084 -24.168 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.167 15.248 -22.128 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.886 13.997 -21.132 1.00 0.00 H new ATOM 125 N ILE A 9 2.991 12.300 -25.515 1.00 0.00 N ATOM 126 CA ILE A 9 2.799 11.499 -26.721 1.00 0.00 C ATOM 127 C ILE A 9 4.114 10.877 -27.210 1.00 0.00 C ATOM 128 O ILE A 9 4.114 9.806 -27.817 1.00 0.00 O ATOM 129 CB ILE A 9 2.150 12.349 -27.844 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.824 11.485 -29.064 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.054 13.512 -28.233 1.00 0.00 C ATOM 132 CD1 ILE A 9 0.982 12.191 -30.104 1.00 0.00 C ATOM 0 H ILE A 9 2.714 13.276 -25.621 1.00 0.00 H new ATOM 0 HA ILE A 9 2.125 10.682 -26.464 1.00 0.00 H new ATOM 0 HB ILE A 9 1.215 12.758 -27.460 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.756 11.158 -29.525 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.300 10.588 -28.733 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.578 14.094 -29.022 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.223 14.148 -27.364 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.009 13.127 -28.591 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.792 11.516 -30.938 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.034 12.494 -29.660 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.512 13.072 -30.464 1.00 0.00 H new ATOM 144 N GLU A 10 5.228 11.545 -26.929 1.00 0.00 N ATOM 145 CA GLU A 10 6.543 11.054 -27.333 1.00 0.00 C ATOM 146 C GLU A 10 6.931 9.795 -26.556 1.00 0.00 C ATOM 147 O GLU A 10 7.656 8.941 -27.066 1.00 0.00 O ATOM 148 CB GLU A 10 7.607 12.134 -27.118 1.00 0.00 C ATOM 149 CG GLU A 10 7.313 13.442 -27.831 1.00 0.00 C ATOM 150 CD GLU A 10 8.455 14.431 -27.706 1.00 0.00 C ATOM 151 OE1 GLU A 10 8.713 14.911 -26.583 1.00 0.00 O ATOM 152 OE2 GLU A 10 9.113 14.719 -28.731 1.00 0.00 O ATOM 0 H GLU A 10 5.247 12.430 -26.422 1.00 0.00 H new ATOM 0 HA GLU A 10 6.488 10.804 -28.392 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.702 12.328 -26.050 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.570 11.754 -27.460 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.120 13.244 -28.885 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.406 13.883 -27.418 1.00 0.00 H new ATOM 159 N ASP A 11 6.440 9.685 -25.323 1.00 0.00 N ATOM 160 CA ASP A 11 6.782 8.552 -24.462 1.00 0.00 C ATOM 161 C ASP A 11 5.867 7.371 -24.754 1.00 0.00 C ATOM 162 O ASP A 11 6.291 6.212 -24.695 1.00 0.00 O ATOM 163 CB ASP A 11 6.688 8.953 -22.987 1.00 0.00 C ATOM 164 CG ASP A 11 7.187 7.870 -22.045 1.00 0.00 C ATOM 165 OD1 ASP A 11 8.411 7.633 -22.005 1.00 0.00 O ATOM 166 OD2 ASP A 11 6.368 7.274 -21.317 1.00 0.00 O ATOM 0 H ASP A 11 5.807 10.363 -24.898 1.00 0.00 H new ATOM 0 HA ASP A 11 7.809 8.254 -24.672 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.267 9.862 -22.826 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.651 9.188 -22.745 1.00 0.00 H new ATOM 171 N MET A 12 4.606 7.679 -25.053 1.00 0.00 N ATOM 172 CA MET A 12 3.652 6.697 -25.542 1.00 0.00 C ATOM 173 C MET A 12 4.242 5.885 -26.697 1.00 0.00 C ATOM 174 O MET A 12 4.955 6.420 -27.548 1.00 0.00 O ATOM 175 CB MET A 12 2.392 7.411 -26.024 1.00 0.00 C ATOM 176 CG MET A 12 1.179 6.537 -26.030 1.00 0.00 C ATOM 177 SD MET A 12 0.702 6.062 -24.372 1.00 0.00 S ATOM 178 CE MET A 12 -0.986 5.660 -24.707 1.00 0.00 C ATOM 0 H MET A 12 4.221 8.619 -24.961 1.00 0.00 H new ATOM 0 HA MET A 12 3.412 6.016 -24.726 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.206 8.274 -25.385 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.562 7.791 -27.031 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.354 7.062 -26.510 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.376 5.644 -26.623 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.472 5.335 -23.787 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.499 6.539 -25.097 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.030 4.858 -25.444 1.00 0.00 H new ATOM 188 N THR A 13 3.939 4.599 -26.728 1.00 0.00 N ATOM 189 CA THR A 13 4.451 3.724 -27.769 1.00 0.00 C ATOM 190 C THR A 13 3.519 3.747 -28.978 1.00 0.00 C ATOM 191 O THR A 13 2.403 3.229 -28.928 1.00 0.00 O ATOM 192 CB THR A 13 4.598 2.280 -27.259 1.00 0.00 C ATOM 193 OG1 THR A 13 5.302 2.276 -26.009 1.00 0.00 O ATOM 194 CG2 THR A 13 5.347 1.425 -28.266 1.00 0.00 C ATOM 0 H THR A 13 3.340 4.137 -26.044 1.00 0.00 H new ATOM 0 HA THR A 13 5.436 4.089 -28.060 1.00 0.00 H new ATOM 0 HB THR A 13 3.601 1.862 -27.121 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.392 1.355 -25.687 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.439 0.408 -27.883 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.800 1.410 -29.209 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.341 1.842 -28.430 1.00 0.00 H new ATOM 202 N PHE A 14 3.974 4.361 -30.056 1.00 0.00 N ATOM 203 CA PHE A 14 3.160 4.488 -31.253 1.00 0.00 C ATOM 204 C PHE A 14 3.068 3.158 -31.987 1.00 0.00 C ATOM 205 O PHE A 14 4.053 2.432 -32.107 1.00 0.00 O ATOM 206 CB PHE A 14 3.722 5.572 -32.184 1.00 0.00 C ATOM 207 CG PHE A 14 5.161 5.371 -32.582 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.188 5.820 -31.765 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.485 4.742 -33.775 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.510 5.642 -32.130 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.804 4.564 -34.144 1.00 0.00 C ATOM 212 CZ PHE A 14 7.818 5.014 -33.320 1.00 0.00 C ATOM 0 H PHE A 14 4.902 4.779 -30.128 1.00 0.00 H new ATOM 0 HA PHE A 14 2.157 4.784 -30.946 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.111 5.611 -33.086 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.626 6.540 -31.693 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.953 6.314 -30.834 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.697 4.387 -34.423 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.301 5.994 -31.484 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.043 4.073 -35.076 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.850 4.875 -33.607 1.00 0.00 H new ATOM 222 N GLU A 15 1.872 2.841 -32.455 1.00 0.00 N ATOM 223 CA GLU A 15 1.641 1.633 -33.223 1.00 0.00 C ATOM 224 C GLU A 15 1.222 2.000 -34.642 1.00 0.00 C ATOM 225 O GLU A 15 0.042 2.237 -34.916 1.00 0.00 O ATOM 226 CB GLU A 15 0.577 0.757 -32.548 1.00 0.00 C ATOM 227 CG GLU A 15 0.320 -0.563 -33.262 1.00 0.00 C ATOM 228 CD GLU A 15 1.570 -1.414 -33.401 1.00 0.00 C ATOM 229 OE1 GLU A 15 2.446 -1.342 -32.510 1.00 0.00 O ATOM 230 OE2 GLU A 15 1.680 -2.155 -34.399 1.00 0.00 O ATOM 0 H GLU A 15 1.039 3.412 -32.313 1.00 0.00 H new ATOM 0 HA GLU A 15 2.566 1.058 -33.267 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.887 0.550 -31.524 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.357 1.316 -32.491 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.437 -1.125 -32.714 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.088 -0.361 -34.253 1.00 0.00 H new ATOM 237 N PRO A 16 2.195 2.063 -35.562 1.00 0.00 N ATOM 238 CA PRO A 16 1.959 2.516 -36.935 1.00 0.00 C ATOM 239 C PRO A 16 1.112 1.534 -37.734 1.00 0.00 C ATOM 240 O PRO A 16 0.465 1.908 -38.704 1.00 0.00 O ATOM 241 CB PRO A 16 3.365 2.624 -37.525 1.00 0.00 C ATOM 242 CG PRO A 16 4.193 1.681 -36.722 1.00 0.00 C ATOM 243 CD PRO A 16 3.607 1.691 -35.337 1.00 0.00 C ATOM 0 HA PRO A 16 1.402 3.453 -36.963 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.372 2.354 -38.581 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.746 3.643 -37.454 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.168 0.679 -37.149 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.237 1.994 -36.706 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.694 0.716 -34.858 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.113 2.409 -34.692 1.00 0.00 H new ATOM 251 N GLU A 17 1.100 0.282 -37.301 1.00 0.00 N ATOM 252 CA GLU A 17 0.365 -0.758 -38.005 1.00 0.00 C ATOM 253 C GLU A 17 -1.133 -0.661 -37.720 1.00 0.00 C ATOM 254 O GLU A 17 -1.947 -1.208 -38.460 1.00 0.00 O ATOM 255 CB GLU A 17 0.890 -2.140 -37.609 1.00 0.00 C ATOM 256 CG GLU A 17 2.402 -2.278 -37.730 1.00 0.00 C ATOM 257 CD GLU A 17 2.910 -1.971 -39.122 1.00 0.00 C ATOM 258 OE1 GLU A 17 2.823 -2.853 -40.001 1.00 0.00 O ATOM 259 OE2 GLU A 17 3.418 -0.854 -39.342 1.00 0.00 O ATOM 0 H GLU A 17 1.591 -0.038 -36.466 1.00 0.00 H new ATOM 0 HA GLU A 17 0.517 -0.614 -39.075 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.596 -2.350 -36.581 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.414 -2.893 -38.237 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.882 -1.607 -37.017 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.692 -3.293 -37.458 1.00 0.00 H new ATOM 266 N ASN A 18 -1.497 0.031 -36.645 1.00 0.00 N ATOM 267 CA ASN A 18 -2.903 0.187 -36.284 1.00 0.00 C ATOM 268 C ASN A 18 -3.333 1.653 -36.351 1.00 0.00 C ATOM 269 O ASN A 18 -4.515 1.965 -36.206 1.00 0.00 O ATOM 270 CB ASN A 18 -3.147 -0.358 -34.879 1.00 0.00 C ATOM 271 CG ASN A 18 -4.587 -0.774 -34.670 1.00 0.00 C ATOM 272 OD1 ASN A 18 -5.425 0.003 -34.221 1.00 0.00 O ATOM 273 ND2 ASN A 18 -4.874 -2.014 -35.005 1.00 0.00 N ATOM 0 H ASN A 18 -0.843 0.490 -36.012 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.498 -0.377 -37.002 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.494 -1.213 -34.704 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.880 0.402 -34.145 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.826 -2.365 -34.895 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.145 -2.624 -35.374 1.00 0.00 H new ATOM 280 N GLN A 19 -2.362 2.542 -36.579 1.00 0.00 N ATOM 281 CA GLN A 19 -2.609 3.989 -36.639 1.00 0.00 C ATOM 282 C GLN A 19 -3.087 4.523 -35.285 1.00 0.00 C ATOM 283 O GLN A 19 -3.989 5.363 -35.220 1.00 0.00 O ATOM 284 CB GLN A 19 -3.638 4.346 -37.727 1.00 0.00 C ATOM 285 CG GLN A 19 -3.149 4.190 -39.165 1.00 0.00 C ATOM 286 CD GLN A 19 -3.198 2.759 -39.669 1.00 0.00 C ATOM 287 OE1 GLN A 19 -4.218 2.311 -40.190 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.096 2.043 -39.554 1.00 0.00 N ATOM 0 H GLN A 19 -1.387 2.283 -36.727 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.660 4.461 -36.894 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.519 3.719 -37.590 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.955 5.378 -37.579 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.756 4.818 -39.817 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.125 4.556 -39.234 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.268 2.447 -39.116 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.072 1.085 -39.903 1.00 0.00 H new ATOM 297 N MET A 20 -2.461 4.060 -34.205 1.00 0.00 N ATOM 298 CA MET A 20 -2.842 4.485 -32.860 1.00 0.00 C ATOM 299 C MET A 20 -1.643 4.420 -31.921 1.00 0.00 C ATOM 300 O MET A 20 -0.574 3.953 -32.307 1.00 0.00 O ATOM 301 CB MET A 20 -3.975 3.607 -32.310 1.00 0.00 C ATOM 302 CG MET A 20 -3.562 2.171 -32.029 1.00 0.00 C ATOM 303 SD MET A 20 -4.879 1.217 -31.249 1.00 0.00 S ATOM 304 CE MET A 20 -4.075 -0.373 -31.070 1.00 0.00 C ATOM 0 H MET A 20 -1.690 3.393 -34.235 1.00 0.00 H new ATOM 0 HA MET A 20 -3.194 5.515 -32.921 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.352 4.053 -31.390 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.799 3.605 -33.024 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.273 1.690 -32.963 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.684 2.168 -31.384 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.819 -1.167 -31.140 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.336 -0.498 -31.861 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.580 -0.423 -30.100 1.00 0.00 H new ATOM 314 N PHE A 21 -1.818 4.894 -30.696 1.00 0.00 N ATOM 315 CA PHE A 21 -0.768 4.811 -29.688 1.00 0.00 C ATOM 316 C PHE A 21 -1.141 3.812 -28.606 1.00 0.00 C ATOM 317 O PHE A 21 -2.320 3.619 -28.300 1.00 0.00 O ATOM 318 CB PHE A 21 -0.486 6.178 -29.057 1.00 0.00 C ATOM 319 CG PHE A 21 0.331 7.096 -29.920 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.225 7.715 -31.024 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.664 7.336 -29.624 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.530 8.557 -31.818 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.423 8.175 -30.413 1.00 0.00 C ATOM 324 CZ PHE A 21 1.855 8.786 -31.511 1.00 0.00 C ATOM 0 H PHE A 21 -2.677 5.340 -30.375 1.00 0.00 H new ATOM 0 HA PHE A 21 0.138 4.473 -30.190 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.435 6.662 -28.827 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.034 6.029 -28.110 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.262 7.538 -31.269 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.114 6.860 -28.765 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.083 9.035 -32.677 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.460 8.353 -30.171 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.447 9.443 -32.130 1.00 0.00 H new ATOM 334 N THR A 22 -0.131 3.179 -28.034 1.00 0.00 N ATOM 335 CA THR A 22 -0.330 2.192 -26.988 1.00 0.00 C ATOM 336 C THR A 22 0.699 2.381 -25.881 1.00 0.00 C ATOM 337 O THR A 22 1.735 3.010 -26.095 1.00 0.00 O ATOM 338 CB THR A 22 -0.223 0.754 -27.543 1.00 0.00 C ATOM 339 OG1 THR A 22 1.007 0.594 -28.264 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.397 0.431 -28.458 1.00 0.00 C ATOM 0 H THR A 22 0.846 3.334 -28.281 1.00 0.00 H new ATOM 0 HA THR A 22 -1.333 2.336 -26.587 1.00 0.00 H new ATOM 0 HB THR A 22 -0.243 0.065 -26.699 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.476 1.453 -28.305 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.296 -0.587 -28.834 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.329 0.521 -27.900 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.408 1.128 -29.296 1.00 0.00 H new ATOM 348 N TYR A 23 0.415 1.856 -24.703 1.00 0.00 N ATOM 349 CA TYR A 23 1.358 1.929 -23.601 1.00 0.00 C ATOM 350 C TYR A 23 1.334 0.623 -22.818 1.00 0.00 C ATOM 351 O TYR A 23 0.264 0.120 -22.488 1.00 0.00 O ATOM 352 CB TYR A 23 1.028 3.112 -22.689 1.00 0.00 C ATOM 353 CG TYR A 23 2.225 3.659 -21.942 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.273 4.259 -22.630 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.309 3.582 -20.559 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.370 4.761 -21.963 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.405 4.083 -19.883 1.00 0.00 C ATOM 358 CZ TYR A 23 4.431 4.672 -20.589 1.00 0.00 C ATOM 359 OH TYR A 23 5.525 5.175 -19.919 1.00 0.00 O ATOM 0 H TYR A 23 -0.458 1.376 -24.485 1.00 0.00 H new ATOM 0 HA TYR A 23 2.360 2.082 -24.001 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.590 3.910 -23.289 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.271 2.803 -21.968 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.227 4.333 -23.706 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.505 3.123 -20.002 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.177 5.221 -22.514 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.457 4.013 -18.807 1.00 0.00 H new ATOM 0 HH TYR A 23 5.996 5.813 -20.494 1.00 0.00 H new ATOM 369 N PRO A 24 2.514 0.050 -22.539 1.00 0.00 N ATOM 370 CA PRO A 24 2.625 -1.245 -21.856 1.00 0.00 C ATOM 371 C PRO A 24 2.000 -1.249 -20.460 1.00 0.00 C ATOM 372 O PRO A 24 2.313 -0.403 -19.617 1.00 0.00 O ATOM 373 CB PRO A 24 4.137 -1.483 -21.769 1.00 0.00 C ATOM 374 CG PRO A 24 4.758 -0.142 -21.963 1.00 0.00 C ATOM 375 CD PRO A 24 3.836 0.607 -22.875 1.00 0.00 C ATOM 0 HA PRO A 24 2.086 -2.022 -22.397 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.413 -1.909 -20.804 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.469 -2.185 -22.534 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.873 0.377 -21.011 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.753 -0.231 -22.400 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.878 1.682 -22.698 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.087 0.447 -23.923 1.00 0.00 H new ATOM 383 N CYS A 25 1.118 -2.215 -20.240 1.00 0.00 N ATOM 384 CA CYS A 25 0.442 -2.397 -18.965 1.00 0.00 C ATOM 385 C CYS A 25 0.333 -3.888 -18.663 1.00 0.00 C ATOM 386 O CYS A 25 0.153 -4.697 -19.578 1.00 0.00 O ATOM 387 CB CYS A 25 -0.953 -1.762 -19.025 1.00 0.00 C ATOM 388 SG CYS A 25 -2.028 -2.113 -17.594 1.00 0.00 S ATOM 0 H CYS A 25 0.850 -2.899 -20.948 1.00 0.00 H new ATOM 0 HA CYS A 25 1.012 -1.913 -18.172 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.839 -0.682 -19.117 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.454 -2.108 -19.929 1.00 0.00 H new ATOM 393 N PRO A 26 0.507 -4.287 -17.397 1.00 0.00 N ATOM 394 CA PRO A 26 0.308 -5.660 -16.988 1.00 0.00 C ATOM 395 C PRO A 26 -1.122 -5.918 -16.521 1.00 0.00 C ATOM 396 O PRO A 26 -1.572 -5.368 -15.511 1.00 0.00 O ATOM 397 CB PRO A 26 1.292 -5.820 -15.823 1.00 0.00 C ATOM 398 CG PRO A 26 1.704 -4.430 -15.416 1.00 0.00 C ATOM 399 CD PRO A 26 0.933 -3.456 -16.275 1.00 0.00 C ATOM 0 HA PRO A 26 0.472 -6.364 -17.804 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.825 -6.345 -14.990 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.158 -6.408 -16.125 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.491 -4.261 -14.360 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.777 -4.294 -15.551 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.084 -3.029 -15.741 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.555 -2.623 -16.601 1.00 0.00 H new ATOM 407 N CYS A 27 -1.801 -6.808 -17.237 1.00 0.00 N ATOM 408 CA CYS A 27 -3.191 -7.155 -16.954 1.00 0.00 C ATOM 409 C CYS A 27 -3.678 -8.160 -17.991 1.00 0.00 C ATOM 410 O CYS A 27 -4.322 -9.163 -17.666 1.00 0.00 O ATOM 411 CB CYS A 27 -4.085 -5.903 -16.987 1.00 0.00 C ATOM 412 SG CYS A 27 -4.176 -5.092 -18.617 1.00 0.00 S ATOM 0 H CYS A 27 -1.404 -7.310 -18.031 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.248 -7.591 -15.957 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.092 -6.181 -16.675 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.712 -5.185 -16.257 1.00 0.00 H new ATOM 417 N GLY A 28 -3.344 -7.877 -19.238 1.00 0.00 N ATOM 418 CA GLY A 28 -3.739 -8.719 -20.343 1.00 0.00 C ATOM 419 C GLY A 28 -3.763 -7.941 -21.642 1.00 0.00 C ATOM 420 O GLY A 28 -3.706 -8.517 -22.726 1.00 0.00 O ATOM 0 H GLY A 28 -2.795 -7.061 -19.508 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.048 -9.557 -20.431 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.726 -9.139 -20.149 1.00 0.00 H new ATOM 424 N ASP A 29 -3.838 -6.625 -21.521 1.00 0.00 N ATOM 425 CA ASP A 29 -3.860 -5.736 -22.674 1.00 0.00 C ATOM 426 C ASP A 29 -3.007 -4.515 -22.359 1.00 0.00 C ATOM 427 O ASP A 29 -2.499 -4.388 -21.248 1.00 0.00 O ATOM 428 CB ASP A 29 -5.301 -5.321 -23.014 1.00 0.00 C ATOM 429 CG ASP A 29 -5.491 -4.960 -24.481 1.00 0.00 C ATOM 430 OD1 ASP A 29 -5.055 -3.871 -24.907 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.086 -5.774 -25.220 1.00 0.00 O ATOM 0 H ASP A 29 -3.885 -6.143 -20.623 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.455 -6.252 -23.544 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.977 -6.136 -22.757 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.581 -4.467 -22.397 1.00 0.00 H new ATOM 436 N ARG A 30 -2.804 -3.655 -23.342 1.00 0.00 N ATOM 437 CA ARG A 30 -2.047 -2.430 -23.135 1.00 0.00 C ATOM 438 C ARG A 30 -2.889 -1.212 -23.493 1.00 0.00 C ATOM 439 O ARG A 30 -3.790 -1.304 -24.333 1.00 0.00 O ATOM 440 CB ARG A 30 -0.725 -2.451 -23.923 1.00 0.00 C ATOM 441 CG ARG A 30 -0.730 -3.281 -25.205 1.00 0.00 C ATOM 442 CD ARG A 30 -1.385 -2.562 -26.375 1.00 0.00 C ATOM 443 NE ARG A 30 -2.814 -2.843 -26.476 1.00 0.00 N ATOM 444 CZ ARG A 30 -3.433 -3.131 -27.618 1.00 0.00 C ATOM 445 NH1 ARG A 30 -2.759 -3.136 -28.763 1.00 0.00 N ATOM 446 NH2 ARG A 30 -4.723 -3.418 -27.609 1.00 0.00 N ATOM 0 H ARG A 30 -3.152 -3.781 -24.292 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.792 -2.363 -22.077 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.459 -1.425 -24.178 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.060 -2.831 -23.269 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.296 -3.536 -25.470 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.254 -4.219 -25.022 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.236 -1.488 -26.266 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.893 -2.860 -27.301 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.370 -2.817 -25.621 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.762 -2.918 -28.769 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.238 -3.357 -29.636 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.239 -3.418 -26.729 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.202 -3.639 -28.482 1.00 0.00 H new ATOM 460 N PHE A 31 -2.595 -0.085 -22.839 1.00 0.00 N ATOM 461 CA PHE A 31 -3.326 1.164 -23.057 1.00 0.00 C ATOM 462 C PHE A 31 -3.466 1.450 -24.541 1.00 0.00 C ATOM 463 O PHE A 31 -2.477 1.455 -25.269 1.00 0.00 O ATOM 464 CB PHE A 31 -2.608 2.346 -22.396 1.00 0.00 C ATOM 465 CG PHE A 31 -2.441 2.222 -20.908 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.486 2.527 -20.055 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.233 1.813 -20.368 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.330 2.421 -18.688 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.072 1.708 -19.001 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.121 2.010 -18.161 1.00 0.00 C ATOM 0 H PHE A 31 -1.848 -0.013 -22.148 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.313 1.044 -22.609 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.624 2.457 -22.851 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.164 3.259 -22.611 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.432 2.851 -20.462 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.408 1.574 -21.023 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.153 2.659 -18.030 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.125 1.390 -18.591 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.998 1.926 -17.091 1.00 0.00 H new ATOM 480 N GLN A 32 -4.688 1.680 -24.989 1.00 0.00 N ATOM 481 CA GLN A 32 -4.944 1.929 -26.395 1.00 0.00 C ATOM 482 C GLN A 32 -5.748 3.212 -26.584 1.00 0.00 C ATOM 483 O GLN A 32 -6.663 3.504 -25.812 1.00 0.00 O ATOM 484 CB GLN A 32 -5.661 0.726 -27.014 1.00 0.00 C ATOM 485 CG GLN A 32 -6.949 0.341 -26.313 1.00 0.00 C ATOM 486 CD GLN A 32 -7.567 -0.912 -26.891 1.00 0.00 C ATOM 487 OE1 GLN A 32 -7.154 -2.061 -26.380 1.00 0.00 O flip ATOM 488 NE2 GLN A 32 -8.395 -0.854 -27.800 1.00 0.00 N flip ATOM 0 H GLN A 32 -5.519 1.699 -24.398 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.992 2.064 -26.908 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.881 0.947 -28.059 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.986 -0.130 -27.004 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.751 0.189 -25.252 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.661 1.163 -26.390 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.687 0.052 -28.166 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.789 -1.712 -28.187 1.00 0.00 H new ATOM 497 N ILE A 33 -5.374 3.989 -27.590 1.00 0.00 N ATOM 498 CA ILE A 33 -6.048 5.243 -27.888 1.00 0.00 C ATOM 499 C ILE A 33 -6.002 5.538 -29.384 1.00 0.00 C ATOM 500 O ILE A 33 -4.952 5.415 -30.017 1.00 0.00 O ATOM 501 CB ILE A 33 -5.426 6.419 -27.097 1.00 0.00 C ATOM 502 CG1 ILE A 33 -6.107 7.738 -27.469 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.923 6.505 -27.335 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.633 8.916 -26.652 1.00 0.00 C ATOM 0 H ILE A 33 -4.601 3.770 -28.218 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.088 5.137 -27.580 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.588 6.234 -26.035 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.929 7.944 -28.525 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.184 7.629 -27.343 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.512 7.340 -26.767 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.450 5.578 -27.011 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.731 6.659 -28.397 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.159 9.816 -26.971 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.836 8.732 -25.597 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.561 9.052 -26.797 1.00 0.00 H new ATOM 516 N TYR A 34 -7.144 5.909 -29.946 1.00 0.00 N ATOM 517 CA TYR A 34 -7.237 6.200 -31.369 1.00 0.00 C ATOM 518 C TYR A 34 -6.895 7.661 -31.640 1.00 0.00 C ATOM 519 O TYR A 34 -7.262 8.547 -30.866 1.00 0.00 O ATOM 520 CB TYR A 34 -8.641 5.885 -31.893 1.00 0.00 C ATOM 521 CG TYR A 34 -8.994 4.413 -31.868 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.593 3.568 -32.897 1.00 0.00 C ATOM 523 CD2 TYR A 34 -9.732 3.871 -30.824 1.00 0.00 C ATOM 524 CE1 TYR A 34 -8.917 2.223 -32.884 1.00 0.00 C ATOM 525 CE2 TYR A 34 -10.061 2.528 -30.805 1.00 0.00 C ATOM 526 CZ TYR A 34 -9.650 1.708 -31.836 1.00 0.00 C ATOM 527 OH TYR A 34 -9.983 0.369 -31.819 1.00 0.00 O ATOM 0 H TYR A 34 -8.021 6.016 -29.436 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.519 5.569 -31.892 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.371 6.433 -31.297 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.726 6.251 -32.916 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.019 3.968 -33.720 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.054 4.509 -30.014 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.597 1.580 -33.691 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.637 2.123 -29.987 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.499 0.171 -31.010 1.00 0.00 H new ATOM 537 N LEU A 35 -6.210 7.908 -32.752 1.00 0.00 N ATOM 538 CA LEU A 35 -5.773 9.254 -33.112 1.00 0.00 C ATOM 539 C LEU A 35 -6.967 10.136 -33.451 1.00 0.00 C ATOM 540 O LEU A 35 -6.945 11.347 -33.232 1.00 0.00 O ATOM 541 CB LEU A 35 -4.822 9.201 -34.311 1.00 0.00 C ATOM 542 CG LEU A 35 -3.470 9.892 -34.107 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.657 11.345 -33.694 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.646 9.143 -33.075 1.00 0.00 C ATOM 0 H LEU A 35 -5.944 7.189 -33.424 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.251 9.680 -32.255 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.643 8.156 -34.565 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.318 9.657 -35.168 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.933 9.880 -35.056 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.682 11.812 -33.556 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.207 11.876 -34.471 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.216 11.389 -32.759 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.688 9.645 -32.940 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.182 9.123 -32.126 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.476 8.122 -33.417 1.00 0.00 H new ATOM 556 N ASP A 36 -8.010 9.514 -33.980 1.00 0.00 N ATOM 557 CA ASP A 36 -9.216 10.230 -34.379 1.00 0.00 C ATOM 558 C ASP A 36 -9.863 10.919 -33.176 1.00 0.00 C ATOM 559 O ASP A 36 -10.466 11.987 -33.307 1.00 0.00 O ATOM 560 CB ASP A 36 -10.205 9.264 -35.037 1.00 0.00 C ATOM 561 CG ASP A 36 -11.236 9.976 -35.888 1.00 0.00 C ATOM 562 OD1 ASP A 36 -10.854 10.539 -36.936 1.00 0.00 O ATOM 563 OD2 ASP A 36 -12.435 9.940 -35.535 1.00 0.00 O ATOM 0 H ASP A 36 -8.047 8.508 -34.144 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.939 10.999 -35.100 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.656 8.554 -35.656 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.713 8.687 -34.264 1.00 0.00 H new ATOM 568 N ASP A 37 -9.708 10.312 -32.002 1.00 0.00 N ATOM 569 CA ASP A 37 -10.216 10.894 -30.761 1.00 0.00 C ATOM 570 C ASP A 37 -9.261 11.957 -30.239 1.00 0.00 C ATOM 571 O ASP A 37 -9.686 12.963 -29.671 1.00 0.00 O ATOM 572 CB ASP A 37 -10.424 9.819 -29.690 1.00 0.00 C ATOM 573 CG ASP A 37 -11.672 8.993 -29.920 1.00 0.00 C ATOM 574 OD1 ASP A 37 -12.768 9.432 -29.503 1.00 0.00 O ATOM 575 OD2 ASP A 37 -11.568 7.902 -30.516 1.00 0.00 O ATOM 0 H ASP A 37 -9.234 9.416 -31.883 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.179 11.354 -30.983 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.556 9.160 -29.671 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.484 10.295 -28.711 1.00 0.00 H new ATOM 580 N MET A 38 -7.966 11.744 -30.454 1.00 0.00 N ATOM 581 CA MET A 38 -6.954 12.700 -30.016 1.00 0.00 C ATOM 582 C MET A 38 -7.129 14.023 -30.755 1.00 0.00 C ATOM 583 O MET A 38 -6.933 15.096 -30.187 1.00 0.00 O ATOM 584 CB MET A 38 -5.546 12.147 -30.252 1.00 0.00 C ATOM 585 CG MET A 38 -5.303 10.808 -29.576 1.00 0.00 C ATOM 586 SD MET A 38 -3.602 10.236 -29.748 1.00 0.00 S ATOM 587 CE MET A 38 -2.738 11.459 -28.766 1.00 0.00 C ATOM 0 H MET A 38 -7.594 10.921 -30.927 1.00 0.00 H new ATOM 0 HA MET A 38 -7.081 12.870 -28.947 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.381 12.040 -31.324 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.814 12.868 -29.887 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.548 10.891 -28.517 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.976 10.064 -30.002 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.770 11.062 -28.460 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.590 12.362 -29.358 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.328 11.698 -27.881 1.00 0.00 H new ATOM 597 N PHE A 39 -7.530 13.931 -32.020 1.00 0.00 N ATOM 598 CA PHE A 39 -7.781 15.114 -32.840 1.00 0.00 C ATOM 599 C PHE A 39 -9.012 15.872 -32.332 1.00 0.00 C ATOM 600 O PHE A 39 -9.183 17.063 -32.600 1.00 0.00 O ATOM 601 CB PHE A 39 -7.970 14.704 -34.305 1.00 0.00 C ATOM 602 CG PHE A 39 -8.085 15.865 -35.254 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.965 16.599 -35.612 1.00 0.00 C ATOM 604 CD2 PHE A 39 -9.313 16.217 -35.792 1.00 0.00 C ATOM 605 CE1 PHE A 39 -7.067 17.664 -36.485 1.00 0.00 C ATOM 606 CE2 PHE A 39 -9.421 17.284 -36.665 1.00 0.00 C ATOM 607 CZ PHE A 39 -8.297 18.007 -37.013 1.00 0.00 C ATOM 0 H PHE A 39 -7.689 13.046 -32.502 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.920 15.778 -32.768 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -7.129 14.081 -34.609 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.867 14.090 -34.387 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.001 16.335 -35.203 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.194 15.652 -35.527 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.186 18.228 -36.755 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.384 17.552 -37.074 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.379 18.839 -37.697 1.00 0.00 H new ATOM 617 N GLU A 40 -9.861 15.175 -31.586 1.00 0.00 N ATOM 618 CA GLU A 40 -11.058 15.773 -31.012 1.00 0.00 C ATOM 619 C GLU A 40 -10.723 16.630 -29.801 1.00 0.00 C ATOM 620 O GLU A 40 -11.556 17.406 -29.333 1.00 0.00 O ATOM 621 CB GLU A 40 -12.051 14.685 -30.602 1.00 0.00 C ATOM 622 CG GLU A 40 -12.799 14.075 -31.767 1.00 0.00 C ATOM 623 CD GLU A 40 -13.589 15.112 -32.527 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.615 15.584 -31.999 1.00 0.00 O ATOM 625 OE2 GLU A 40 -13.171 15.480 -33.643 1.00 0.00 O ATOM 0 H GLU A 40 -9.740 14.187 -31.364 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.506 16.410 -31.775 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.515 13.897 -30.073 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.771 15.108 -29.901 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.092 13.591 -32.440 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.473 13.300 -31.401 1.00 0.00 H new ATOM 632 N GLY A 41 -9.506 16.486 -29.300 1.00 0.00 N ATOM 633 CA GLY A 41 -9.110 17.196 -28.103 1.00 0.00 C ATOM 634 C GLY A 41 -9.240 16.324 -26.875 1.00 0.00 C ATOM 635 O GLY A 41 -8.887 16.723 -25.766 1.00 0.00 O ATOM 0 H GLY A 41 -8.784 15.888 -29.702 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.079 17.534 -28.203 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.727 18.087 -27.986 1.00 0.00 H new ATOM 639 N GLU A 42 -9.755 15.123 -27.079 1.00 0.00 N ATOM 640 CA GLU A 42 -9.877 14.153 -26.011 1.00 0.00 C ATOM 641 C GLU A 42 -8.615 13.307 -25.967 1.00 0.00 C ATOM 642 O GLU A 42 -8.403 12.450 -26.825 1.00 0.00 O ATOM 643 CB GLU A 42 -11.102 13.257 -26.233 1.00 0.00 C ATOM 644 CG GLU A 42 -11.393 12.317 -25.071 1.00 0.00 C ATOM 645 CD GLU A 42 -11.996 13.029 -23.876 1.00 0.00 C ATOM 646 OE1 GLU A 42 -11.308 13.876 -23.266 1.00 0.00 O ATOM 647 OE2 GLU A 42 -13.166 12.748 -23.542 1.00 0.00 O ATOM 0 H GLU A 42 -10.097 14.798 -27.983 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.006 14.676 -25.063 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.975 13.887 -26.406 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.950 12.667 -27.137 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.075 11.535 -25.404 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.469 11.826 -24.767 1.00 0.00 H new ATOM 654 N LYS A 43 -7.763 13.556 -24.987 1.00 0.00 N ATOM 655 CA LYS A 43 -6.510 12.835 -24.916 1.00 0.00 C ATOM 656 C LYS A 43 -6.461 11.970 -23.663 1.00 0.00 C ATOM 657 O LYS A 43 -6.200 12.440 -22.556 1.00 0.00 O ATOM 658 CB LYS A 43 -5.300 13.779 -24.995 1.00 0.00 C ATOM 659 CG LYS A 43 -5.178 14.772 -23.857 1.00 0.00 C ATOM 660 CD LYS A 43 -6.079 15.973 -24.039 1.00 0.00 C ATOM 661 CE LYS A 43 -6.167 16.775 -22.761 1.00 0.00 C ATOM 662 NZ LYS A 43 -6.736 15.977 -21.640 1.00 0.00 N ATOM 0 H LYS A 43 -7.914 14.239 -24.244 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.454 12.179 -25.785 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.392 13.177 -25.029 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.352 14.331 -25.933 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.424 14.276 -22.918 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.143 15.106 -23.780 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.697 16.602 -24.843 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.075 15.645 -24.337 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.173 17.129 -22.486 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.785 17.657 -22.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.455 16.540 -21.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.174 15.112 -22.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.977 15.720 -20.977 1.00 0.00 H new ATOM 676 N VAL A 44 -6.734 10.695 -23.858 1.00 0.00 N ATOM 677 CA VAL A 44 -6.734 9.726 -22.780 1.00 0.00 C ATOM 678 C VAL A 44 -6.765 8.316 -23.356 1.00 0.00 C ATOM 679 O VAL A 44 -7.586 8.006 -24.220 1.00 0.00 O ATOM 680 CB VAL A 44 -7.924 9.948 -21.810 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.211 10.196 -22.577 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.093 8.768 -20.863 1.00 0.00 C ATOM 0 H VAL A 44 -6.963 10.301 -24.771 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.819 9.858 -22.203 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.700 10.833 -21.214 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.030 10.349 -21.874 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.098 11.083 -23.200 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.430 9.335 -23.208 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.935 8.954 -20.196 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.280 7.862 -21.440 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.185 8.641 -20.274 1.00 0.00 H new ATOM 692 N ALA A 45 -5.862 7.474 -22.897 1.00 0.00 N ATOM 693 CA ALA A 45 -5.806 6.105 -23.370 1.00 0.00 C ATOM 694 C ALA A 45 -6.475 5.187 -22.367 1.00 0.00 C ATOM 695 O ALA A 45 -6.320 5.357 -21.156 1.00 0.00 O ATOM 696 CB ALA A 45 -4.372 5.677 -23.621 1.00 0.00 C ATOM 0 H ALA A 45 -5.158 7.712 -22.198 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.341 6.040 -24.317 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.357 4.646 -23.975 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.925 6.326 -24.374 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.803 5.751 -22.694 1.00 0.00 H new ATOM 702 N VAL A 46 -7.232 4.231 -22.874 1.00 0.00 N ATOM 703 CA VAL A 46 -7.986 3.325 -22.028 1.00 0.00 C ATOM 704 C VAL A 46 -7.477 1.906 -22.196 1.00 0.00 C ATOM 705 O VAL A 46 -7.503 1.355 -23.296 1.00 0.00 O ATOM 706 CB VAL A 46 -9.494 3.361 -22.365 1.00 0.00 C ATOM 707 CG1 VAL A 46 -10.285 2.509 -21.384 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.011 4.793 -22.376 1.00 0.00 C ATOM 0 H VAL A 46 -7.341 4.062 -23.874 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.850 3.650 -20.997 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.629 2.944 -23.363 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.344 2.548 -21.639 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.937 1.477 -21.436 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.141 2.890 -20.373 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.074 4.794 -22.615 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.860 5.242 -21.394 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.470 5.370 -23.126 1.00 0.00 H new ATOM 718 N CYS A 47 -6.993 1.330 -21.115 1.00 0.00 N ATOM 719 CA CYS A 47 -6.590 -0.058 -21.121 1.00 0.00 C ATOM 720 C CYS A 47 -7.784 -0.916 -20.729 1.00 0.00 C ATOM 721 O CYS A 47 -8.363 -0.731 -19.653 1.00 0.00 O ATOM 722 CB CYS A 47 -5.444 -0.278 -20.145 1.00 0.00 C ATOM 723 SG CYS A 47 -4.485 -1.794 -20.442 1.00 0.00 S ATOM 0 H CYS A 47 -6.870 1.804 -20.220 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.248 -0.336 -22.118 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.771 0.578 -20.194 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.846 -0.310 -19.132 1.00 0.00 H new ATOM 728 N PRO A 48 -8.192 -1.836 -21.606 1.00 0.00 N ATOM 729 CA PRO A 48 -9.359 -2.676 -21.369 1.00 0.00 C ATOM 730 C PRO A 48 -9.102 -3.753 -20.320 1.00 0.00 C ATOM 731 O PRO A 48 -7.958 -4.149 -20.091 1.00 0.00 O ATOM 732 CB PRO A 48 -9.627 -3.301 -22.736 1.00 0.00 C ATOM 733 CG PRO A 48 -8.305 -3.314 -23.420 1.00 0.00 C ATOM 734 CD PRO A 48 -7.540 -2.130 -22.894 1.00 0.00 C ATOM 0 HA PRO A 48 -10.200 -2.105 -20.977 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.030 -4.309 -22.637 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.357 -2.720 -23.299 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.772 -4.242 -23.216 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.427 -3.248 -24.501 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.483 -2.362 -22.764 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.598 -1.281 -23.575 1.00 0.00 H new ATOM 742 N SER A 49 -10.183 -4.198 -19.681 1.00 0.00 N ATOM 743 CA SER A 49 -10.156 -5.244 -18.665 1.00 0.00 C ATOM 744 C SER A 49 -9.669 -4.710 -17.320 1.00 0.00 C ATOM 745 O SER A 49 -10.368 -4.847 -16.314 1.00 0.00 O ATOM 746 CB SER A 49 -9.322 -6.437 -19.127 1.00 0.00 C ATOM 747 OG SER A 49 -9.852 -6.996 -20.318 1.00 0.00 O ATOM 0 H SER A 49 -11.119 -3.833 -19.860 1.00 0.00 H new ATOM 0 HA SER A 49 -11.180 -5.590 -18.522 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.292 -6.122 -19.296 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.299 -7.195 -18.344 1.00 0.00 H new ATOM 0 HG SER A 49 -9.301 -7.757 -20.596 1.00 0.00 H new ATOM 753 N CYS A 50 -8.496 -4.081 -17.290 1.00 0.00 N ATOM 754 CA CYS A 50 -8.009 -3.513 -16.040 1.00 0.00 C ATOM 755 C CYS A 50 -8.662 -2.147 -15.833 1.00 0.00 C ATOM 756 O CYS A 50 -8.820 -1.680 -14.704 1.00 0.00 O ATOM 757 CB CYS A 50 -6.477 -3.417 -16.016 1.00 0.00 C ATOM 758 SG CYS A 50 -5.784 -2.028 -16.962 1.00 0.00 S ATOM 0 H CYS A 50 -7.881 -3.955 -18.094 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.284 -4.173 -15.217 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.149 -3.332 -14.980 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.063 -4.347 -16.407 1.00 0.00 H new ATOM 763 N SER A 51 -9.049 -1.529 -16.953 1.00 0.00 N ATOM 764 CA SER A 51 -9.891 -0.336 -16.959 1.00 0.00 C ATOM 765 C SER A 51 -9.146 0.895 -16.440 1.00 0.00 C ATOM 766 O SER A 51 -9.710 1.710 -15.704 1.00 0.00 O ATOM 767 CB SER A 51 -11.164 -0.588 -16.134 1.00 0.00 C ATOM 768 OG SER A 51 -12.093 0.476 -16.268 1.00 0.00 O ATOM 0 H SER A 51 -8.783 -1.847 -17.885 1.00 0.00 H new ATOM 0 HA SER A 51 -10.168 -0.129 -17.993 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.628 -1.520 -16.456 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.899 -0.710 -15.084 1.00 0.00 H new ATOM 0 HG SER A 51 -11.638 1.329 -16.108 1.00 0.00 H new ATOM 774 N LEU A 52 -7.901 1.065 -16.862 1.00 0.00 N ATOM 775 CA LEU A 52 -7.123 2.213 -16.438 1.00 0.00 C ATOM 776 C LEU A 52 -7.044 3.231 -17.559 1.00 0.00 C ATOM 777 O LEU A 52 -6.713 2.904 -18.700 1.00 0.00 O ATOM 778 CB LEU A 52 -5.724 1.792 -15.989 1.00 0.00 C ATOM 779 CG LEU A 52 -4.787 2.936 -15.572 1.00 0.00 C ATOM 780 CD1 LEU A 52 -5.452 3.847 -14.547 1.00 0.00 C ATOM 781 CD2 LEU A 52 -3.487 2.377 -15.009 1.00 0.00 C ATOM 0 H LEU A 52 -7.414 0.427 -17.492 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.622 2.671 -15.584 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.823 1.104 -15.150 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.253 1.238 -16.801 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.565 3.528 -16.460 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.765 4.647 -14.271 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.357 4.278 -14.976 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.711 3.269 -13.660 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.833 3.199 -14.718 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.704 1.760 -14.137 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.992 1.771 -15.768 1.00 0.00 H new ATOM 793 N MET A 53 -7.379 4.461 -17.226 1.00 0.00 N ATOM 794 CA MET A 53 -7.335 5.553 -18.175 1.00 0.00 C ATOM 795 C MET A 53 -6.322 6.591 -17.723 1.00 0.00 C ATOM 796 O MET A 53 -6.251 6.933 -16.539 1.00 0.00 O ATOM 797 CB MET A 53 -8.719 6.183 -18.297 1.00 0.00 C ATOM 798 CG MET A 53 -9.767 5.236 -18.853 1.00 0.00 C ATOM 799 SD MET A 53 -11.447 5.791 -18.518 1.00 0.00 S ATOM 800 CE MET A 53 -11.466 5.672 -16.730 1.00 0.00 C ATOM 0 H MET A 53 -7.689 4.731 -16.292 1.00 0.00 H new ATOM 0 HA MET A 53 -7.033 5.171 -19.150 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.039 6.531 -17.315 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.655 7.060 -18.941 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.628 5.138 -19.930 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.622 4.246 -18.421 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.441 5.314 -16.400 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.694 4.975 -16.403 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.275 6.654 -16.298 1.00 0.00 H new ATOM 810 N ILE A 54 -5.538 7.084 -18.665 1.00 0.00 N ATOM 811 CA ILE A 54 -4.533 8.094 -18.371 1.00 0.00 C ATOM 812 C ILE A 54 -4.520 9.142 -19.473 1.00 0.00 C ATOM 813 O ILE A 54 -4.877 8.856 -20.615 1.00 0.00 O ATOM 814 CB ILE A 54 -3.103 7.503 -18.208 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.470 7.152 -19.561 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.119 6.280 -17.305 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.185 6.066 -20.333 1.00 0.00 C ATOM 0 H ILE A 54 -5.577 6.801 -19.644 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.808 8.541 -17.416 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.491 8.276 -17.743 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.436 8.052 -20.175 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.439 6.841 -19.394 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.107 5.886 -17.208 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.496 6.559 -16.321 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.765 5.516 -17.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.666 5.887 -21.274 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.197 5.149 -19.744 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.209 6.379 -20.537 1.00 0.00 H new ATOM 829 N ASP A 55 -4.112 10.344 -19.125 1.00 0.00 N ATOM 830 CA ASP A 55 -4.109 11.453 -20.062 1.00 0.00 C ATOM 831 C ASP A 55 -2.847 11.384 -20.915 1.00 0.00 C ATOM 832 O ASP A 55 -1.823 10.862 -20.466 1.00 0.00 O ATOM 833 CB ASP A 55 -4.147 12.768 -19.283 1.00 0.00 C ATOM 834 CG ASP A 55 -4.753 13.913 -20.064 1.00 0.00 C ATOM 835 OD1 ASP A 55 -4.143 14.370 -21.043 1.00 0.00 O ATOM 836 OD2 ASP A 55 -5.854 14.373 -19.687 1.00 0.00 O ATOM 0 H ASP A 55 -3.775 10.582 -18.192 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.983 11.397 -20.712 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.718 12.622 -18.366 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.133 13.036 -18.988 1.00 0.00 H new ATOM 841 N VAL A 56 -2.911 11.890 -22.136 1.00 0.00 N ATOM 842 CA VAL A 56 -1.744 11.872 -23.011 1.00 0.00 C ATOM 843 C VAL A 56 -1.474 13.254 -23.609 1.00 0.00 C ATOM 844 O VAL A 56 -2.251 13.772 -24.410 1.00 0.00 O ATOM 845 CB VAL A 56 -1.865 10.800 -24.127 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.140 10.978 -24.939 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.635 10.819 -25.029 1.00 0.00 C ATOM 0 H VAL A 56 -3.745 12.313 -22.542 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.891 11.598 -22.391 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.920 9.824 -23.644 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.190 10.210 -25.711 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.005 10.889 -24.282 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.139 11.963 -25.407 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.741 10.060 -25.804 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.539 11.801 -25.493 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.255 10.610 -24.435 1.00 0.00 H new ATOM 857 N VAL A 57 -0.358 13.842 -23.204 1.00 0.00 N ATOM 858 CA VAL A 57 0.026 15.179 -23.658 1.00 0.00 C ATOM 859 C VAL A 57 0.384 15.163 -25.139 1.00 0.00 C ATOM 860 O VAL A 57 1.324 14.483 -25.549 1.00 0.00 O ATOM 861 CB VAL A 57 1.230 15.726 -22.861 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.585 17.140 -23.307 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.946 15.689 -21.369 1.00 0.00 C ATOM 0 H VAL A 57 0.305 13.414 -22.557 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.833 15.830 -23.492 1.00 0.00 H new ATOM 0 HB VAL A 57 2.088 15.085 -23.064 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.436 17.501 -22.729 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.842 17.134 -24.366 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.731 17.798 -23.145 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.807 16.079 -20.825 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.071 16.301 -21.150 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.757 14.661 -21.060 1.00 0.00 H new ATOM 873 N PHE A 58 -0.361 15.917 -25.934 1.00 0.00 N ATOM 874 CA PHE A 58 -0.148 15.951 -27.371 1.00 0.00 C ATOM 875 C PHE A 58 -0.137 17.389 -27.874 1.00 0.00 C ATOM 876 O PHE A 58 -0.566 18.305 -27.171 1.00 0.00 O ATOM 877 CB PHE A 58 -1.247 15.161 -28.097 1.00 0.00 C ATOM 878 CG PHE A 58 -2.581 15.864 -28.137 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.400 15.901 -27.023 1.00 0.00 C ATOM 880 CD2 PHE A 58 -3.009 16.495 -29.295 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.618 16.555 -27.061 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.227 17.147 -29.338 1.00 0.00 C ATOM 883 CZ PHE A 58 -5.031 17.178 -28.221 1.00 0.00 C ATOM 0 H PHE A 58 -1.120 16.514 -25.606 1.00 0.00 H new ATOM 0 HA PHE A 58 0.818 15.492 -27.581 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.922 14.961 -29.118 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.371 14.195 -27.607 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.085 15.413 -26.112 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.383 16.477 -30.175 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.246 16.578 -26.183 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.548 17.632 -30.248 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.982 17.688 -28.252 1.00 0.00 H new ATOM 893 N ASP A 59 0.355 17.576 -29.086 1.00 0.00 N ATOM 894 CA ASP A 59 0.324 18.878 -29.735 1.00 0.00 C ATOM 895 C ASP A 59 -0.080 18.698 -31.187 1.00 0.00 C ATOM 896 O ASP A 59 0.045 17.602 -31.729 1.00 0.00 O ATOM 897 CB ASP A 59 1.695 19.559 -29.668 1.00 0.00 C ATOM 898 CG ASP A 59 1.639 21.033 -30.030 1.00 0.00 C ATOM 899 OD1 ASP A 59 1.543 21.354 -31.233 1.00 0.00 O ATOM 900 OD2 ASP A 59 1.683 21.877 -29.112 1.00 0.00 O ATOM 0 H ASP A 59 0.784 16.838 -29.645 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.397 19.510 -29.217 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.100 19.452 -28.662 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.382 19.050 -30.344 1.00 0.00 H new ATOM 905 N LYS A 60 -0.552 19.764 -31.815 1.00 0.00 N ATOM 906 CA LYS A 60 -0.906 19.723 -33.227 1.00 0.00 C ATOM 907 C LYS A 60 0.332 19.406 -34.063 1.00 0.00 C ATOM 908 O LYS A 60 0.261 18.670 -35.051 1.00 0.00 O ATOM 909 CB LYS A 60 -1.511 21.056 -33.681 1.00 0.00 C ATOM 910 CG LYS A 60 -2.789 21.446 -32.944 1.00 0.00 C ATOM 911 CD LYS A 60 -2.510 22.360 -31.757 1.00 0.00 C ATOM 912 CE LYS A 60 -2.021 23.722 -32.217 1.00 0.00 C ATOM 913 NZ LYS A 60 -1.789 24.653 -31.081 1.00 0.00 N ATOM 0 H LYS A 60 -0.699 20.670 -31.369 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.652 18.941 -33.370 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.771 21.844 -33.543 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.723 21.001 -34.749 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.467 21.947 -33.635 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.296 20.546 -32.597 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.417 22.477 -31.164 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.763 21.902 -31.109 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.095 23.602 -32.780 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.753 24.158 -32.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.456 25.569 -31.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.677 24.790 -30.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.071 24.252 -30.445 1.00 0.00 H new ATOM 927 N GLU A 61 1.463 19.960 -33.642 1.00 0.00 N ATOM 928 CA GLU A 61 2.744 19.711 -34.297 1.00 0.00 C ATOM 929 C GLU A 61 3.134 18.239 -34.169 1.00 0.00 C ATOM 930 O GLU A 61 3.553 17.603 -35.141 1.00 0.00 O ATOM 931 CB GLU A 61 3.821 20.607 -33.684 1.00 0.00 C ATOM 932 CG GLU A 61 3.590 22.089 -33.943 1.00 0.00 C ATOM 933 CD GLU A 61 4.443 22.984 -33.066 1.00 0.00 C ATOM 934 OE1 GLU A 61 5.685 22.868 -33.112 1.00 0.00 O ATOM 935 OE2 GLU A 61 3.871 23.806 -32.319 1.00 0.00 O ATOM 0 H GLU A 61 1.520 20.591 -32.842 1.00 0.00 H new ATOM 0 HA GLU A 61 2.651 19.946 -35.357 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.858 20.435 -32.608 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.793 20.322 -34.086 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.802 22.307 -34.990 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.538 22.322 -33.776 1.00 0.00 H new ATOM 942 N ASP A 62 2.977 17.699 -32.964 1.00 0.00 N ATOM 943 CA ASP A 62 3.258 16.292 -32.711 1.00 0.00 C ATOM 944 C ASP A 62 2.312 15.404 -33.506 1.00 0.00 C ATOM 945 O ASP A 62 2.741 14.439 -34.136 1.00 0.00 O ATOM 946 CB ASP A 62 3.133 15.968 -31.222 1.00 0.00 C ATOM 947 CG ASP A 62 4.260 16.551 -30.396 1.00 0.00 C ATOM 948 OD1 ASP A 62 4.214 17.760 -30.088 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.186 15.801 -30.031 1.00 0.00 O ATOM 0 H ASP A 62 2.656 18.217 -32.146 1.00 0.00 H new ATOM 0 HA ASP A 62 4.282 16.097 -33.028 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.182 16.350 -30.851 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.115 14.886 -31.091 1.00 0.00 H new ATOM 954 N LEU A 63 1.025 15.745 -33.485 1.00 0.00 N ATOM 955 CA LEU A 63 0.013 14.967 -34.188 1.00 0.00 C ATOM 956 C LEU A 63 0.365 14.813 -35.660 1.00 0.00 C ATOM 957 O LEU A 63 0.429 13.699 -36.164 1.00 0.00 O ATOM 958 CB LEU A 63 -1.370 15.608 -34.066 1.00 0.00 C ATOM 959 CG LEU A 63 -1.986 15.596 -32.669 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.414 16.114 -32.721 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.944 14.198 -32.072 1.00 0.00 C ATOM 0 H LEU A 63 0.660 16.557 -32.987 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.012 13.983 -33.720 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.302 16.642 -34.404 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.049 15.095 -34.747 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.400 16.254 -32.027 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.843 16.101 -31.719 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.417 17.135 -33.103 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.008 15.479 -33.378 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.388 14.214 -31.077 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.505 13.513 -32.709 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.909 13.863 -32.002 1.00 0.00 H new ATOM 973 N ALA A 64 0.610 15.934 -36.335 1.00 0.00 N ATOM 974 CA ALA A 64 0.903 15.919 -37.767 1.00 0.00 C ATOM 975 C ALA A 64 2.077 14.996 -38.085 1.00 0.00 C ATOM 976 O ALA A 64 2.028 14.220 -39.042 1.00 0.00 O ATOM 977 CB ALA A 64 1.188 17.329 -38.265 1.00 0.00 C ATOM 0 H ALA A 64 0.612 16.863 -35.914 1.00 0.00 H new ATOM 0 HA ALA A 64 0.024 15.533 -38.284 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.404 17.301 -39.333 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.317 17.960 -38.088 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.047 17.737 -37.731 1.00 0.00 H new ATOM 983 N GLU A 65 3.115 15.073 -37.262 1.00 0.00 N ATOM 984 CA GLU A 65 4.314 14.274 -37.462 1.00 0.00 C ATOM 985 C GLU A 65 4.019 12.785 -37.273 1.00 0.00 C ATOM 986 O GLU A 65 4.366 11.955 -38.115 1.00 0.00 O ATOM 987 CB GLU A 65 5.400 14.720 -36.483 1.00 0.00 C ATOM 988 CG GLU A 65 6.789 14.262 -36.883 1.00 0.00 C ATOM 989 CD GLU A 65 7.847 14.695 -35.899 1.00 0.00 C ATOM 990 OE1 GLU A 65 8.153 15.903 -35.849 1.00 0.00 O ATOM 991 OE2 GLU A 65 8.382 13.832 -35.178 1.00 0.00 O ATOM 0 H GLU A 65 3.149 15.684 -36.446 1.00 0.00 H new ATOM 0 HA GLU A 65 4.662 14.424 -38.484 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.390 15.808 -36.410 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.168 14.332 -35.491 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.799 13.175 -36.967 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.029 14.661 -37.869 1.00 0.00 H new ATOM 998 N TYR A 66 3.369 12.456 -36.165 1.00 0.00 N ATOM 999 CA TYR A 66 3.030 11.075 -35.849 1.00 0.00 C ATOM 1000 C TYR A 66 1.988 10.516 -36.814 1.00 0.00 C ATOM 1001 O TYR A 66 1.992 9.321 -37.100 1.00 0.00 O ATOM 1002 CB TYR A 66 2.583 10.941 -34.391 1.00 0.00 C ATOM 1003 CG TYR A 66 3.746 10.990 -33.422 1.00 0.00 C ATOM 1004 CD1 TYR A 66 4.614 9.910 -33.305 1.00 0.00 C ATOM 1005 CD2 TYR A 66 3.987 12.109 -32.631 1.00 0.00 C ATOM 1006 CE1 TYR A 66 5.684 9.943 -32.434 1.00 0.00 C ATOM 1007 CE2 TYR A 66 5.057 12.149 -31.755 1.00 0.00 C ATOM 1008 CZ TYR A 66 5.903 11.062 -31.662 1.00 0.00 C ATOM 1009 OH TYR A 66 6.975 11.094 -30.798 1.00 0.00 O ATOM 0 H TYR A 66 3.064 13.132 -35.465 1.00 0.00 H new ATOM 0 HA TYR A 66 3.931 10.475 -35.974 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.882 11.742 -34.154 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.047 10.000 -34.263 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.448 9.029 -33.907 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.327 12.961 -32.702 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.347 9.094 -32.358 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.229 13.025 -31.148 1.00 0.00 H new ATOM 0 HH TYR A 66 7.286 12.018 -30.697 1.00 0.00 H new ATOM 1019 N TYR A 67 1.088 11.374 -37.301 1.00 0.00 N ATOM 1020 CA TYR A 67 0.148 10.989 -38.353 1.00 0.00 C ATOM 1021 C TYR A 67 0.901 10.349 -39.513 1.00 0.00 C ATOM 1022 O TYR A 67 0.489 9.313 -40.040 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.617 12.209 -38.877 1.00 0.00 C ATOM 1024 CG TYR A 67 -2.029 12.361 -38.347 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -2.285 13.005 -37.144 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -3.112 11.874 -39.067 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -3.574 13.156 -36.674 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -4.406 12.024 -38.604 1.00 0.00 C ATOM 1029 CZ TYR A 67 -4.630 12.664 -37.406 1.00 0.00 C ATOM 1030 OH TYR A 67 -5.916 12.818 -36.941 1.00 0.00 O ATOM 0 H TYR A 67 0.992 12.338 -36.983 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.560 10.279 -37.927 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.053 13.107 -38.626 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.658 12.152 -39.965 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.461 13.395 -36.565 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.940 11.369 -40.006 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.753 13.659 -35.735 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.236 11.641 -39.179 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.544 12.416 -37.577 1.00 0.00 H new ATOM 1040 N GLU A 68 2.017 10.970 -39.887 1.00 0.00 N ATOM 1041 CA GLU A 68 2.858 10.463 -40.962 1.00 0.00 C ATOM 1042 C GLU A 68 3.430 9.094 -40.599 1.00 0.00 C ATOM 1043 O GLU A 68 3.340 8.145 -41.377 1.00 0.00 O ATOM 1044 CB GLU A 68 4.006 11.434 -41.240 1.00 0.00 C ATOM 1045 CG GLU A 68 3.555 12.827 -41.635 1.00 0.00 C ATOM 1046 CD GLU A 68 4.722 13.767 -41.836 1.00 0.00 C ATOM 1047 OE1 GLU A 68 5.313 13.764 -42.936 1.00 0.00 O ATOM 1048 OE2 GLU A 68 5.068 14.505 -40.893 1.00 0.00 O ATOM 0 H GLU A 68 2.359 11.829 -39.457 1.00 0.00 H new ATOM 0 HA GLU A 68 2.242 10.365 -41.856 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.632 11.505 -40.350 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.629 11.026 -42.036 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.972 12.772 -42.554 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.897 13.227 -40.864 1.00 0.00 H new ATOM 1055 N GLU A 69 4.002 9.001 -39.405 1.00 0.00 N ATOM 1056 CA GLU A 69 4.676 7.784 -38.968 1.00 0.00 C ATOM 1057 C GLU A 69 3.701 6.636 -38.732 1.00 0.00 C ATOM 1058 O GLU A 69 4.043 5.474 -38.942 1.00 0.00 O ATOM 1059 CB GLU A 69 5.489 8.045 -37.701 1.00 0.00 C ATOM 1060 CG GLU A 69 6.690 8.944 -37.939 1.00 0.00 C ATOM 1061 CD GLU A 69 7.759 8.783 -36.883 1.00 0.00 C ATOM 1062 OE1 GLU A 69 8.623 7.893 -37.050 1.00 0.00 O ATOM 1063 OE2 GLU A 69 7.755 9.545 -35.896 1.00 0.00 O ATOM 0 H GLU A 69 4.013 9.756 -38.720 1.00 0.00 H new ATOM 0 HA GLU A 69 5.347 7.487 -39.774 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.844 8.501 -36.950 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.830 7.094 -37.293 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.116 8.723 -38.918 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.362 9.983 -37.962 1.00 0.00 H new ATOM 1070 N ALA A 70 2.493 6.954 -38.294 1.00 0.00 N ATOM 1071 CA ALA A 70 1.493 5.929 -38.037 1.00 0.00 C ATOM 1072 C ALA A 70 0.798 5.507 -39.323 1.00 0.00 C ATOM 1073 O ALA A 70 0.054 4.529 -39.344 1.00 0.00 O ATOM 1074 CB ALA A 70 0.478 6.412 -37.016 1.00 0.00 C ATOM 0 H ALA A 70 2.182 7.908 -38.110 1.00 0.00 H new ATOM 0 HA ALA A 70 2.005 5.058 -37.628 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.260 5.630 -36.839 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.987 6.649 -36.082 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.022 7.304 -37.394 1.00 0.00 H new ATOM 1080 N GLY A 71 1.034 6.257 -40.388 1.00 0.00 N ATOM 1081 CA GLY A 71 0.474 5.910 -41.676 1.00 0.00 C ATOM 1082 C GLY A 71 -0.993 6.252 -41.760 1.00 0.00 C ATOM 1083 O GLY A 71 -1.784 5.513 -42.347 1.00 0.00 O ATOM 0 H GLY A 71 1.605 7.102 -40.383 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.016 6.437 -42.462 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.609 4.843 -41.856 1.00 0.00 H new ATOM 1087 N ILE A 72 -1.352 7.371 -41.160 1.00 0.00 N ATOM 1088 CA ILE A 72 -2.730 7.816 -41.140 1.00 0.00 C ATOM 1089 C ILE A 72 -2.977 8.735 -42.332 1.00 0.00 C ATOM 1090 O ILE A 72 -2.034 9.085 -43.046 1.00 0.00 O ATOM 1091 CB ILE A 72 -3.054 8.561 -39.825 1.00 0.00 C ATOM 1092 CG1 ILE A 72 -2.250 7.969 -38.664 1.00 0.00 C ATOM 1093 CG2 ILE A 72 -4.538 8.469 -39.524 1.00 0.00 C ATOM 1094 CD1 ILE A 72 -2.524 8.620 -37.325 1.00 0.00 C ATOM 0 H ILE A 72 -0.702 7.991 -40.677 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.381 6.944 -41.202 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.779 9.609 -39.944 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.470 6.904 -38.590 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.187 8.060 -38.889 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.754 8.997 -38.595 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.103 8.921 -40.339 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.824 7.422 -39.421 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.915 8.143 -36.557 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.276 9.680 -37.378 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.579 8.507 -37.074 1.00 0.00 H new ATOM 1106 N HIS A 73 -4.227 9.117 -42.561 1.00 0.00 N ATOM 1107 CA HIS A 73 -4.549 9.997 -43.675 1.00 0.00 C ATOM 1108 C HIS A 73 -3.939 11.377 -43.436 1.00 0.00 C ATOM 1109 O HIS A 73 -4.269 12.033 -42.449 1.00 0.00 O ATOM 1110 CB HIS A 73 -6.067 10.114 -43.851 1.00 0.00 C ATOM 1111 CG HIS A 73 -6.475 10.536 -45.230 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -6.799 11.835 -45.572 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -6.621 9.807 -46.361 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -7.119 11.881 -46.853 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -7.019 10.665 -47.353 1.00 0.00 N ATOM 0 H HIS A 73 -5.027 8.834 -41.995 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.131 9.573 -44.588 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.527 9.153 -43.622 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.455 10.833 -43.129 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.455 8.745 -46.463 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.413 12.765 -47.399 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.207 10.405 -48.321 1.00 0.00 H new ATOM 1124 N PRO A 74 -3.037 11.820 -44.335 1.00 0.00 N ATOM 1125 CA PRO A 74 -2.324 13.099 -44.200 1.00 0.00 C ATOM 1126 C PRO A 74 -3.259 14.256 -43.863 1.00 0.00 C ATOM 1127 O PRO A 74 -4.237 14.493 -44.567 1.00 0.00 O ATOM 1128 CB PRO A 74 -1.695 13.298 -45.580 1.00 0.00 C ATOM 1129 CG PRO A 74 -1.493 11.916 -46.095 1.00 0.00 C ATOM 1130 CD PRO A 74 -2.640 11.100 -45.559 1.00 0.00 C ATOM 0 HA PRO A 74 -1.600 13.079 -43.385 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.348 13.875 -46.235 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.751 13.839 -45.513 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.482 11.904 -47.185 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.537 11.511 -45.762 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.460 11.043 -46.275 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.336 10.076 -45.341 1.00 0.00 H new ATOM 1138 N PRO A 75 -2.977 14.975 -42.766 1.00 0.00 N ATOM 1139 CA PRO A 75 -3.827 16.070 -42.293 1.00 0.00 C ATOM 1140 C PRO A 75 -3.852 17.258 -43.249 1.00 0.00 C ATOM 1141 O PRO A 75 -2.882 17.518 -43.969 1.00 0.00 O ATOM 1142 CB PRO A 75 -3.193 16.485 -40.956 1.00 0.00 C ATOM 1143 CG PRO A 75 -2.259 15.378 -40.595 1.00 0.00 C ATOM 1144 CD PRO A 75 -1.810 14.777 -41.894 1.00 0.00 C ATOM 0 HA PRO A 75 -4.865 15.750 -42.208 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.661 17.432 -41.051 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.953 16.623 -40.187 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.410 15.754 -40.025 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.757 14.635 -39.972 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.924 15.276 -42.285 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.560 13.721 -41.786 1.00 0.00 H new ATOM 1152 N GLU A 76 -4.977 17.960 -43.255 1.00 0.00 N ATOM 1153 CA GLU A 76 -5.121 19.195 -44.008 1.00 0.00 C ATOM 1154 C GLU A 76 -4.381 20.312 -43.271 1.00 0.00 C ATOM 1155 O GLU A 76 -4.019 20.134 -42.107 1.00 0.00 O ATOM 1156 CB GLU A 76 -6.609 19.544 -44.155 1.00 0.00 C ATOM 1157 CG GLU A 76 -7.436 18.455 -44.823 1.00 0.00 C ATOM 1158 CD GLU A 76 -7.059 18.233 -46.274 1.00 0.00 C ATOM 1159 OE1 GLU A 76 -7.632 18.911 -47.147 1.00 0.00 O ATOM 1160 OE2 GLU A 76 -6.201 17.369 -46.545 1.00 0.00 O ATOM 0 H GLU A 76 -5.813 17.689 -42.738 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.696 19.076 -45.004 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.024 19.747 -43.168 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.701 20.463 -44.734 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.310 17.522 -44.274 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.492 18.720 -44.764 1.00 0.00 H new ATOM 1167 N PRO A 77 -4.133 21.465 -43.923 1.00 0.00 N ATOM 1168 CA PRO A 77 -3.452 22.593 -43.278 1.00 0.00 C ATOM 1169 C PRO A 77 -4.089 22.961 -41.943 1.00 0.00 C ATOM 1170 O PRO A 77 -5.316 22.991 -41.807 1.00 0.00 O ATOM 1171 CB PRO A 77 -3.614 23.733 -44.277 1.00 0.00 C ATOM 1172 CG PRO A 77 -3.779 23.063 -45.596 1.00 0.00 C ATOM 1173 CD PRO A 77 -4.487 21.764 -45.323 1.00 0.00 C ATOM 0 HA PRO A 77 -2.412 22.361 -43.047 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.480 24.350 -44.036 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.744 24.389 -44.273 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.358 23.685 -46.279 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.812 22.887 -46.067 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.565 21.860 -45.452 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.154 20.976 -45.998 1.00 0.00 H new ATOM 1181 N ILE A 78 -3.249 23.246 -40.965 1.00 0.00 N ATOM 1182 CA ILE A 78 -3.701 23.484 -39.600 1.00 0.00 C ATOM 1183 C ILE A 78 -3.334 24.887 -39.136 1.00 0.00 C ATOM 1184 O ILE A 78 -2.677 25.636 -39.860 1.00 0.00 O ATOM 1185 CB ILE A 78 -3.100 22.451 -38.619 1.00 0.00 C ATOM 1186 CG1 ILE A 78 -1.571 22.424 -38.736 1.00 0.00 C ATOM 1187 CG2 ILE A 78 -3.691 21.069 -38.872 1.00 0.00 C ATOM 1188 CD1 ILE A 78 -0.899 21.458 -37.782 1.00 0.00 C ATOM 0 H ILE A 78 -2.239 23.320 -41.090 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.786 23.380 -39.603 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.356 22.748 -37.602 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.299 22.158 -39.758 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.185 23.427 -38.554 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.257 20.354 -38.173 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.771 21.104 -38.731 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.468 20.759 -39.893 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.181 21.497 -37.926 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.139 21.735 -36.755 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.255 20.447 -37.978 1.00 0.00 H new ATOM 1200 N ALA A 79 -3.745 25.228 -37.920 1.00 0.00 N ATOM 1201 CA ALA A 79 -3.494 26.554 -37.362 1.00 0.00 C ATOM 1202 C ALA A 79 -2.172 26.586 -36.604 1.00 0.00 C ATOM 1203 O ALA A 79 -1.880 27.532 -35.871 1.00 0.00 O ATOM 1204 CB ALA A 79 -4.638 26.968 -36.448 1.00 0.00 C ATOM 0 H ALA A 79 -4.256 24.602 -37.298 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.429 27.263 -38.187 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.437 27.958 -36.039 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.568 26.992 -37.017 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.730 26.251 -35.632 1.00 0.00 H new ATOM 1210 N ALA A 80 -1.379 25.540 -36.785 1.00 0.00 N ATOM 1211 CA ALA A 80 -0.067 25.453 -36.170 1.00 0.00 C ATOM 1212 C ALA A 80 1.017 25.595 -37.228 1.00 0.00 C ATOM 1213 O ALA A 80 1.209 24.707 -38.060 1.00 0.00 O ATOM 1214 CB ALA A 80 0.086 24.140 -35.417 1.00 0.00 C ATOM 0 H ALA A 80 -1.627 24.734 -37.359 1.00 0.00 H new ATOM 0 HA ALA A 80 0.037 26.268 -35.454 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.076 24.094 -34.963 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.674 24.077 -34.638 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.035 23.307 -36.110 1.00 0.00 H new ATOM 1220 N ALA A 81 1.702 26.724 -37.204 1.00 0.00 N ATOM 1221 CA ALA A 81 2.769 26.994 -38.158 1.00 0.00 C ATOM 1222 C ALA A 81 4.130 26.800 -37.508 1.00 0.00 C ATOM 1223 O ALA A 81 5.156 27.151 -38.099 1.00 0.00 O ATOM 1224 CB ALA A 81 2.637 28.407 -38.712 1.00 0.00 C ATOM 0 H ALA A 81 1.539 27.474 -36.532 1.00 0.00 H new ATOM 0 HA ALA A 81 2.682 26.288 -38.984 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.441 28.595 -39.424 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.675 28.512 -39.214 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.700 29.126 -37.895 1.00 0.00 H new ATOM 1230 N ALA A 82 4.110 26.223 -36.301 1.00 0.00 N ATOM 1231 CA ALA A 82 5.309 25.986 -35.494 1.00 0.00 C ATOM 1232 C ALA A 82 5.841 27.294 -34.922 1.00 0.00 C ATOM 1233 O ALA A 82 5.319 27.733 -33.870 1.00 0.00 O ATOM 1234 CB ALA A 82 6.382 25.246 -36.286 1.00 0.00 C ATOM 1235 OXT ALA A 82 6.761 27.885 -35.521 1.00 0.00 O ATOM 0 H ALA A 82 3.250 25.905 -35.854 1.00 0.00 H new ATOM 0 HA ALA A 82 5.028 25.343 -34.660 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.256 25.088 -35.655 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.992 24.282 -36.614 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.665 25.838 -37.156 1.00 0.00 H new TER 1241 ALA A 82 HETATM 1242 ZN ZN A 83 -4.110 -2.779 -18.386 1.00 0.00 ZN