USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 48 CYS SG : rot -180:sc= -0.0413 USER MOD Set 1.2: A 86 CYS SG : rot 180:sc= 0.0602 USER MOD Set 2.1: A 79 THR OG1 : rot -45:sc= -0.24 USER MOD Set 2.2: A 82 THR OG1 : rot 94:sc= 1.14 USER MOD Set 3.1: A 68 ASN : amide:sc= -1.74 K(o=-5.7,f=-2.3) USER MOD Set 3.2: A 72 GLN : amide:sc= -4 K(o=-5.7,f=-2.3!) USER MOD Set 4.1: A 39 CYS SG : rot -160:sc= -0.207 USER MOD Set 4.2: A 45 CYS SG : rot 180:sc= -0.277 USER MOD Single : A 9 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.5) USER MOD Single : A 10 SER OG : rot -97:sc= 0.372! USER MOD Single : A 13 TYR OH : rot -130:sc= -1.85 USER MOD Single : A 18 GLN : amide:sc= -0.948 K(o=-0.95,f=-5.7!) USER MOD Single : A 21 GLN : amide:sc= -8.61! C(o=-8.6!,f=-7.3!) USER MOD Single : A 22 SER OG : rot -140:sc= 0.165 USER MOD Single : A 24 MET CE :methyl 153:sc= -0.166 (180deg=-1.59!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.358 K(o=-0.36,f=-3!) USER MOD Single : A 30 ASN : amide:sc= -31.3! C(o=-31!,f=-33!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -51:sc= -0.268 USER MOD Single : A 47 THR OG1 : rot 128:sc= 0.148 USER MOD Single : A 64 ASN : amide:sc= -2.83 K(o=-2.8,f=-0.99) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -60:sc= 0.392 USER MOD Single : A 78 MET CE :methyl 159:sc= -0.956 (180deg=-1.98!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.896 USER MOD Single : A 87 GLN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 93 SER OG : rot -92:sc= 0.585 USER MOD Single : A 94 MET CE :methyl 159:sc= -14.7! (180deg=-17.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.710 13.839 -5.203 1.00 0.00 N ATOM 2 CA PRO A 1 4.230 13.926 -3.808 1.00 0.00 C ATOM 3 C PRO A 1 5.537 13.198 -3.618 1.00 0.00 C ATOM 4 O PRO A 1 6.233 12.847 -4.568 1.00 0.00 O ATOM 5 CB PRO A 1 3.191 13.276 -2.922 1.00 0.00 C ATOM 6 CG PRO A 1 1.968 13.391 -3.718 1.00 0.00 C ATOM 7 CD PRO A 1 2.434 13.093 -5.111 1.00 0.00 C ATOM 0 H2 PRO A 1 4.372 13.358 -5.811 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.563 14.768 -5.598 1.00 0.00 H new ATOM 0 HA PRO A 1 4.412 14.973 -3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.437 12.236 -2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.099 13.787 -1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.206 12.684 -3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.532 14.387 -3.644 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.579 12.024 -5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.715 13.430 -5.858 1.00 0.00 H new ATOM 17 N ARG A 2 5.820 12.947 -2.353 1.00 0.00 N ATOM 18 CA ARG A 2 7.010 12.216 -1.942 1.00 0.00 C ATOM 19 C ARG A 2 6.541 10.951 -1.255 1.00 0.00 C ATOM 20 O ARG A 2 5.357 10.847 -0.932 1.00 0.00 O ATOM 21 CB ARG A 2 7.862 13.073 -1.002 1.00 0.00 C ATOM 22 CG ARG A 2 8.616 12.282 0.055 1.00 0.00 C ATOM 23 CD ARG A 2 9.695 13.129 0.704 1.00 0.00 C ATOM 24 NE ARG A 2 9.376 13.462 2.088 1.00 0.00 N ATOM 25 CZ ARG A 2 10.259 13.963 2.946 1.00 0.00 C ATOM 26 NH1 ARG A 2 11.512 14.169 2.566 1.00 0.00 N ATOM 27 NH2 ARG A 2 9.889 14.256 4.186 1.00 0.00 N ATOM 0 H ARG A 2 5.230 13.245 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 2 7.634 11.969 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.580 13.639 -1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.217 13.798 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.919 11.929 0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.066 11.399 -0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.644 12.594 0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.827 14.048 0.132 1.00 0.00 H new ATOM 0 HE ARG A 2 8.423 13.302 2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.800 13.943 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.188 14.554 3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.926 14.097 4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.568 14.640 4.843 1.00 0.00 H new ATOM 41 N VAL A 3 7.399 9.967 -1.048 1.00 0.00 N ATOM 42 CA VAL A 3 6.915 8.770 -0.426 1.00 0.00 C ATOM 43 C VAL A 3 8.027 7.926 0.154 1.00 0.00 C ATOM 44 O VAL A 3 9.210 8.192 -0.042 1.00 0.00 O ATOM 45 CB VAL A 3 6.084 8.004 -1.461 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.226 6.520 -1.387 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.646 8.332 -1.302 1.00 0.00 C ATOM 0 H VAL A 3 8.389 9.977 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 3 6.290 9.032 0.428 1.00 0.00 H new ATOM 0 HB VAL A 3 6.470 8.322 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.605 6.056 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.268 6.246 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.909 6.173 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.064 7.783 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.317 8.052 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.499 9.402 -1.446 1.00 0.00 H new ATOM 57 N VAL A 4 7.634 6.899 0.876 1.00 0.00 N ATOM 58 CA VAL A 4 8.608 6.012 1.473 1.00 0.00 C ATOM 59 C VAL A 4 8.031 4.646 1.739 1.00 0.00 C ATOM 60 O VAL A 4 7.200 4.463 2.614 1.00 0.00 O ATOM 61 CB VAL A 4 9.221 6.595 2.758 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.880 5.504 3.594 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.230 7.661 2.387 1.00 0.00 C ATOM 0 H VAL A 4 6.660 6.660 1.062 1.00 0.00 H new ATOM 0 HA VAL A 4 9.410 5.908 0.743 1.00 0.00 H new ATOM 0 HB VAL A 4 8.428 7.037 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.305 5.944 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.135 4.758 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.672 5.029 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.668 8.078 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.016 7.220 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.733 8.453 1.826 1.00 0.00 H new ATOM 73 N PHE A 5 8.515 3.694 0.973 1.00 0.00 N ATOM 74 CA PHE A 5 8.090 2.313 1.085 1.00 0.00 C ATOM 75 C PHE A 5 9.027 1.549 2.010 1.00 0.00 C ATOM 76 O PHE A 5 10.029 2.085 2.482 1.00 0.00 O ATOM 77 CB PHE A 5 8.147 1.644 -0.275 1.00 0.00 C ATOM 78 CG PHE A 5 7.087 2.030 -1.271 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.483 3.295 -1.307 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.725 1.104 -2.225 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.549 3.589 -2.280 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.806 1.392 -3.191 1.00 0.00 C ATOM 83 CZ PHE A 5 5.212 2.636 -3.227 1.00 0.00 C ATOM 0 H PHE A 5 9.218 3.855 0.251 1.00 0.00 H new ATOM 0 HA PHE A 5 7.074 2.302 1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.120 1.857 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.094 0.566 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.749 4.041 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.181 0.125 -2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.081 4.562 -2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.544 0.646 -3.927 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.485 2.867 -3.992 1.00 0.00 H new ATOM 93 N ILE A 6 8.700 0.286 2.244 1.00 0.00 N ATOM 94 CA ILE A 6 9.492 -0.578 3.079 1.00 0.00 C ATOM 95 C ILE A 6 9.343 -2.025 2.643 1.00 0.00 C ATOM 96 O ILE A 6 8.385 -2.375 1.953 1.00 0.00 O ATOM 97 CB ILE A 6 9.079 -0.464 4.541 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.597 0.947 4.840 1.00 0.00 C ATOM 99 CG2 ILE A 6 10.252 -0.825 5.404 1.00 0.00 C ATOM 100 CD1 ILE A 6 9.718 1.941 5.014 1.00 0.00 C ATOM 0 H ILE A 6 7.871 -0.162 1.853 1.00 0.00 H new ATOM 0 HA ILE A 6 10.531 -0.264 2.975 1.00 0.00 H new ATOM 0 HB ILE A 6 8.257 -1.148 4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.949 1.280 4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.992 0.931 5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.969 -0.747 6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.563 -1.847 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.078 -0.143 5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.301 2.926 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.354 1.631 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.310 1.985 4.100 1.00 0.00 H new ATOM 112 N ASP A 7 10.282 -2.868 3.044 1.00 0.00 N ATOM 113 CA ASP A 7 10.225 -4.272 2.681 1.00 0.00 C ATOM 114 C ASP A 7 11.267 -5.088 3.431 1.00 0.00 C ATOM 115 O ASP A 7 12.186 -4.547 4.040 1.00 0.00 O ATOM 116 CB ASP A 7 10.418 -4.433 1.176 1.00 0.00 C ATOM 117 CG ASP A 7 9.649 -5.613 0.616 1.00 0.00 C ATOM 118 OD1 ASP A 7 9.758 -6.719 1.188 1.00 0.00 O ATOM 119 OD2 ASP A 7 8.938 -5.434 -0.396 1.00 0.00 O ATOM 0 H ASP A 7 11.085 -2.606 3.616 1.00 0.00 H new ATOM 0 HA ASP A 7 9.241 -4.648 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.097 -3.522 0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.479 -4.559 0.960 1.00 0.00 H new ATOM 124 N GLU A 8 11.107 -6.398 3.367 1.00 0.00 N ATOM 125 CA GLU A 8 12.012 -7.328 4.021 1.00 0.00 C ATOM 126 C GLU A 8 13.255 -7.560 3.166 1.00 0.00 C ATOM 127 O GLU A 8 14.158 -8.301 3.552 1.00 0.00 O ATOM 128 CB GLU A 8 11.294 -8.652 4.283 1.00 0.00 C ATOM 129 CG GLU A 8 12.227 -9.776 4.691 1.00 0.00 C ATOM 130 CD GLU A 8 11.645 -10.649 5.784 1.00 0.00 C ATOM 131 OE1 GLU A 8 11.139 -10.094 6.781 1.00 0.00 O ATOM 132 OE2 GLU A 8 11.694 -11.889 5.643 1.00 0.00 O ATOM 0 H GLU A 8 10.345 -6.848 2.860 1.00 0.00 H new ATOM 0 HA GLU A 8 12.327 -6.899 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.551 -8.504 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.754 -8.947 3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.451 -10.392 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.171 -9.353 5.033 1.00 0.00 H new ATOM 139 N GLN A 9 13.297 -6.913 2.006 1.00 0.00 N ATOM 140 CA GLN A 9 14.431 -7.042 1.103 1.00 0.00 C ATOM 141 C GLN A 9 15.482 -5.992 1.430 1.00 0.00 C ATOM 142 O GLN A 9 16.683 -6.248 1.340 1.00 0.00 O ATOM 143 CB GLN A 9 13.978 -6.888 -0.351 1.00 0.00 C ATOM 144 CG GLN A 9 13.801 -8.210 -1.077 1.00 0.00 C ATOM 145 CD GLN A 9 12.868 -9.156 -0.347 1.00 0.00 C ATOM 146 OE1 GLN A 9 13.254 -9.795 0.633 1.00 0.00 O ATOM 147 NE2 GLN A 9 11.632 -9.248 -0.822 1.00 0.00 N ATOM 0 H GLN A 9 12.558 -6.295 1.671 1.00 0.00 H new ATOM 0 HA GLN A 9 14.864 -8.034 1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.035 -6.342 -0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.709 -6.283 -0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 9 13.411 -8.021 -2.077 1.00 0.00 H new ATOM 0 HG3 GLN A 9 14.774 -8.687 -1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.357 -8.699 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.958 -9.867 -0.372 1.00 0.00 H new ATOM 156 N SER A 10 15.019 -4.807 1.812 1.00 0.00 N ATOM 157 CA SER A 10 15.920 -3.715 2.156 1.00 0.00 C ATOM 158 C SER A 10 15.452 -2.971 3.407 1.00 0.00 C ATOM 159 O SER A 10 16.113 -2.037 3.862 1.00 0.00 O ATOM 160 CB SER A 10 16.046 -2.742 0.982 1.00 0.00 C ATOM 161 OG SER A 10 15.599 -1.448 1.342 1.00 0.00 O ATOM 0 H SER A 10 14.028 -4.579 1.891 1.00 0.00 H new ATOM 0 HA SER A 10 16.897 -4.148 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.085 -2.694 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.463 -3.109 0.137 1.00 0.00 H new ATOM 0 HG SER A 10 14.673 -1.328 1.045 1.00 0.00 H new ATOM 167 N GLY A 11 14.315 -3.385 3.965 1.00 0.00 N ATOM 168 CA GLY A 11 13.801 -2.738 5.159 1.00 0.00 C ATOM 169 C GLY A 11 13.466 -1.278 4.942 1.00 0.00 C ATOM 170 O GLY A 11 13.360 -0.506 5.895 1.00 0.00 O ATOM 0 H GLY A 11 13.744 -4.153 3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.907 -3.264 5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.539 -2.821 5.957 1.00 0.00 H new ATOM 174 N GLU A 12 13.294 -0.904 3.685 1.00 0.00 N ATOM 175 CA GLU A 12 12.961 0.471 3.334 1.00 0.00 C ATOM 176 C GLU A 12 13.048 0.688 1.836 1.00 0.00 C ATOM 177 O GLU A 12 13.917 0.141 1.159 1.00 0.00 O ATOM 178 CB GLU A 12 13.882 1.457 4.048 1.00 0.00 C ATOM 179 CG GLU A 12 13.916 2.826 3.383 1.00 0.00 C ATOM 180 CD GLU A 12 14.775 3.823 4.135 1.00 0.00 C ATOM 181 OE1 GLU A 12 14.409 4.183 5.273 1.00 0.00 O ATOM 182 OE2 GLU A 12 15.815 4.243 3.585 1.00 0.00 O ATOM 0 H GLU A 12 13.379 -1.534 2.887 1.00 0.00 H new ATOM 0 HA GLU A 12 11.935 0.649 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.554 1.569 5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.892 1.048 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.294 2.722 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.900 3.213 3.307 1.00 0.00 H new ATOM 189 N TYR A 13 12.130 1.490 1.328 1.00 0.00 N ATOM 190 CA TYR A 13 12.079 1.788 -0.086 1.00 0.00 C ATOM 191 C TYR A 13 11.580 3.209 -0.326 1.00 0.00 C ATOM 192 O TYR A 13 10.538 3.424 -0.945 1.00 0.00 O ATOM 193 CB TYR A 13 11.200 0.757 -0.769 1.00 0.00 C ATOM 194 CG TYR A 13 11.900 -0.563 -0.895 1.00 0.00 C ATOM 195 CD1 TYR A 13 12.071 -1.390 0.210 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.398 -0.980 -2.114 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.728 -2.605 0.097 1.00 0.00 C ATOM 198 CE2 TYR A 13 13.056 -2.184 -2.246 1.00 0.00 C ATOM 199 CZ TYR A 13 13.220 -3.000 -1.137 1.00 0.00 C ATOM 200 OH TYR A 13 13.876 -4.202 -1.261 1.00 0.00 O ATOM 0 H TYR A 13 11.406 1.948 1.881 1.00 0.00 H new ATOM 0 HA TYR A 13 13.081 1.735 -0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.279 0.629 -0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.917 1.116 -1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.686 -1.081 1.171 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.269 -0.350 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.855 -3.238 0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.441 -2.490 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 13 14.726 -4.064 -1.728 1.00 0.00 H new ATOM 210 N ALA A 14 12.347 4.173 0.180 1.00 0.00 N ATOM 211 CA ALA A 14 12.014 5.587 0.042 1.00 0.00 C ATOM 212 C ALA A 14 11.732 5.945 -1.403 1.00 0.00 C ATOM 213 O ALA A 14 12.410 5.474 -2.317 1.00 0.00 O ATOM 214 CB ALA A 14 13.141 6.449 0.590 1.00 0.00 C ATOM 0 H ALA A 14 13.211 3.997 0.693 1.00 0.00 H new ATOM 0 HA ALA A 14 11.109 5.779 0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.880 7.502 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.294 6.220 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.058 6.244 0.038 1.00 0.00 H new ATOM 220 N VAL A 15 10.714 6.769 -1.608 1.00 0.00 N ATOM 221 CA VAL A 15 10.335 7.170 -2.946 1.00 0.00 C ATOM 222 C VAL A 15 9.448 8.396 -2.943 1.00 0.00 C ATOM 223 O VAL A 15 9.460 9.203 -2.020 1.00 0.00 O ATOM 224 CB VAL A 15 9.642 6.000 -3.667 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.184 5.811 -3.228 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.762 6.163 -5.177 1.00 0.00 C ATOM 0 H VAL A 15 10.141 7.169 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 15 11.245 7.437 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 15 10.160 5.086 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.747 4.972 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.150 5.609 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.618 6.717 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.267 5.328 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.290 7.097 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.815 6.180 -5.459 1.00 0.00 H new ATOM 236 N ASP A 16 8.702 8.526 -4.004 1.00 0.00 N ATOM 237 CA ASP A 16 7.802 9.615 -4.200 1.00 0.00 C ATOM 238 C ASP A 16 6.726 9.170 -5.140 1.00 0.00 C ATOM 239 O ASP A 16 6.863 8.162 -5.829 1.00 0.00 O ATOM 240 CB ASP A 16 8.500 10.791 -4.824 1.00 0.00 C ATOM 241 CG ASP A 16 9.918 10.972 -4.319 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.091 11.193 -3.102 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.856 10.890 -5.140 1.00 0.00 O ATOM 0 H ASP A 16 8.707 7.857 -4.774 1.00 0.00 H new ATOM 0 HA ASP A 16 7.400 9.913 -3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.519 10.663 -5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.929 11.696 -4.620 1.00 0.00 H new ATOM 248 N ALA A 17 5.663 9.906 -5.163 1.00 0.00 N ATOM 249 CA ALA A 17 4.561 9.568 -6.010 1.00 0.00 C ATOM 250 C ALA A 17 3.911 10.799 -6.606 1.00 0.00 C ATOM 251 O ALA A 17 4.414 11.913 -6.468 1.00 0.00 O ATOM 252 CB ALA A 17 3.599 8.787 -5.175 1.00 0.00 C ATOM 0 H ALA A 17 5.532 10.749 -4.604 1.00 0.00 H new ATOM 0 HA ALA A 17 4.901 8.977 -6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.737 8.505 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.089 7.888 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.268 9.397 -4.335 1.00 0.00 H new ATOM 258 N GLN A 18 2.784 10.589 -7.263 1.00 0.00 N ATOM 259 CA GLN A 18 2.038 11.677 -7.880 1.00 0.00 C ATOM 260 C GLN A 18 0.541 11.457 -7.715 1.00 0.00 C ATOM 261 O GLN A 18 0.045 10.348 -7.909 1.00 0.00 O ATOM 262 CB GLN A 18 2.385 11.797 -9.361 1.00 0.00 C ATOM 263 CG GLN A 18 3.877 11.863 -9.630 1.00 0.00 C ATOM 264 CD GLN A 18 4.499 13.166 -9.171 1.00 0.00 C ATOM 265 OE1 GLN A 18 3.931 13.881 -8.346 1.00 0.00 O ATOM 266 NE2 GLN A 18 5.673 13.482 -9.706 1.00 0.00 N ATOM 0 H GLN A 18 2.361 9.669 -7.385 1.00 0.00 H new ATOM 0 HA GLN A 18 2.316 12.605 -7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.965 10.944 -9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.911 12.691 -9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.370 11.032 -9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.055 11.737 -10.698 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.108 12.859 -10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.140 14.348 -9.436 1.00 0.00 H new ATOM 275 N ASP A 19 -0.177 12.516 -7.361 1.00 0.00 N ATOM 276 CA ASP A 19 -1.623 12.412 -7.181 1.00 0.00 C ATOM 277 C ASP A 19 -2.216 11.593 -8.312 1.00 0.00 C ATOM 278 O ASP A 19 -2.293 12.045 -9.454 1.00 0.00 O ATOM 279 CB ASP A 19 -2.281 13.792 -7.106 1.00 0.00 C ATOM 280 CG ASP A 19 -1.340 14.877 -6.618 1.00 0.00 C ATOM 281 OD1 ASP A 19 -1.244 15.072 -5.389 1.00 0.00 O ATOM 282 OD2 ASP A 19 -0.698 15.532 -7.467 1.00 0.00 O ATOM 0 H ASP A 19 0.210 13.445 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.819 11.911 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.656 14.063 -8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.143 13.741 -6.440 1.00 0.00 H new ATOM 287 N GLY A 20 -2.605 10.372 -7.981 1.00 0.00 N ATOM 288 CA GLY A 20 -3.158 9.474 -8.968 1.00 0.00 C ATOM 289 C GLY A 20 -2.351 8.197 -9.070 1.00 0.00 C ATOM 290 O GLY A 20 -2.757 7.253 -9.747 1.00 0.00 O ATOM 0 H GLY A 20 -2.546 9.986 -7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.189 9.234 -8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.182 9.969 -9.939 1.00 0.00 H new ATOM 294 N GLN A 21 -1.209 8.157 -8.377 1.00 0.00 N ATOM 295 CA GLN A 21 -0.364 6.974 -8.382 1.00 0.00 C ATOM 296 C GLN A 21 -0.535 6.224 -7.073 1.00 0.00 C ATOM 297 O GLN A 21 -0.655 6.834 -6.010 1.00 0.00 O ATOM 298 CB GLN A 21 1.102 7.355 -8.578 1.00 0.00 C ATOM 299 CG GLN A 21 1.401 7.966 -9.936 1.00 0.00 C ATOM 300 CD GLN A 21 2.711 8.733 -9.962 1.00 0.00 C ATOM 301 OE1 GLN A 21 3.009 9.436 -10.928 1.00 0.00 O ATOM 302 NE2 GLN A 21 3.504 8.599 -8.904 1.00 0.00 N ATOM 0 H GLN A 21 -0.856 8.928 -7.811 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.663 6.333 -9.212 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.391 8.062 -7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.719 6.466 -8.446 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.434 7.175 -10.686 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.588 8.636 -10.215 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.219 8.006 -8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.398 9.089 -8.871 1.00 0.00 H new ATOM 311 N SER A 22 -0.555 4.904 -7.145 1.00 0.00 N ATOM 312 CA SER A 22 -0.726 4.095 -5.951 1.00 0.00 C ATOM 313 C SER A 22 0.622 3.767 -5.319 1.00 0.00 C ATOM 314 O SER A 22 1.672 3.978 -5.927 1.00 0.00 O ATOM 315 CB SER A 22 -1.479 2.805 -6.288 1.00 0.00 C ATOM 316 OG SER A 22 -0.618 1.853 -6.888 1.00 0.00 O ATOM 0 H SER A 22 -0.456 4.373 -8.010 1.00 0.00 H new ATOM 0 HA SER A 22 -1.311 4.669 -5.232 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.913 2.386 -5.380 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.305 3.028 -6.963 1.00 0.00 H new ATOM 0 HG SER A 22 -1.092 1.394 -7.613 1.00 0.00 H new ATOM 322 N LEU A 23 0.584 3.247 -4.095 1.00 0.00 N ATOM 323 CA LEU A 23 1.803 2.881 -3.380 1.00 0.00 C ATOM 324 C LEU A 23 2.315 1.522 -3.848 1.00 0.00 C ATOM 325 O LEU A 23 3.275 0.983 -3.299 1.00 0.00 O ATOM 326 CB LEU A 23 1.551 2.878 -1.871 1.00 0.00 C ATOM 327 CG LEU A 23 1.148 1.530 -1.273 1.00 0.00 C ATOM 328 CD1 LEU A 23 0.503 1.727 0.093 1.00 0.00 C ATOM 329 CD2 LEU A 23 0.193 0.790 -2.198 1.00 0.00 C ATOM 0 H LEU A 23 -0.277 3.070 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 23 2.571 3.623 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.455 3.223 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.767 3.603 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 23 2.050 0.929 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.222 0.758 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.211 2.215 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.386 2.349 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.079 -0.166 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.705 1.389 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.678 0.616 -3.158 1.00 0.00 H new ATOM 341 N MET A 24 1.682 0.988 -4.887 1.00 0.00 N ATOM 342 CA MET A 24 2.090 -0.284 -5.456 1.00 0.00 C ATOM 343 C MET A 24 2.886 -0.004 -6.724 1.00 0.00 C ATOM 344 O MET A 24 3.860 -0.690 -7.032 1.00 0.00 O ATOM 345 CB MET A 24 0.864 -1.169 -5.747 1.00 0.00 C ATOM 346 CG MET A 24 0.566 -1.381 -7.228 1.00 0.00 C ATOM 347 SD MET A 24 -0.495 -2.806 -7.523 1.00 0.00 S ATOM 348 CE MET A 24 0.099 -3.340 -9.126 1.00 0.00 C ATOM 0 H MET A 24 0.883 1.420 -5.351 1.00 0.00 H new ATOM 0 HA MET A 24 2.714 -0.830 -4.748 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.016 -2.141 -5.278 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.010 -0.721 -5.275 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.089 -0.488 -7.630 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.503 -1.512 -7.768 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.074 -4.410 -9.240 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.433 -2.801 -9.909 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.167 -3.135 -9.205 1.00 0.00 H new ATOM 358 N GLU A 25 2.456 1.028 -7.445 1.00 0.00 N ATOM 359 CA GLU A 25 3.118 1.433 -8.674 1.00 0.00 C ATOM 360 C GLU A 25 4.394 2.179 -8.372 1.00 0.00 C ATOM 361 O GLU A 25 5.399 1.971 -9.050 1.00 0.00 O ATOM 362 CB GLU A 25 2.191 2.283 -9.544 1.00 0.00 C ATOM 363 CG GLU A 25 2.777 2.617 -10.906 1.00 0.00 C ATOM 364 CD GLU A 25 2.828 1.414 -11.827 1.00 0.00 C ATOM 365 OE1 GLU A 25 2.496 0.300 -11.367 1.00 0.00 O ATOM 366 OE2 GLU A 25 3.200 1.584 -13.008 1.00 0.00 O ATOM 0 H GLU A 25 1.648 1.599 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 25 3.370 0.531 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.249 1.753 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.961 3.210 -9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.181 3.402 -11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.784 3.015 -10.777 1.00 0.00 H new ATOM 373 N VAL A 26 4.399 3.022 -7.339 1.00 0.00 N ATOM 374 CA VAL A 26 5.634 3.701 -7.018 1.00 0.00 C ATOM 375 C VAL A 26 6.718 2.650 -6.956 1.00 0.00 C ATOM 376 O VAL A 26 7.722 2.710 -7.654 1.00 0.00 O ATOM 377 CB VAL A 26 5.640 4.435 -5.667 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.491 5.654 -5.782 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.285 4.827 -5.184 1.00 0.00 C ATOM 0 H VAL A 26 3.600 3.238 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 26 5.781 4.459 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 26 6.037 3.734 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.502 6.182 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.508 5.364 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.087 6.308 -6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.374 5.339 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.819 5.493 -5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.670 3.935 -5.063 1.00 0.00 H new ATOM 389 N ALA A 27 6.461 1.675 -6.105 1.00 0.00 N ATOM 390 CA ALA A 27 7.361 0.560 -5.890 1.00 0.00 C ATOM 391 C ALA A 27 8.201 0.245 -7.114 1.00 0.00 C ATOM 392 O ALA A 27 9.399 0.527 -7.154 1.00 0.00 O ATOM 393 CB ALA A 27 6.582 -0.686 -5.503 1.00 0.00 C ATOM 0 H ALA A 27 5.614 1.635 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 27 8.030 0.857 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.274 -1.513 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.027 -0.497 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.886 -0.942 -6.301 1.00 0.00 H new ATOM 399 N THR A 28 7.568 -0.371 -8.100 1.00 0.00 N ATOM 400 CA THR A 28 8.265 -0.756 -9.316 1.00 0.00 C ATOM 401 C THR A 28 9.094 0.412 -9.822 1.00 0.00 C ATOM 402 O THR A 28 10.146 0.225 -10.434 1.00 0.00 O ATOM 403 CB THR A 28 7.282 -1.216 -10.399 1.00 0.00 C ATOM 404 OG1 THR A 28 7.089 -0.200 -11.366 1.00 0.00 O ATOM 405 CG2 THR A 28 5.916 -1.612 -9.876 1.00 0.00 C ATOM 0 H THR A 28 6.578 -0.614 -8.082 1.00 0.00 H new ATOM 0 HA THR A 28 8.922 -1.594 -9.084 1.00 0.00 H new ATOM 0 HB THR A 28 7.747 -2.102 -10.831 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.460 -0.514 -12.049 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.284 -1.924 -10.708 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.021 -2.437 -9.171 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.458 -0.761 -9.372 1.00 0.00 H new ATOM 413 N GLN A 29 8.620 1.619 -9.543 1.00 0.00 N ATOM 414 CA GLN A 29 9.331 2.828 -9.950 1.00 0.00 C ATOM 415 C GLN A 29 10.503 3.117 -9.012 1.00 0.00 C ATOM 416 O GLN A 29 11.523 3.672 -9.424 1.00 0.00 O ATOM 417 CB GLN A 29 8.377 4.023 -9.989 1.00 0.00 C ATOM 418 CG GLN A 29 7.099 3.751 -10.766 1.00 0.00 C ATOM 419 CD GLN A 29 6.831 4.793 -11.833 1.00 0.00 C ATOM 420 OE1 GLN A 29 7.568 5.771 -11.962 1.00 0.00 O ATOM 421 NE2 GLN A 29 5.768 4.592 -12.603 1.00 0.00 N ATOM 0 H GLN A 29 7.750 1.789 -9.039 1.00 0.00 H new ATOM 0 HA GLN A 29 9.728 2.663 -10.952 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.119 4.306 -8.968 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.891 4.874 -10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.164 2.768 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.257 3.720 -10.074 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.184 3.768 -12.461 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.535 5.262 -13.336 1.00 0.00 H new ATOM 430 N ASN A 30 10.343 2.742 -7.750 1.00 0.00 N ATOM 431 CA ASN A 30 11.377 2.959 -6.731 1.00 0.00 C ATOM 432 C ASN A 30 12.350 1.787 -6.670 1.00 0.00 C ATOM 433 O ASN A 30 13.200 1.721 -5.782 1.00 0.00 O ATOM 434 CB ASN A 30 10.720 3.129 -5.359 1.00 0.00 C ATOM 435 CG ASN A 30 9.246 3.437 -5.489 1.00 0.00 C ATOM 436 OD1 ASN A 30 8.850 4.128 -6.421 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.435 2.947 -4.565 1.00 0.00 N ATOM 0 H ASN A 30 9.503 2.282 -7.400 1.00 0.00 H new ATOM 0 HA ASN A 30 11.930 3.858 -7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.853 2.219 -4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.215 3.933 -4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.434 3.140 -4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.811 2.377 -3.807 1.00 0.00 H new ATOM 444 N GLY A 31 12.201 0.849 -7.596 1.00 0.00 N ATOM 445 CA GLY A 31 13.058 -0.321 -7.597 1.00 0.00 C ATOM 446 C GLY A 31 12.582 -1.344 -6.583 1.00 0.00 C ATOM 447 O GLY A 31 13.142 -2.434 -6.466 1.00 0.00 O ATOM 0 H GLY A 31 11.506 0.876 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.069 -0.767 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.082 -0.026 -7.368 1.00 0.00 H new ATOM 451 N VAL A 32 11.533 -0.975 -5.854 1.00 0.00 N ATOM 452 CA VAL A 32 10.936 -1.824 -4.840 1.00 0.00 C ATOM 453 C VAL A 32 10.693 -3.230 -5.396 1.00 0.00 C ATOM 454 O VAL A 32 10.644 -3.424 -6.611 1.00 0.00 O ATOM 455 CB VAL A 32 9.630 -1.169 -4.348 1.00 0.00 C ATOM 456 CG1 VAL A 32 9.105 -1.766 -3.065 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.825 0.323 -4.151 1.00 0.00 C ATOM 0 H VAL A 32 11.073 -0.070 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 32 11.614 -1.929 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 32 8.891 -1.361 -5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.185 -1.258 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.903 -2.827 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.848 -1.645 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.893 0.769 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.607 0.493 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.115 0.780 -5.097 1.00 0.00 H new ATOM 467 N PRO A 33 10.595 -4.239 -4.514 1.00 0.00 N ATOM 468 CA PRO A 33 10.427 -5.642 -4.906 1.00 0.00 C ATOM 469 C PRO A 33 9.008 -5.995 -5.339 1.00 0.00 C ATOM 470 O PRO A 33 8.676 -7.172 -5.476 1.00 0.00 O ATOM 471 CB PRO A 33 10.825 -6.409 -3.626 1.00 0.00 C ATOM 472 CG PRO A 33 11.423 -5.373 -2.723 1.00 0.00 C ATOM 473 CD PRO A 33 10.695 -4.120 -3.063 1.00 0.00 C ATOM 0 HA PRO A 33 11.028 -5.888 -5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.959 -6.882 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.541 -7.201 -3.847 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.291 -5.637 -1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.495 -5.269 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.717 -4.069 -2.585 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.244 -3.229 -2.759 1.00 0.00 H new ATOM 481 N GLY A 34 8.179 -4.979 -5.564 1.00 0.00 N ATOM 482 CA GLY A 34 6.811 -5.219 -5.992 1.00 0.00 C ATOM 483 C GLY A 34 6.231 -6.474 -5.377 1.00 0.00 C ATOM 484 O GLY A 34 6.047 -7.483 -6.058 1.00 0.00 O ATOM 0 H GLY A 34 8.429 -3.996 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.192 -4.364 -5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.781 -5.302 -7.078 1.00 0.00 H new ATOM 488 N ILE A 35 5.960 -6.413 -4.082 1.00 0.00 N ATOM 489 CA ILE A 35 5.412 -7.553 -3.355 1.00 0.00 C ATOM 490 C ILE A 35 3.966 -7.843 -3.748 1.00 0.00 C ATOM 491 O ILE A 35 3.086 -7.900 -2.888 1.00 0.00 O ATOM 492 CB ILE A 35 5.486 -7.326 -1.834 1.00 0.00 C ATOM 493 CG1 ILE A 35 6.905 -6.923 -1.432 1.00 0.00 C ATOM 494 CG2 ILE A 35 5.052 -8.578 -1.087 1.00 0.00 C ATOM 495 CD1 ILE A 35 7.874 -8.084 -1.396 1.00 0.00 C ATOM 0 H ILE A 35 6.111 -5.583 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 35 6.023 -8.414 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 35 4.806 -6.517 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.274 -6.174 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.876 -6.453 -0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.110 -8.400 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.026 -8.826 -1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.708 -9.407 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.861 -7.725 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.528 -8.824 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.932 -8.540 -2.384 1.00 0.00 H new ATOM 507 N VAL A 36 3.733 -8.037 -5.048 1.00 0.00 N ATOM 508 CA VAL A 36 2.398 -8.338 -5.567 1.00 0.00 C ATOM 509 C VAL A 36 2.216 -7.782 -6.977 1.00 0.00 C ATOM 510 O VAL A 36 2.694 -6.693 -7.294 1.00 0.00 O ATOM 511 CB VAL A 36 1.279 -7.780 -4.664 1.00 0.00 C ATOM 512 CG1 VAL A 36 1.569 -6.339 -4.273 1.00 0.00 C ATOM 513 CG2 VAL A 36 -0.072 -7.892 -5.355 1.00 0.00 C ATOM 0 H VAL A 36 4.458 -7.990 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 36 2.319 -9.425 -5.586 1.00 0.00 H new ATOM 0 HB VAL A 36 1.246 -8.377 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.767 -5.966 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.514 -6.292 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.635 -5.725 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.849 -7.493 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.053 -7.324 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.283 -8.939 -5.573 1.00 0.00 H new ATOM 523 N ALA A 37 1.520 -8.540 -7.819 1.00 0.00 N ATOM 524 CA ALA A 37 1.271 -8.127 -9.196 1.00 0.00 C ATOM 525 C ALA A 37 0.454 -9.175 -9.943 1.00 0.00 C ATOM 526 O ALA A 37 0.801 -9.569 -11.056 1.00 0.00 O ATOM 527 CB ALA A 37 2.586 -7.870 -9.917 1.00 0.00 C ATOM 0 H ALA A 37 1.118 -9.444 -7.571 1.00 0.00 H new ATOM 0 HA ALA A 37 0.695 -7.202 -9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.384 -7.563 -10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.135 -7.081 -9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.183 -8.782 -9.922 1.00 0.00 H new ATOM 533 N GLU A 38 -0.634 -9.623 -9.323 1.00 0.00 N ATOM 534 CA GLU A 38 -1.502 -10.625 -9.929 1.00 0.00 C ATOM 535 C GLU A 38 -2.461 -9.979 -10.922 1.00 0.00 C ATOM 536 O GLU A 38 -2.450 -10.297 -12.111 1.00 0.00 O ATOM 537 CB GLU A 38 -2.295 -11.365 -8.851 1.00 0.00 C ATOM 538 CG GLU A 38 -2.146 -12.876 -8.916 1.00 0.00 C ATOM 539 CD GLU A 38 -1.917 -13.499 -7.553 1.00 0.00 C ATOM 540 OE1 GLU A 38 -2.188 -12.824 -6.538 1.00 0.00 O ATOM 541 OE2 GLU A 38 -1.467 -14.664 -7.501 1.00 0.00 O ATOM 0 H GLU A 38 -0.935 -9.307 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.874 -11.338 -10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.970 -11.018 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.350 -11.108 -8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.042 -13.307 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.312 -13.127 -9.571 1.00 0.00 H new ATOM 548 N CYS A 39 -3.288 -9.067 -10.423 1.00 0.00 N ATOM 549 CA CYS A 39 -4.255 -8.370 -11.260 1.00 0.00 C ATOM 550 C CYS A 39 -3.684 -7.041 -11.747 1.00 0.00 C ATOM 551 O CYS A 39 -3.932 -6.623 -12.878 1.00 0.00 O ATOM 552 CB CYS A 39 -5.551 -8.134 -10.483 1.00 0.00 C ATOM 553 SG CYS A 39 -5.506 -6.686 -9.379 1.00 0.00 S ATOM 0 H CYS A 39 -3.307 -8.793 -9.441 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.472 -8.992 -12.129 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.369 -8.011 -11.192 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.773 -9.022 -9.891 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.437 -6.798 -8.478 1.00 0.00 H new ATOM 558 N GLY A 40 -2.912 -6.390 -10.883 1.00 0.00 N ATOM 559 CA GLY A 40 -2.303 -5.120 -11.232 1.00 0.00 C ATOM 560 C GLY A 40 -3.161 -4.279 -12.158 1.00 0.00 C ATOM 561 O GLY A 40 -2.749 -3.958 -13.273 1.00 0.00 O ATOM 0 H GLY A 40 -2.697 -6.722 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.105 -4.557 -10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.340 -5.305 -11.708 1.00 0.00 H new ATOM 565 N GLY A 41 -4.351 -3.910 -11.693 1.00 0.00 N ATOM 566 CA GLY A 41 -5.238 -3.091 -12.501 1.00 0.00 C ATOM 567 C GLY A 41 -6.444 -3.852 -13.019 1.00 0.00 C ATOM 568 O GLY A 41 -7.398 -3.250 -13.512 1.00 0.00 O ATOM 0 H GLY A 41 -4.716 -4.162 -10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.579 -2.242 -11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.680 -2.687 -13.346 1.00 0.00 H new ATOM 572 N SER A 42 -6.409 -5.176 -12.912 1.00 0.00 N ATOM 573 CA SER A 42 -7.516 -6.004 -13.382 1.00 0.00 C ATOM 574 C SER A 42 -8.565 -6.186 -12.290 1.00 0.00 C ATOM 575 O SER A 42 -9.709 -6.547 -12.569 1.00 0.00 O ATOM 576 CB SER A 42 -7.006 -7.368 -13.851 1.00 0.00 C ATOM 577 OG SER A 42 -8.014 -8.074 -14.556 1.00 0.00 O ATOM 0 H SER A 42 -5.632 -5.697 -12.507 1.00 0.00 H new ATOM 0 HA SER A 42 -7.981 -5.493 -14.225 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.135 -7.233 -14.493 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.681 -7.954 -12.991 1.00 0.00 H new ATOM 0 HG SER A 42 -7.663 -8.942 -14.847 1.00 0.00 H new ATOM 583 N CYS A 43 -8.172 -5.931 -11.045 1.00 0.00 N ATOM 584 CA CYS A 43 -9.081 -6.064 -9.911 1.00 0.00 C ATOM 585 C CYS A 43 -9.671 -7.471 -9.847 1.00 0.00 C ATOM 586 O CYS A 43 -10.885 -7.650 -9.936 1.00 0.00 O ATOM 587 CB CYS A 43 -10.206 -5.031 -10.011 1.00 0.00 C ATOM 588 SG CYS A 43 -11.394 -5.100 -8.649 1.00 0.00 S ATOM 0 H CYS A 43 -7.229 -5.631 -10.796 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.512 -5.887 -8.998 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.767 -4.034 -10.046 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.738 -5.179 -10.951 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.812 -6.322 -8.499 1.00 0.00 H new ATOM 594 N VAL A 44 -8.804 -8.466 -9.690 1.00 0.00 N ATOM 595 CA VAL A 44 -9.242 -9.852 -9.612 1.00 0.00 C ATOM 596 C VAL A 44 -8.488 -10.611 -8.525 1.00 0.00 C ATOM 597 O VAL A 44 -8.625 -11.827 -8.399 1.00 0.00 O ATOM 598 CB VAL A 44 -9.051 -10.582 -10.955 1.00 0.00 C ATOM 599 CG1 VAL A 44 -9.606 -9.748 -12.100 1.00 0.00 C ATOM 600 CG2 VAL A 44 -7.581 -10.906 -11.182 1.00 0.00 C ATOM 0 H VAL A 44 -7.795 -8.337 -9.614 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.304 -9.830 -9.366 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.604 -11.521 -10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.462 -10.280 -13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.670 -9.574 -11.941 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.084 -8.792 -12.140 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.465 -11.422 -12.135 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.003 -9.982 -11.196 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.221 -11.547 -10.377 1.00 0.00 H new ATOM 610 N CYS A 45 -7.694 -9.888 -7.740 1.00 0.00 N ATOM 611 CA CYS A 45 -6.926 -10.508 -6.665 1.00 0.00 C ATOM 612 C CYS A 45 -7.110 -9.745 -5.355 1.00 0.00 C ATOM 613 O CYS A 45 -7.844 -8.760 -5.296 1.00 0.00 O ATOM 614 CB CYS A 45 -5.439 -10.585 -7.043 1.00 0.00 C ATOM 615 SG CYS A 45 -4.395 -9.233 -6.388 1.00 0.00 S ATOM 0 H CYS A 45 -7.566 -8.880 -7.827 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.299 -11.522 -6.520 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.040 -11.535 -6.688 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.357 -10.591 -8.130 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.165 -9.409 -6.772 1.00 0.00 H new ATOM 620 N ALA A 46 -6.437 -10.211 -4.308 1.00 0.00 N ATOM 621 CA ALA A 46 -6.527 -9.573 -3.000 1.00 0.00 C ATOM 622 C ALA A 46 -5.260 -9.812 -2.185 1.00 0.00 C ATOM 623 O ALA A 46 -5.252 -9.639 -0.966 1.00 0.00 O ATOM 624 CB ALA A 46 -7.747 -10.083 -2.248 1.00 0.00 C ATOM 0 H ALA A 46 -5.825 -11.026 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.631 -8.499 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.802 -9.599 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.648 -9.855 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.667 -11.162 -2.113 1.00 0.00 H new ATOM 630 N THR A 47 -4.188 -10.209 -2.866 1.00 0.00 N ATOM 631 CA THR A 47 -2.914 -10.470 -2.206 1.00 0.00 C ATOM 632 C THR A 47 -2.061 -9.207 -2.160 1.00 0.00 C ATOM 633 O THR A 47 -0.859 -9.265 -1.903 1.00 0.00 O ATOM 634 CB THR A 47 -2.161 -11.585 -2.935 1.00 0.00 C ATOM 635 OG1 THR A 47 -3.067 -12.508 -3.511 1.00 0.00 O ATOM 636 CG2 THR A 47 -1.224 -12.363 -2.035 1.00 0.00 C ATOM 0 H THR A 47 -4.177 -10.357 -3.875 1.00 0.00 H new ATOM 0 HA THR A 47 -3.117 -10.787 -1.183 1.00 0.00 H new ATOM 0 HB THR A 47 -1.570 -11.082 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.851 -12.631 -4.459 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.722 -13.138 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.481 -11.687 -1.613 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.794 -12.825 -1.229 1.00 0.00 H new ATOM 644 N CYS A 48 -2.696 -8.068 -2.410 1.00 0.00 N ATOM 645 CA CYS A 48 -2.003 -6.786 -2.398 1.00 0.00 C ATOM 646 C CYS A 48 -2.346 -5.999 -1.138 1.00 0.00 C ATOM 647 O CYS A 48 -2.548 -4.786 -1.187 1.00 0.00 O ATOM 648 CB CYS A 48 -2.379 -5.973 -3.635 1.00 0.00 C ATOM 649 SG CYS A 48 -4.127 -5.459 -3.679 1.00 0.00 S ATOM 0 H CYS A 48 -3.691 -8.006 -2.624 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.930 -6.977 -2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.748 -5.085 -3.679 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.162 -6.563 -4.525 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.352 -4.780 -4.764 1.00 0.00 H new ATOM 654 N ARG A 49 -2.414 -6.699 -0.009 1.00 0.00 N ATOM 655 CA ARG A 49 -2.736 -6.057 1.261 1.00 0.00 C ATOM 656 C ARG A 49 -1.510 -5.373 1.855 1.00 0.00 C ATOM 657 O ARG A 49 -1.118 -5.659 2.987 1.00 0.00 O ATOM 658 CB ARG A 49 -3.308 -7.061 2.273 1.00 0.00 C ATOM 659 CG ARG A 49 -3.329 -8.503 1.792 1.00 0.00 C ATOM 660 CD ARG A 49 -4.021 -9.412 2.795 1.00 0.00 C ATOM 661 NE ARG A 49 -3.370 -9.384 4.102 1.00 0.00 N ATOM 662 CZ ARG A 49 -3.425 -10.386 4.972 1.00 0.00 C ATOM 663 NH1 ARG A 49 -4.093 -11.491 4.673 1.00 0.00 N ATOM 664 NH2 ARG A 49 -2.812 -10.283 6.145 1.00 0.00 N ATOM 0 H ARG A 49 -2.252 -7.704 0.052 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.497 -5.305 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.721 -7.006 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.325 -6.762 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.842 -8.561 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.308 -8.849 1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.062 -9.107 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.026 -10.433 2.415 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.844 -8.549 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.566 -11.573 3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.134 -12.259 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.298 -9.434 6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.855 -11.053 6.812 1.00 0.00 H new ATOM 678 N ILE A 50 -0.916 -4.458 1.094 1.00 0.00 N ATOM 679 CA ILE A 50 0.256 -3.729 1.563 1.00 0.00 C ATOM 680 C ILE A 50 -0.056 -3.033 2.879 1.00 0.00 C ATOM 681 O ILE A 50 -1.180 -3.111 3.377 1.00 0.00 O ATOM 682 CB ILE A 50 0.743 -2.701 0.520 1.00 0.00 C ATOM 683 CG1 ILE A 50 2.237 -2.427 0.705 1.00 0.00 C ATOM 684 CG2 ILE A 50 -0.060 -1.411 0.614 1.00 0.00 C ATOM 685 CD1 ILE A 50 3.068 -2.734 -0.522 1.00 0.00 C ATOM 0 H ILE A 50 -1.225 -4.205 0.155 1.00 0.00 H new ATOM 0 HA ILE A 50 1.059 -4.451 1.716 1.00 0.00 H new ATOM 0 HB ILE A 50 0.588 -3.119 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.375 -1.380 0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.606 -3.022 1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.302 -0.702 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.113 -1.624 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.056 -0.982 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.116 -2.515 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.961 -3.788 -0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.727 -2.120 -1.356 1.00 0.00 H new ATOM 697 N GLU A 51 0.936 -2.370 3.458 1.00 0.00 N ATOM 698 CA GLU A 51 0.730 -1.694 4.732 1.00 0.00 C ATOM 699 C GLU A 51 1.321 -0.288 4.760 1.00 0.00 C ATOM 700 O GLU A 51 2.537 -0.110 4.685 1.00 0.00 O ATOM 701 CB GLU A 51 1.336 -2.523 5.866 1.00 0.00 C ATOM 702 CG GLU A 51 0.354 -3.485 6.512 1.00 0.00 C ATOM 703 CD GLU A 51 1.001 -4.798 6.906 1.00 0.00 C ATOM 704 OE1 GLU A 51 2.244 -4.891 6.836 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.264 -5.733 7.286 1.00 0.00 O ATOM 0 H GLU A 51 1.877 -2.286 3.074 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.347 -1.596 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.183 -3.089 5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.726 -1.849 6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.079 -3.017 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.466 -3.681 5.821 1.00 0.00 H new ATOM 712 N ILE A 52 0.449 0.704 4.922 1.00 0.00 N ATOM 713 CA ILE A 52 0.870 2.096 5.027 1.00 0.00 C ATOM 714 C ILE A 52 1.572 2.275 6.364 1.00 0.00 C ATOM 715 O ILE A 52 1.202 1.606 7.329 1.00 0.00 O ATOM 716 CB ILE A 52 -0.356 3.035 4.959 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.070 2.865 3.625 1.00 0.00 C ATOM 718 CG2 ILE A 52 0.047 4.488 5.162 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.396 3.607 2.501 1.00 0.00 C ATOM 0 H ILE A 52 -0.560 0.567 4.984 1.00 0.00 H new ATOM 0 HA ILE A 52 1.539 2.344 4.203 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.036 2.763 5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.118 1.805 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.097 3.216 3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.838 5.122 5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.517 4.602 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.752 4.782 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.950 3.448 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.372 4.672 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.623 3.239 2.381 1.00 0.00 H new ATOM 731 N GLU A 53 2.573 3.150 6.466 1.00 0.00 N ATOM 732 CA GLU A 53 3.220 3.286 7.782 1.00 0.00 C ATOM 733 C GLU A 53 2.140 3.592 8.826 1.00 0.00 C ATOM 734 O GLU A 53 0.964 3.693 8.483 1.00 0.00 O ATOM 735 CB GLU A 53 4.307 4.358 7.786 1.00 0.00 C ATOM 736 CG GLU A 53 3.739 5.732 7.716 1.00 0.00 C ATOM 737 CD GLU A 53 2.619 5.799 6.704 1.00 0.00 C ATOM 738 OE1 GLU A 53 1.521 5.318 7.022 1.00 0.00 O ATOM 739 OE2 GLU A 53 2.832 6.363 5.612 1.00 0.00 O ATOM 0 H GLU A 53 2.937 3.739 5.717 1.00 0.00 H new ATOM 0 HA GLU A 53 3.720 2.349 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.908 4.260 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.975 4.199 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.367 6.027 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.522 6.441 7.446 1.00 0.00 H new ATOM 746 N ASP A 54 2.511 3.716 10.095 1.00 0.00 N ATOM 747 CA ASP A 54 1.511 3.994 11.130 1.00 0.00 C ATOM 748 C ASP A 54 1.354 5.486 11.375 1.00 0.00 C ATOM 749 O ASP A 54 0.920 5.914 12.445 1.00 0.00 O ATOM 750 CB ASP A 54 1.856 3.270 12.433 1.00 0.00 C ATOM 751 CG ASP A 54 3.301 3.466 12.844 1.00 0.00 C ATOM 752 OD1 ASP A 54 4.059 4.088 12.072 1.00 0.00 O ATOM 753 OD2 ASP A 54 3.674 2.997 13.940 1.00 0.00 O ATOM 0 H ASP A 54 3.470 3.632 10.431 1.00 0.00 H new ATOM 0 HA ASP A 54 0.556 3.616 10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.204 3.631 13.228 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.657 2.205 12.316 1.00 0.00 H new ATOM 758 N ALA A 55 1.698 6.263 10.371 1.00 0.00 N ATOM 759 CA ALA A 55 1.592 7.708 10.436 1.00 0.00 C ATOM 760 C ALA A 55 0.569 8.212 9.446 1.00 0.00 C ATOM 761 O ALA A 55 -0.038 9.264 9.634 1.00 0.00 O ATOM 762 CB ALA A 55 2.936 8.348 10.128 1.00 0.00 C ATOM 0 H ALA A 55 2.060 5.912 9.484 1.00 0.00 H new ATOM 0 HA ALA A 55 1.279 7.978 11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.843 9.433 10.180 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.674 8.012 10.856 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.256 8.059 9.127 1.00 0.00 H new ATOM 768 N TRP A 56 0.459 7.487 8.346 1.00 0.00 N ATOM 769 CA TRP A 56 -0.403 7.891 7.258 1.00 0.00 C ATOM 770 C TRP A 56 -1.658 7.083 7.102 1.00 0.00 C ATOM 771 O TRP A 56 -2.450 7.358 6.212 1.00 0.00 O ATOM 772 CB TRP A 56 0.395 7.815 5.994 1.00 0.00 C ATOM 773 CG TRP A 56 1.593 8.667 6.098 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.632 8.490 6.959 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.864 9.849 5.368 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.560 9.462 6.788 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.116 10.319 5.817 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.184 10.553 4.361 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.701 11.459 5.302 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.777 11.690 3.847 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.023 12.133 4.314 1.00 0.00 C ATOM 0 H TRP A 56 0.960 6.613 8.186 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.744 8.901 7.486 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.689 6.783 5.802 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.216 8.135 5.150 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.706 7.687 7.678 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.441 9.542 7.297 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.224 10.215 3.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.657 11.809 5.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.272 12.248 3.072 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.460 13.024 3.888 1.00 0.00 H new ATOM 792 N VAL A 57 -1.879 6.115 7.943 1.00 0.00 N ATOM 793 CA VAL A 57 -3.087 5.354 7.829 1.00 0.00 C ATOM 794 C VAL A 57 -4.261 6.266 8.071 1.00 0.00 C ATOM 795 O VAL A 57 -5.293 6.183 7.406 1.00 0.00 O ATOM 796 CB VAL A 57 -3.114 4.226 8.829 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.359 3.405 8.616 1.00 0.00 C ATOM 798 CG2 VAL A 57 -1.851 3.428 8.668 1.00 0.00 C ATOM 0 H VAL A 57 -1.253 5.838 8.700 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.138 4.924 6.829 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.150 4.595 9.854 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.384 2.588 9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.238 4.035 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.358 2.997 7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.847 2.605 9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.799 3.030 7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.989 4.070 8.850 1.00 0.00 H new ATOM 808 N GLU A 58 -4.065 7.175 9.013 1.00 0.00 N ATOM 809 CA GLU A 58 -5.079 8.155 9.334 1.00 0.00 C ATOM 810 C GLU A 58 -5.032 9.268 8.296 1.00 0.00 C ATOM 811 O GLU A 58 -5.896 10.144 8.258 1.00 0.00 O ATOM 812 CB GLU A 58 -4.870 8.720 10.741 1.00 0.00 C ATOM 813 CG GLU A 58 -4.481 7.667 11.765 1.00 0.00 C ATOM 814 CD GLU A 58 -3.463 8.175 12.768 1.00 0.00 C ATOM 815 OE1 GLU A 58 -3.810 9.073 13.563 1.00 0.00 O ATOM 816 OE2 GLU A 58 -2.321 7.672 12.760 1.00 0.00 O ATOM 0 H GLU A 58 -3.211 7.251 9.566 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.059 7.678 9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.094 9.485 10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.787 9.211 11.067 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.373 7.335 12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.074 6.797 11.249 1.00 0.00 H new ATOM 823 N ILE A 59 -4.019 9.195 7.430 1.00 0.00 N ATOM 824 CA ILE A 59 -3.852 10.168 6.352 1.00 0.00 C ATOM 825 C ILE A 59 -4.403 9.582 5.071 1.00 0.00 C ATOM 826 O ILE A 59 -5.013 10.267 4.251 1.00 0.00 O ATOM 827 CB ILE A 59 -2.369 10.522 6.112 1.00 0.00 C ATOM 828 CG1 ILE A 59 -1.901 11.564 7.111 1.00 0.00 C ATOM 829 CG2 ILE A 59 -2.140 11.037 4.694 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.466 11.389 7.517 1.00 0.00 C ATOM 0 H ILE A 59 -3.302 8.470 7.456 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.383 11.074 6.643 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.791 9.607 6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.032 12.556 6.680 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.532 11.517 7.999 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.085 11.277 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.432 10.270 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.739 11.933 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.193 12.165 8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.335 10.409 7.977 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.173 11.466 6.637 1.00 0.00 H new ATOM 842 N VAL A 60 -4.146 8.297 4.914 1.00 0.00 N ATOM 843 CA VAL A 60 -4.563 7.564 3.748 1.00 0.00 C ATOM 844 C VAL A 60 -5.942 6.949 3.965 1.00 0.00 C ATOM 845 O VAL A 60 -6.943 7.551 3.580 1.00 0.00 O ATOM 846 CB VAL A 60 -3.519 6.487 3.394 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.809 5.880 2.031 1.00 0.00 C ATOM 848 CG2 VAL A 60 -2.105 7.078 3.441 1.00 0.00 C ATOM 0 H VAL A 60 -3.639 7.736 5.599 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.637 8.253 2.907 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.582 5.690 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.059 5.123 1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.797 5.421 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.779 6.661 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.379 6.305 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.028 7.896 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.901 7.454 4.444 1.00 0.00 H new ATOM 858 N GLY A 61 -5.988 5.769 4.606 1.00 0.00 N ATOM 859 CA GLY A 61 -7.261 5.102 4.887 1.00 0.00 C ATOM 860 C GLY A 61 -8.403 5.620 4.031 1.00 0.00 C ATOM 861 O GLY A 61 -9.452 6.006 4.549 1.00 0.00 O ATOM 0 H GLY A 61 -5.164 5.265 4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.148 4.030 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.512 5.238 5.939 1.00 0.00 H new ATOM 865 N GLU A 62 -8.180 5.667 2.722 1.00 0.00 N ATOM 866 CA GLU A 62 -9.174 6.186 1.787 1.00 0.00 C ATOM 867 C GLU A 62 -10.112 5.106 1.276 1.00 0.00 C ATOM 868 O GLU A 62 -11.164 5.404 0.710 1.00 0.00 O ATOM 869 CB GLU A 62 -8.471 6.837 0.604 1.00 0.00 C ATOM 870 CG GLU A 62 -7.843 8.182 0.929 1.00 0.00 C ATOM 871 CD GLU A 62 -8.330 9.288 0.013 1.00 0.00 C ATOM 872 OE1 GLU A 62 -9.512 9.249 -0.387 1.00 0.00 O ATOM 873 OE2 GLU A 62 -7.529 10.194 -0.303 1.00 0.00 O ATOM 0 H GLU A 62 -7.316 5.351 2.282 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.775 6.917 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.696 6.163 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.188 6.968 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.069 8.445 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.759 8.101 0.851 1.00 0.00 H new ATOM 880 N ALA A 63 -9.729 3.856 1.455 1.00 0.00 N ATOM 881 CA ALA A 63 -10.551 2.753 0.977 1.00 0.00 C ATOM 882 C ALA A 63 -11.995 2.932 1.391 1.00 0.00 C ATOM 883 O ALA A 63 -12.298 3.595 2.383 1.00 0.00 O ATOM 884 CB ALA A 63 -10.073 1.409 1.498 1.00 0.00 C ATOM 0 H ALA A 63 -8.866 3.578 1.921 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.464 2.764 -0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.718 0.619 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.049 1.234 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.108 1.408 2.587 1.00 0.00 H new ATOM 890 N ASN A 64 -12.875 2.298 0.644 1.00 0.00 N ATOM 891 CA ASN A 64 -14.279 2.328 0.930 1.00 0.00 C ATOM 892 C ASN A 64 -14.607 1.164 1.840 1.00 0.00 C ATOM 893 O ASN A 64 -13.746 0.346 2.166 1.00 0.00 O ATOM 894 CB ASN A 64 -15.098 2.228 -0.368 1.00 0.00 C ATOM 895 CG ASN A 64 -14.304 1.661 -1.530 1.00 0.00 C ATOM 896 OD1 ASN A 64 -14.057 2.348 -2.520 1.00 0.00 O ATOM 897 ND2 ASN A 64 -13.900 0.402 -1.411 1.00 0.00 N ATOM 0 H ASN A 64 -12.628 1.748 -0.179 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.533 3.270 1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.972 1.600 -0.192 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.466 3.218 -0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.361 -0.034 -2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.128 -0.130 -0.571 1.00 0.00 H new ATOM 904 N PRO A 65 -15.862 1.064 2.229 1.00 0.00 N ATOM 905 CA PRO A 65 -16.358 -0.009 3.072 1.00 0.00 C ATOM 906 C PRO A 65 -16.587 -1.277 2.253 1.00 0.00 C ATOM 907 O PRO A 65 -17.221 -2.226 2.715 1.00 0.00 O ATOM 908 CB PRO A 65 -17.691 0.540 3.609 1.00 0.00 C ATOM 909 CG PRO A 65 -17.852 1.911 3.013 1.00 0.00 C ATOM 910 CD PRO A 65 -16.910 1.987 1.845 1.00 0.00 C ATOM 0 HA PRO A 65 -15.662 -0.283 3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.521 -0.107 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.682 0.588 4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.881 2.075 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.621 2.682 3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.393 1.689 0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.528 2.997 1.697 1.00 0.00 H new ATOM 918 N ASP A 66 -16.064 -1.276 1.022 1.00 0.00 N ATOM 919 CA ASP A 66 -16.203 -2.410 0.120 1.00 0.00 C ATOM 920 C ASP A 66 -15.017 -3.356 0.240 1.00 0.00 C ATOM 921 O ASP A 66 -15.168 -4.515 0.625 1.00 0.00 O ATOM 922 CB ASP A 66 -16.336 -1.921 -1.323 1.00 0.00 C ATOM 923 CG ASP A 66 -17.782 -1.784 -1.756 1.00 0.00 C ATOM 924 OD1 ASP A 66 -18.423 -2.823 -2.022 1.00 0.00 O ATOM 925 OD2 ASP A 66 -18.273 -0.638 -1.831 1.00 0.00 O ATOM 0 H ASP A 66 -15.538 -0.494 0.631 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.104 -2.956 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.836 -0.958 -1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.825 -2.617 -1.988 1.00 0.00 H new ATOM 930 N GLU A 67 -13.837 -2.852 -0.109 1.00 0.00 N ATOM 931 CA GLU A 67 -12.623 -3.658 -0.054 1.00 0.00 C ATOM 932 C GLU A 67 -12.364 -4.166 1.360 1.00 0.00 C ATOM 933 O GLU A 67 -11.729 -5.204 1.548 1.00 0.00 O ATOM 934 CB GLU A 67 -11.421 -2.859 -0.561 1.00 0.00 C ATOM 935 CG GLU A 67 -11.140 -1.596 0.235 1.00 0.00 C ATOM 936 CD GLU A 67 -10.504 -0.508 -0.610 1.00 0.00 C ATOM 937 OE1 GLU A 67 -11.244 0.196 -1.329 1.00 0.00 O ATOM 938 OE2 GLU A 67 -9.265 -0.361 -0.553 1.00 0.00 O ATOM 0 H GLU A 67 -13.696 -1.894 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.766 -4.521 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.537 -3.496 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.590 -2.589 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.072 -1.223 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.481 -1.835 1.070 1.00 0.00 H new ATOM 945 N ASN A 68 -12.866 -3.437 2.350 1.00 0.00 N ATOM 946 CA ASN A 68 -12.693 -3.827 3.744 1.00 0.00 C ATOM 947 C ASN A 68 -13.562 -5.038 4.066 1.00 0.00 C ATOM 948 O ASN A 68 -13.142 -5.946 4.784 1.00 0.00 O ATOM 949 CB ASN A 68 -13.043 -2.663 4.674 1.00 0.00 C ATOM 950 CG ASN A 68 -13.003 -3.058 6.137 1.00 0.00 C ATOM 951 OD1 ASN A 68 -13.893 -2.705 6.912 1.00 0.00 O ATOM 952 ND2 ASN A 68 -11.967 -3.792 6.525 1.00 0.00 N ATOM 0 H ASN A 68 -13.395 -2.575 2.214 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.648 -4.094 3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.346 -1.843 4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.038 -2.292 4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.886 -4.086 7.498 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.252 -4.062 5.850 1.00 0.00 H new ATOM 959 N ASP A 69 -14.773 -5.050 3.516 1.00 0.00 N ATOM 960 CA ASP A 69 -15.700 -6.155 3.729 1.00 0.00 C ATOM 961 C ASP A 69 -15.366 -7.309 2.793 1.00 0.00 C ATOM 962 O ASP A 69 -15.575 -8.476 3.124 1.00 0.00 O ATOM 963 CB ASP A 69 -17.140 -5.691 3.503 1.00 0.00 C ATOM 964 CG ASP A 69 -18.148 -6.545 4.250 1.00 0.00 C ATOM 965 OD1 ASP A 69 -17.738 -7.563 4.844 1.00 0.00 O ATOM 966 OD2 ASP A 69 -19.347 -6.195 4.240 1.00 0.00 O ATOM 0 H ASP A 69 -15.135 -4.306 2.919 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.602 -6.499 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -17.239 -4.654 3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.364 -5.718 2.437 1.00 0.00 H new ATOM 971 N LEU A 70 -14.833 -6.969 1.625 1.00 0.00 N ATOM 972 CA LEU A 70 -14.452 -7.968 0.635 1.00 0.00 C ATOM 973 C LEU A 70 -13.243 -8.758 1.127 1.00 0.00 C ATOM 974 O LEU A 70 -12.998 -9.881 0.686 1.00 0.00 O ATOM 975 CB LEU A 70 -14.145 -7.289 -0.706 1.00 0.00 C ATOM 976 CG LEU A 70 -12.975 -7.884 -1.496 1.00 0.00 C ATOM 977 CD1 LEU A 70 -13.372 -9.212 -2.119 1.00 0.00 C ATOM 978 CD2 LEU A 70 -12.506 -6.908 -2.564 1.00 0.00 C ATOM 0 H LEU A 70 -14.655 -6.006 1.340 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.281 -8.660 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.039 -7.332 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.936 -6.235 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.149 -8.064 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.528 -9.619 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.660 -9.911 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.213 -9.060 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.674 -7.345 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.327 -6.697 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.180 -5.981 -2.092 1.00 0.00 H new ATOM 990 N LEU A 71 -12.494 -8.161 2.049 1.00 0.00 N ATOM 991 CA LEU A 71 -11.314 -8.804 2.613 1.00 0.00 C ATOM 992 C LEU A 71 -11.697 -9.655 3.816 1.00 0.00 C ATOM 993 O LEU A 71 -11.240 -10.788 3.960 1.00 0.00 O ATOM 994 CB LEU A 71 -10.282 -7.752 3.025 1.00 0.00 C ATOM 995 CG LEU A 71 -8.846 -8.044 2.587 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.775 -8.224 1.078 1.00 0.00 C ATOM 997 CD2 LEU A 71 -7.918 -6.926 3.037 1.00 0.00 C ATOM 0 H LEU A 71 -12.685 -7.231 2.422 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.876 -9.449 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.583 -6.789 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.301 -7.653 4.110 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.522 -8.972 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.746 -8.431 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.412 -9.057 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.116 -7.313 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.900 -7.148 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.240 -5.984 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.948 -6.843 4.123 1.00 0.00 H new ATOM 1009 N GLN A 72 -12.544 -9.102 4.675 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.997 -9.808 5.866 1.00 0.00 C ATOM 1011 C GLN A 72 -13.515 -11.198 5.508 1.00 0.00 C ATOM 1012 O GLN A 72 -13.333 -12.153 6.262 1.00 0.00 O ATOM 1013 CB GLN A 72 -14.095 -9.008 6.567 1.00 0.00 C ATOM 1014 CG GLN A 72 -13.593 -8.189 7.744 1.00 0.00 C ATOM 1015 CD GLN A 72 -12.771 -6.991 7.313 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -13.249 -5.856 7.330 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -11.527 -7.236 6.921 1.00 0.00 N ATOM 0 H GLN A 72 -12.932 -8.165 4.568 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.148 -9.918 6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.564 -8.340 5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.867 -9.694 6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.444 -7.848 8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -12.990 -8.824 8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.171 -8.192 6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.927 -6.469 6.618 1.00 0.00 H new ATOM 1026 N SER A 73 -14.165 -11.300 4.354 1.00 0.00 N ATOM 1027 CA SER A 73 -14.716 -12.572 3.895 1.00 0.00 C ATOM 1028 C SER A 73 -13.615 -13.516 3.419 1.00 0.00 C ATOM 1029 O SER A 73 -13.793 -14.735 3.417 1.00 0.00 O ATOM 1030 CB SER A 73 -15.721 -12.338 2.767 1.00 0.00 C ATOM 1031 OG SER A 73 -16.997 -12.853 3.105 1.00 0.00 O ATOM 0 H SER A 73 -14.324 -10.518 3.719 1.00 0.00 H new ATOM 0 HA SER A 73 -15.223 -13.038 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.799 -11.270 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.364 -12.813 1.853 1.00 0.00 H new ATOM 0 HG SER A 73 -17.622 -12.689 2.368 1.00 0.00 H new ATOM 1037 N THR A 74 -12.484 -12.953 3.012 1.00 0.00 N ATOM 1038 CA THR A 74 -11.365 -13.758 2.532 1.00 0.00 C ATOM 1039 C THR A 74 -11.025 -14.869 3.520 1.00 0.00 C ATOM 1040 O THR A 74 -11.035 -16.049 3.169 1.00 0.00 O ATOM 1041 CB THR A 74 -10.134 -12.880 2.293 1.00 0.00 C ATOM 1042 OG1 THR A 74 -9.619 -12.393 3.519 1.00 0.00 O ATOM 1043 CG2 THR A 74 -10.410 -11.690 1.401 1.00 0.00 C ATOM 0 H THR A 74 -12.316 -11.947 3.004 1.00 0.00 H new ATOM 0 HA THR A 74 -11.665 -14.214 1.588 1.00 0.00 H new ATOM 0 HB THR A 74 -9.412 -13.525 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.307 -11.865 3.976 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.495 -11.111 1.273 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.758 -12.037 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.176 -11.063 1.858 1.00 0.00 H new ATOM 1051 N GLY A 75 -10.723 -14.485 4.756 1.00 0.00 N ATOM 1052 CA GLY A 75 -10.382 -15.463 5.773 1.00 0.00 C ATOM 1053 C GLY A 75 -8.973 -15.281 6.299 1.00 0.00 C ATOM 1054 O GLY A 75 -8.567 -15.949 7.251 1.00 0.00 O ATOM 0 H GLY A 75 -10.708 -13.515 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.088 -15.385 6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.486 -16.466 5.358 1.00 0.00 H new ATOM 1058 N GLU A 76 -8.226 -14.375 5.677 1.00 0.00 N ATOM 1059 CA GLU A 76 -6.853 -14.105 6.087 1.00 0.00 C ATOM 1060 C GLU A 76 -6.804 -12.979 7.114 1.00 0.00 C ATOM 1061 O GLU A 76 -7.441 -11.940 6.943 1.00 0.00 O ATOM 1062 CB GLU A 76 -5.999 -13.737 4.871 1.00 0.00 C ATOM 1063 CG GLU A 76 -6.423 -14.443 3.594 1.00 0.00 C ATOM 1064 CD GLU A 76 -5.245 -14.816 2.715 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -4.419 -13.928 2.421 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -5.150 -15.999 2.321 1.00 0.00 O ATOM 0 H GLU A 76 -8.548 -13.816 4.887 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.452 -15.009 6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.050 -12.659 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.958 -13.980 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.981 -15.344 3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.100 -13.798 3.034 1.00 0.00 H new ATOM 1073 N PRO A 77 -6.040 -13.174 8.198 1.00 0.00 N ATOM 1074 CA PRO A 77 -5.900 -12.177 9.262 1.00 0.00 C ATOM 1075 C PRO A 77 -5.497 -10.810 8.719 1.00 0.00 C ATOM 1076 O PRO A 77 -5.288 -10.645 7.517 1.00 0.00 O ATOM 1077 CB PRO A 77 -4.794 -12.748 10.163 1.00 0.00 C ATOM 1078 CG PRO A 77 -4.173 -13.860 9.381 1.00 0.00 C ATOM 1079 CD PRO A 77 -5.250 -14.378 8.473 1.00 0.00 C ATOM 0 HA PRO A 77 -6.841 -12.012 9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.057 -11.984 10.411 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.205 -13.113 11.105 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.317 -13.503 8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.809 -14.646 10.042 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.839 -14.810 7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.847 -15.154 8.953 1.00 0.00 H new ATOM 1087 N MET A 78 -5.392 -9.832 9.612 1.00 0.00 N ATOM 1088 CA MET A 78 -5.017 -8.477 9.221 1.00 0.00 C ATOM 1089 C MET A 78 -4.305 -7.759 10.362 1.00 0.00 C ATOM 1090 O MET A 78 -3.995 -8.360 11.391 1.00 0.00 O ATOM 1091 CB MET A 78 -6.256 -7.687 8.797 1.00 0.00 C ATOM 1092 CG MET A 78 -6.790 -8.085 7.431 1.00 0.00 C ATOM 1093 SD MET A 78 -8.394 -7.345 7.067 1.00 0.00 S ATOM 1094 CE MET A 78 -7.889 -5.748 6.434 1.00 0.00 C ATOM 0 H MET A 78 -5.561 -9.951 10.611 1.00 0.00 H new ATOM 0 HA MET A 78 -4.331 -8.544 8.376 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.040 -7.830 9.541 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.014 -6.624 8.788 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.075 -7.786 6.665 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.876 -9.170 7.381 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.693 -5.324 5.832 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.668 -5.080 7.266 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.998 -5.866 5.818 1.00 0.00 H new ATOM 1104 N THR A 79 -4.049 -6.469 10.173 1.00 0.00 N ATOM 1105 CA THR A 79 -3.374 -5.666 11.186 1.00 0.00 C ATOM 1106 C THR A 79 -3.761 -4.196 11.062 1.00 0.00 C ATOM 1107 O THR A 79 -4.738 -3.855 10.396 1.00 0.00 O ATOM 1108 CB THR A 79 -1.859 -5.821 11.062 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.308 -4.770 10.287 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.443 -7.129 10.425 1.00 0.00 C ATOM 0 H THR A 79 -4.299 -5.957 9.327 1.00 0.00 H new ATOM 0 HA THR A 79 -3.689 -6.023 12.167 1.00 0.00 H new ATOM 0 HB THR A 79 -1.481 -5.796 12.084 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.859 -4.629 9.489 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.356 -7.176 10.367 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.810 -7.960 11.027 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.863 -7.195 9.421 1.00 0.00 H new ATOM 1118 N ALA A 80 -2.990 -3.330 11.712 1.00 0.00 N ATOM 1119 CA ALA A 80 -3.257 -1.896 11.680 1.00 0.00 C ATOM 1120 C ALA A 80 -2.531 -1.217 10.521 1.00 0.00 C ATOM 1121 O ALA A 80 -1.380 -1.535 10.221 1.00 0.00 O ATOM 1122 CB ALA A 80 -2.853 -1.259 13.001 1.00 0.00 C ATOM 0 H ALA A 80 -2.176 -3.596 12.267 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.327 -1.758 11.528 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.057 -0.189 12.966 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.424 -1.711 13.812 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.789 -1.421 13.172 1.00 0.00 H new ATOM 1128 N GLY A 81 -3.216 -0.276 9.879 1.00 0.00 N ATOM 1129 CA GLY A 81 -2.632 0.449 8.765 1.00 0.00 C ATOM 1130 C GLY A 81 -2.684 -0.327 7.462 1.00 0.00 C ATOM 1131 O GLY A 81 -2.427 0.229 6.394 1.00 0.00 O ATOM 0 H GLY A 81 -4.170 -0.001 10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.157 1.396 8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.594 0.689 8.998 1.00 0.00 H new ATOM 1135 N THR A 82 -3.017 -1.611 7.545 1.00 0.00 N ATOM 1136 CA THR A 82 -3.104 -2.455 6.358 1.00 0.00 C ATOM 1137 C THR A 82 -4.032 -1.830 5.322 1.00 0.00 C ATOM 1138 O THR A 82 -5.020 -1.184 5.672 1.00 0.00 O ATOM 1139 CB THR A 82 -3.602 -3.850 6.733 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.340 -4.123 8.099 1.00 0.00 O ATOM 1141 CG2 THR A 82 -2.969 -4.955 5.911 1.00 0.00 C ATOM 0 H THR A 82 -3.231 -2.089 8.420 1.00 0.00 H new ATOM 0 HA THR A 82 -2.107 -2.541 5.926 1.00 0.00 H new ATOM 0 HB THR A 82 -4.673 -3.840 6.530 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.128 -3.894 8.635 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.367 -5.919 6.229 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.195 -4.799 4.856 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.889 -4.943 6.056 1.00 0.00 H new ATOM 1149 N ARG A 83 -3.712 -2.022 4.047 1.00 0.00 N ATOM 1150 CA ARG A 83 -4.525 -1.470 2.970 1.00 0.00 C ATOM 1151 C ARG A 83 -4.249 -2.184 1.653 1.00 0.00 C ATOM 1152 O ARG A 83 -3.370 -3.042 1.571 1.00 0.00 O ATOM 1153 CB ARG A 83 -4.250 0.027 2.812 1.00 0.00 C ATOM 1154 CG ARG A 83 -5.370 0.913 3.330 1.00 0.00 C ATOM 1155 CD ARG A 83 -6.671 0.669 2.579 1.00 0.00 C ATOM 1156 NE ARG A 83 -7.696 1.634 2.935 1.00 0.00 N ATOM 1157 CZ ARG A 83 -8.208 1.752 4.158 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -7.845 0.910 5.118 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -9.110 2.689 4.416 1.00 0.00 N ATOM 0 H ARG A 83 -2.899 -2.553 3.735 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.573 -1.619 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.329 0.276 3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.083 0.247 1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.522 0.724 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.082 1.960 3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.485 0.718 1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.030 -0.337 2.795 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.044 2.257 2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.172 0.170 4.920 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.239 1.003 6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.414 3.322 3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.500 2.777 5.354 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.002 -1.815 0.625 1.00 0.00 N ATOM 1174 CA LEU A 84 -4.840 -2.408 -0.695 1.00 0.00 C ATOM 1175 C LEU A 84 -3.772 -1.658 -1.485 1.00 0.00 C ATOM 1176 O LEU A 84 -3.841 -0.439 -1.641 1.00 0.00 O ATOM 1177 CB LEU A 84 -6.167 -2.383 -1.450 1.00 0.00 C ATOM 1178 CG LEU A 84 -7.251 -3.310 -0.898 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -7.214 -4.654 -1.608 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -7.088 -3.491 0.603 1.00 0.00 C ATOM 0 H LEU A 84 -5.733 -1.106 0.681 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.523 -3.444 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.549 -1.362 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.979 -2.650 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.222 -2.851 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.992 -5.301 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.384 -4.507 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.240 -5.119 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.869 -4.154 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.111 -3.927 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.167 -2.523 1.097 1.00 0.00 H new ATOM 1192 N SER A 85 -2.780 -2.394 -1.970 1.00 0.00 N ATOM 1193 CA SER A 85 -1.685 -1.800 -2.730 1.00 0.00 C ATOM 1194 C SER A 85 -2.181 -1.106 -4.000 1.00 0.00 C ATOM 1195 O SER A 85 -1.784 0.024 -4.291 1.00 0.00 O ATOM 1196 CB SER A 85 -0.653 -2.870 -3.090 1.00 0.00 C ATOM 1197 OG SER A 85 0.642 -2.496 -2.654 1.00 0.00 O ATOM 0 H SER A 85 -2.710 -3.405 -1.851 1.00 0.00 H new ATOM 0 HA SER A 85 -1.221 -1.043 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.934 -3.819 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.646 -3.025 -4.169 1.00 0.00 H new ATOM 0 HG SER A 85 1.283 -3.197 -2.894 1.00 0.00 H new ATOM 1203 N CYS A 86 -3.030 -1.787 -4.765 1.00 0.00 N ATOM 1204 CA CYS A 86 -3.551 -1.227 -6.012 1.00 0.00 C ATOM 1205 C CYS A 86 -4.857 -0.468 -5.797 1.00 0.00 C ATOM 1206 O CYS A 86 -5.580 -0.186 -6.754 1.00 0.00 O ATOM 1207 CB CYS A 86 -3.766 -2.335 -7.043 1.00 0.00 C ATOM 1208 SG CYS A 86 -5.280 -3.311 -6.782 1.00 0.00 S ATOM 0 H CYS A 86 -3.371 -2.723 -4.546 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.809 -0.520 -6.382 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.801 -1.889 -8.037 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.907 -3.005 -7.024 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.374 -4.221 -7.705 1.00 0.00 H new ATOM 1213 N GLN A 87 -5.162 -0.133 -4.550 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.387 0.596 -4.244 1.00 0.00 C ATOM 1215 C GLN A 87 -6.073 1.947 -3.611 1.00 0.00 C ATOM 1216 O GLN A 87 -6.909 2.851 -3.605 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.280 -0.227 -3.317 1.00 0.00 C ATOM 1218 CG GLN A 87 -8.741 -0.243 -3.734 1.00 0.00 C ATOM 1219 CD GLN A 87 -9.158 -1.568 -4.339 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -8.608 -2.003 -5.351 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -10.133 -2.221 -3.717 1.00 0.00 N ATOM 0 H GLN A 87 -4.583 -0.352 -3.739 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.919 0.772 -5.179 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.909 -1.251 -3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.204 0.172 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.365 -0.031 -2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.918 0.554 -4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.561 -1.823 -2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.454 -3.120 -4.075 1.00 0.00 H new ATOM 1230 N VAL A 88 -4.858 2.082 -3.087 1.00 0.00 N ATOM 1231 CA VAL A 88 -4.426 3.319 -2.465 1.00 0.00 C ATOM 1232 C VAL A 88 -3.732 4.208 -3.488 1.00 0.00 C ATOM 1233 O VAL A 88 -2.776 3.786 -4.131 1.00 0.00 O ATOM 1234 CB VAL A 88 -3.465 3.031 -1.296 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -2.654 4.265 -0.948 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -4.234 2.525 -0.087 1.00 0.00 C ATOM 0 H VAL A 88 -4.155 1.343 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.307 3.833 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.770 2.251 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.983 4.038 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.070 4.573 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.326 5.073 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.539 2.327 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.956 3.279 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.759 1.606 -0.348 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.222 5.435 -3.645 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.637 6.361 -4.607 1.00 0.00 C ATOM 1248 C PHE A 89 -3.290 7.706 -3.989 1.00 0.00 C ATOM 1249 O PHE A 89 -3.840 8.109 -2.964 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.581 6.562 -5.782 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.736 5.326 -6.605 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -5.207 4.158 -6.025 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -4.405 5.325 -7.952 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -5.348 3.004 -6.773 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -4.543 4.174 -8.712 1.00 0.00 C ATOM 1256 CZ PHE A 89 -5.017 3.011 -8.121 1.00 0.00 C ATOM 0 H PHE A 89 -5.015 5.807 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.705 5.913 -4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.558 6.873 -5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.207 7.370 -6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.467 4.150 -4.977 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.036 6.229 -8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.715 2.100 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.283 4.182 -9.760 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.128 2.112 -8.709 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.350 8.380 -4.635 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.863 9.674 -4.204 1.00 0.00 C ATOM 1268 C ILE A 90 -2.868 10.802 -4.449 1.00 0.00 C ATOM 1269 O ILE A 90 -3.741 10.708 -5.312 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.548 9.972 -4.933 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.488 8.926 -4.553 1.00 0.00 C ATOM 1272 CG2 ILE A 90 -0.018 11.340 -4.583 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.254 9.302 -3.302 1.00 0.00 C ATOM 0 H ILE A 90 -1.901 8.036 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.707 9.630 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.744 9.944 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.007 7.967 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.187 8.794 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.915 11.517 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.749 12.097 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.163 11.396 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.981 8.523 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.773 10.247 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.560 9.407 -2.468 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.725 11.863 -3.658 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.573 13.030 -3.716 1.00 0.00 C ATOM 1287 C ASP A 91 -3.011 14.019 -2.702 1.00 0.00 C ATOM 1288 O ASP A 91 -2.173 13.635 -1.888 1.00 0.00 O ATOM 1289 CB ASP A 91 -5.020 12.629 -3.374 1.00 0.00 C ATOM 1290 CG ASP A 91 -5.426 12.984 -1.953 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -5.768 14.162 -1.710 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.403 12.084 -1.087 1.00 0.00 O ATOM 0 H ASP A 91 -1.997 11.927 -2.946 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.591 13.479 -4.709 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.699 13.120 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.135 11.555 -3.519 1.00 0.00 H new ATOM 1297 N PRO A 92 -3.438 15.282 -2.707 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.948 16.284 -1.750 1.00 0.00 C ATOM 1299 C PRO A 92 -3.372 15.938 -0.325 1.00 0.00 C ATOM 1300 O PRO A 92 -3.859 16.781 0.428 1.00 0.00 O ATOM 1301 CB PRO A 92 -3.601 17.589 -2.229 1.00 0.00 C ATOM 1302 CG PRO A 92 -4.061 17.297 -3.622 1.00 0.00 C ATOM 1303 CD PRO A 92 -4.415 15.839 -3.628 1.00 0.00 C ATOM 0 HA PRO A 92 -1.860 16.346 -1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.436 17.872 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.891 18.416 -2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.921 17.911 -3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.277 17.514 -4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.437 15.667 -3.291 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.330 15.404 -4.624 1.00 0.00 H new ATOM 1311 N SER A 93 -3.183 14.668 0.011 1.00 0.00 N ATOM 1312 CA SER A 93 -3.527 14.120 1.312 1.00 0.00 C ATOM 1313 C SER A 93 -2.484 13.084 1.733 1.00 0.00 C ATOM 1314 O SER A 93 -2.144 12.957 2.909 1.00 0.00 O ATOM 1315 CB SER A 93 -4.891 13.445 1.220 1.00 0.00 C ATOM 1316 OG SER A 93 -4.753 12.036 1.155 1.00 0.00 O ATOM 0 H SER A 93 -2.779 13.980 -0.625 1.00 0.00 H new ATOM 0 HA SER A 93 -3.553 14.924 2.048 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.495 13.716 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.420 13.804 0.337 1.00 0.00 H new ATOM 0 HG SER A 93 -4.709 11.754 0.217 1.00 0.00 H new ATOM 1322 N MET A 94 -1.995 12.339 0.741 1.00 0.00 N ATOM 1323 CA MET A 94 -1.006 11.299 0.941 1.00 0.00 C ATOM 1324 C MET A 94 0.290 11.685 0.254 1.00 0.00 C ATOM 1325 O MET A 94 0.917 10.869 -0.422 1.00 0.00 O ATOM 1326 CB MET A 94 -1.532 9.996 0.349 1.00 0.00 C ATOM 1327 CG MET A 94 -2.717 9.427 1.104 1.00 0.00 C ATOM 1328 SD MET A 94 -3.908 8.627 0.017 1.00 0.00 S ATOM 1329 CE MET A 94 -3.008 7.142 -0.412 1.00 0.00 C ATOM 0 H MET A 94 -2.283 12.448 -0.232 1.00 0.00 H new ATOM 0 HA MET A 94 -0.818 11.171 2.007 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.820 10.167 -0.688 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.729 9.259 0.340 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.362 8.707 1.841 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.212 10.228 1.653 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.707 6.380 -0.757 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.295 7.365 -1.205 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.473 6.775 0.464 1.00 0.00 H new ATOM 1339 N ASP A 95 0.677 12.937 0.423 1.00 0.00 N ATOM 1340 CA ASP A 95 1.867 13.446 -0.174 1.00 0.00 C ATOM 1341 C ASP A 95 3.023 13.248 0.777 1.00 0.00 C ATOM 1342 O ASP A 95 2.981 13.706 1.919 1.00 0.00 O ATOM 1343 CB ASP A 95 1.679 14.925 -0.528 1.00 0.00 C ATOM 1344 CG ASP A 95 0.222 15.282 -0.739 1.00 0.00 C ATOM 1345 OD1 ASP A 95 -0.298 15.010 -1.841 1.00 0.00 O ATOM 1346 OD2 ASP A 95 -0.398 15.832 0.196 1.00 0.00 O ATOM 0 H ASP A 95 0.164 13.619 0.982 1.00 0.00 H new ATOM 0 HA ASP A 95 2.084 12.908 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.091 15.543 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.242 15.155 -1.432 1.00 0.00 H new ATOM 1351 N GLY A 96 4.024 12.505 0.341 1.00 0.00 N ATOM 1352 CA GLY A 96 5.113 12.212 1.231 1.00 0.00 C ATOM 1353 C GLY A 96 4.680 11.094 2.131 1.00 0.00 C ATOM 1354 O GLY A 96 5.120 10.996 3.270 1.00 0.00 O ATOM 0 H GLY A 96 4.099 12.108 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.001 11.927 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.376 13.093 1.816 1.00 0.00 H new ATOM 1358 N LEU A 97 3.768 10.265 1.603 1.00 0.00 N ATOM 1359 CA LEU A 97 3.209 9.158 2.353 1.00 0.00 C ATOM 1360 C LEU A 97 4.190 8.010 2.452 1.00 0.00 C ATOM 1361 O LEU A 97 5.024 7.797 1.575 1.00 0.00 O ATOM 1362 CB LEU A 97 1.836 8.749 1.778 1.00 0.00 C ATOM 1363 CG LEU A 97 1.679 7.320 1.247 1.00 0.00 C ATOM 1364 CD1 LEU A 97 2.505 7.130 -0.005 1.00 0.00 C ATOM 1365 CD2 LEU A 97 2.035 6.284 2.302 1.00 0.00 C ATOM 0 H LEU A 97 3.407 10.351 0.653 1.00 0.00 H new ATOM 0 HA LEU A 97 3.029 9.481 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.089 8.901 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.595 9.436 0.967 1.00 0.00 H new ATOM 0 HG LEU A 97 0.629 7.171 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.383 6.110 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.173 7.832 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.556 7.311 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.911 5.284 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.071 6.422 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.379 6.403 3.164 1.00 0.00 H new ATOM 1377 N ILE A 98 4.117 7.311 3.568 1.00 0.00 N ATOM 1378 CA ILE A 98 5.031 6.221 3.838 1.00 0.00 C ATOM 1379 C ILE A 98 4.356 4.869 3.754 1.00 0.00 C ATOM 1380 O ILE A 98 3.230 4.683 4.207 1.00 0.00 O ATOM 1381 CB ILE A 98 5.679 6.367 5.216 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.432 7.684 5.302 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.590 5.198 5.531 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.505 8.849 5.135 1.00 0.00 C ATOM 0 H ILE A 98 3.431 7.480 4.304 1.00 0.00 H new ATOM 0 HA ILE A 98 5.798 6.274 3.065 1.00 0.00 H new ATOM 0 HB ILE A 98 4.887 6.367 5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.939 7.754 6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.203 7.716 4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.032 5.337 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.013 4.273 5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.381 5.142 4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.072 9.778 5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.018 8.790 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.750 8.828 5.921 1.00 0.00 H new ATOM 1396 N VAL A 99 5.045 3.920 3.164 1.00 0.00 N ATOM 1397 CA VAL A 99 4.494 2.600 3.031 1.00 0.00 C ATOM 1398 C VAL A 99 5.240 1.560 3.856 1.00 0.00 C ATOM 1399 O VAL A 99 6.181 1.884 4.573 1.00 0.00 O ATOM 1400 CB VAL A 99 4.430 2.159 1.584 1.00 0.00 C ATOM 1401 CG1 VAL A 99 3.140 1.414 1.391 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.500 3.356 0.654 1.00 0.00 C ATOM 0 H VAL A 99 5.979 4.039 2.773 1.00 0.00 H new ATOM 0 HA VAL A 99 3.479 2.668 3.423 1.00 0.00 H new ATOM 0 HB VAL A 99 5.278 1.516 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.063 1.082 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.117 0.548 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.302 2.071 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.452 3.016 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.662 4.023 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.436 3.890 0.818 1.00 0.00 H new ATOM 1412 N ARG A 100 4.790 0.310 3.754 1.00 0.00 N ATOM 1413 CA ARG A 100 5.388 -0.807 4.482 1.00 0.00 C ATOM 1414 C ARG A 100 4.898 -2.139 3.914 1.00 0.00 C ATOM 1415 O ARG A 100 3.708 -2.302 3.646 1.00 0.00 O ATOM 1416 CB ARG A 100 5.027 -0.731 5.964 1.00 0.00 C ATOM 1417 CG ARG A 100 6.077 -0.051 6.821 1.00 0.00 C ATOM 1418 CD ARG A 100 5.589 0.111 8.247 1.00 0.00 C ATOM 1419 NE ARG A 100 6.364 -0.694 9.190 1.00 0.00 N ATOM 1420 CZ ARG A 100 7.399 -0.233 9.888 1.00 0.00 C ATOM 1421 NH1 ARG A 100 7.799 1.024 9.743 1.00 0.00 N ATOM 1422 NH2 ARG A 100 8.037 -1.030 10.733 1.00 0.00 N ATOM 0 H ARG A 100 4.001 0.044 3.165 1.00 0.00 H new ATOM 0 HA ARG A 100 6.470 -0.743 4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.084 -0.196 6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.864 -1.741 6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.996 -0.637 6.811 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.318 0.926 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.649 1.161 8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.539 -0.175 8.305 1.00 0.00 H new ATOM 0 HE ARG A 100 6.095 -1.669 9.321 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.312 1.642 9.094 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.593 1.372 10.281 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.735 -1.997 10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.830 -0.676 11.268 1.00 0.00 H new ATOM 1436 N VAL A 101 5.811 -3.093 3.736 1.00 0.00 N ATOM 1437 CA VAL A 101 5.442 -4.401 3.208 1.00 0.00 C ATOM 1438 C VAL A 101 5.305 -5.424 4.330 1.00 0.00 C ATOM 1439 O VAL A 101 6.166 -5.520 5.204 1.00 0.00 O ATOM 1440 CB VAL A 101 6.473 -4.914 2.185 1.00 0.00 C ATOM 1441 CG1 VAL A 101 6.148 -6.340 1.759 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.536 -3.989 0.978 1.00 0.00 C ATOM 0 H VAL A 101 6.803 -2.984 3.948 1.00 0.00 H new ATOM 0 HA VAL A 101 4.482 -4.278 2.707 1.00 0.00 H new ATOM 0 HB VAL A 101 7.453 -4.919 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.889 -6.682 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.164 -6.993 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.158 -6.367 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.270 -4.368 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.557 -3.946 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.827 -2.989 1.301 1.00 0.00 H new ATOM 1452 N PRO A 102 4.212 -6.203 4.315 1.00 0.00 N ATOM 1453 CA PRO A 102 3.948 -7.227 5.327 1.00 0.00 C ATOM 1454 C PRO A 102 5.135 -8.135 5.579 1.00 0.00 C ATOM 1455 O PRO A 102 6.268 -7.839 5.198 1.00 0.00 O ATOM 1456 CB PRO A 102 2.802 -8.032 4.725 1.00 0.00 C ATOM 1457 CG PRO A 102 2.087 -7.067 3.855 1.00 0.00 C ATOM 1458 CD PRO A 102 3.139 -6.140 3.305 1.00 0.00 C ATOM 0 HA PRO A 102 3.725 -6.777 6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 102 3.172 -8.883 4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.146 -8.429 5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.563 -7.582 3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.337 -6.514 4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.489 -6.466 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.758 -5.126 3.186 1.00 0.00 H new