USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 457 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 34 LYS NZ :NH3+ -160:sc= 0.306 (180deg=-0.0799) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 27 CYS SG : rot 14:sc= 0.308 USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= -0.264 USER MOD Set 3.1: A 22 THR OG1 : rot 83:sc= 1.07 USER MOD Set 3.2: A 32 SER OG : rot -102:sc= 1.42 USER MOD Set 4.1: A 12 SER OG : rot 170:sc= 0.634 USER MOD Set 4.2: A 15 GLN : amide:sc= -0.954 K(o=-0.32,f=0.41) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0708) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0566) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 105:sc= 1.25 USER MOD Single : A 25 THR OG1 : rot -52:sc= 1.22 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.4! C(o=-1.4!,f=-1.7!) USER MOD Single : A 39 ASN : amide:sc= 0.29 K(o=0.29,f=-1.1) USER MOD Single : A 40 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-0.24) USER MOD Single : A 42 ASN : amide:sc= 0.0932 K(o=0.093,f=-0.75) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.1! K(o=-1.1!,f=0.24) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.03) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.115 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 17.844 -6.768 -2.619 1.00 0.00 N ATOM 2 CA ILE A 6 17.782 -6.148 -1.301 1.00 0.00 C ATOM 3 C ILE A 6 19.163 -6.085 -0.648 1.00 0.00 C ATOM 4 O ILE A 6 19.270 -5.715 0.522 1.00 0.00 O ATOM 5 CB ILE A 6 16.778 -6.899 -0.414 1.00 0.00 C ATOM 6 CG1 ILE A 6 17.200 -8.359 -0.216 1.00 0.00 C ATOM 7 CG2 ILE A 6 15.387 -6.819 -1.044 1.00 0.00 C ATOM 8 CD1 ILE A 6 16.242 -9.104 0.716 1.00 0.00 C ATOM 0 HA ILE A 6 17.438 -5.120 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 6 16.756 -6.429 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.233 -8.862 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 6 18.209 -8.394 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 6 14.672 -7.351 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 6 15.086 -5.775 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 6 15.409 -7.274 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 6 16.575 -10.135 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.229 -8.616 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 6 15.238 -9.092 0.291 1.00 0.00 H new ATOM 19 N LYS A 7 20.217 -6.439 -1.394 1.00 0.00 N ATOM 20 CA LYS A 7 21.584 -6.463 -0.881 1.00 0.00 C ATOM 21 C LYS A 7 22.505 -5.509 -1.643 1.00 0.00 C ATOM 22 O LYS A 7 23.717 -5.532 -1.439 1.00 0.00 O ATOM 23 CB LYS A 7 22.125 -7.894 -0.896 1.00 0.00 C ATOM 24 CG LYS A 7 21.251 -8.814 -0.038 1.00 0.00 C ATOM 25 CD LYS A 7 21.882 -10.209 0.021 1.00 0.00 C ATOM 26 CE LYS A 7 21.065 -11.150 0.908 1.00 0.00 C ATOM 27 NZ LYS A 7 19.730 -11.424 0.337 1.00 0.00 N ATOM 0 H LYS A 7 20.141 -6.717 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 7 21.560 -6.109 0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 7 22.156 -8.265 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 7 23.149 -7.905 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 7 21.152 -8.405 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 7 20.247 -8.875 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 7 21.951 -10.622 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 7 22.899 -10.135 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.605 -12.088 1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.953 -10.709 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.260 -12.167 0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.156 -10.557 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.832 -11.741 -0.648 1.00 0.00 H new ATOM 41 N ARG A 8 21.939 -4.671 -2.517 1.00 0.00 N ATOM 42 CA ARG A 8 22.702 -3.687 -3.278 1.00 0.00 C ATOM 43 C ARG A 8 22.926 -2.428 -2.443 1.00 0.00 C ATOM 44 O ARG A 8 22.274 -2.229 -1.420 1.00 0.00 O ATOM 45 CB ARG A 8 21.982 -3.358 -4.586 1.00 0.00 C ATOM 46 CG ARG A 8 21.915 -4.568 -5.501 1.00 0.00 C ATOM 47 CD ARG A 8 21.196 -4.214 -6.803 1.00 0.00 C ATOM 48 NE ARG A 8 21.122 -5.374 -7.697 1.00 0.00 N ATOM 49 CZ ARG A 8 20.395 -5.411 -8.817 1.00 0.00 C ATOM 50 NH1 ARG A 8 19.677 -4.356 -9.198 1.00 0.00 N ATOM 51 NH2 ARG A 8 20.383 -6.509 -9.563 1.00 0.00 N ATOM 0 H ARG A 8 20.938 -4.659 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 8 23.677 -4.108 -3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.973 -3.007 -4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 8 22.500 -2.544 -5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 8 22.922 -4.923 -5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 8 21.392 -5.382 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 8 20.190 -3.857 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.721 -3.399 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 8 21.659 -6.205 -7.448 1.00 0.00 H new ATOM 0 HH11 ARG A 8 19.678 -3.507 -8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 8 19.126 -4.397 -10.055 1.00 0.00 H new ATOM 0 HH21 ARG A 8 20.929 -7.323 -9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.828 -6.538 -10.418 1.00 0.00 H new ATOM 65 N LYS A 9 23.853 -1.575 -2.887 1.00 0.00 N ATOM 66 CA LYS A 9 24.195 -0.341 -2.196 1.00 0.00 C ATOM 67 C LYS A 9 23.259 0.805 -2.582 1.00 0.00 C ATOM 68 O LYS A 9 23.541 1.961 -2.279 1.00 0.00 O ATOM 69 CB LYS A 9 25.663 0.018 -2.450 1.00 0.00 C ATOM 70 CG LYS A 9 26.619 -1.104 -2.029 1.00 0.00 C ATOM 71 CD LYS A 9 26.487 -1.477 -0.549 1.00 0.00 C ATOM 72 CE LYS A 9 26.720 -0.272 0.364 1.00 0.00 C ATOM 73 NZ LYS A 9 28.095 0.246 0.239 1.00 0.00 N ATOM 0 H LYS A 9 24.388 -1.727 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 9 24.062 -0.503 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.804 0.233 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 9 25.912 0.928 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.426 -1.986 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 9 27.645 -0.795 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.494 -1.886 -0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.205 -2.261 -0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.010 0.516 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.531 -0.557 1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.249 0.996 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.773 -0.526 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.234 0.634 -0.716 1.00 0.00 H new ATOM 87 N ASP A 10 22.149 0.483 -3.249 1.00 0.00 N ATOM 88 CA ASP A 10 21.172 1.473 -3.683 1.00 0.00 C ATOM 89 C ASP A 10 19.744 0.933 -3.565 1.00 0.00 C ATOM 90 O ASP A 10 18.820 1.465 -4.174 1.00 0.00 O ATOM 91 CB ASP A 10 21.503 1.917 -5.111 1.00 0.00 C ATOM 92 CG ASP A 10 20.662 3.112 -5.553 1.00 0.00 C ATOM 93 OD1 ASP A 10 20.608 4.102 -4.785 1.00 0.00 O ATOM 94 OD2 ASP A 10 20.078 3.031 -6.657 1.00 0.00 O ATOM 0 H ASP A 10 21.905 -0.475 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 10 21.226 2.344 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 10 22.560 2.176 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.338 1.085 -5.796 1.00 0.00 H new ATOM 99 N ALA A 11 19.562 -0.135 -2.778 1.00 0.00 N ATOM 100 CA ALA A 11 18.264 -0.760 -2.585 1.00 0.00 C ATOM 101 C ALA A 11 18.135 -1.328 -1.174 1.00 0.00 C ATOM 102 O ALA A 11 19.126 -1.494 -0.463 1.00 0.00 O ATOM 103 CB ALA A 11 18.074 -1.871 -3.621 1.00 0.00 C ATOM 0 H ALA A 11 20.317 -0.585 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 11 17.489 -0.004 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.101 -2.340 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.127 -1.447 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.858 -2.618 -3.501 1.00 0.00 H new ATOM 109 N SER A 12 16.898 -1.627 -0.770 1.00 0.00 N ATOM 110 CA SER A 12 16.595 -2.206 0.530 1.00 0.00 C ATOM 111 C SER A 12 15.326 -3.047 0.409 1.00 0.00 C ATOM 112 O SER A 12 14.661 -2.996 -0.624 1.00 0.00 O ATOM 113 CB SER A 12 16.434 -1.080 1.558 1.00 0.00 C ATOM 114 OG SER A 12 15.080 -0.724 1.728 1.00 0.00 O ATOM 0 H SER A 12 16.072 -1.470 -1.348 1.00 0.00 H new ATOM 0 HA SER A 12 17.405 -2.853 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.851 -1.397 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.003 -0.208 1.236 1.00 0.00 H new ATOM 0 HG SER A 12 14.994 -0.124 2.498 1.00 0.00 H new ATOM 120 N PRO A 13 14.962 -3.825 1.437 1.00 0.00 N ATOM 121 CA PRO A 13 13.792 -4.685 1.390 1.00 0.00 C ATOM 122 C PRO A 13 12.526 -3.843 1.424 1.00 0.00 C ATOM 123 O PRO A 13 11.498 -4.221 0.864 1.00 0.00 O ATOM 124 CB PRO A 13 13.873 -5.514 2.669 1.00 0.00 C ATOM 125 CG PRO A 13 14.568 -4.549 3.633 1.00 0.00 C ATOM 126 CD PRO A 13 15.623 -3.919 2.722 1.00 0.00 C ATOM 0 HA PRO A 13 13.766 -5.295 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.886 -5.808 3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.446 -6.430 2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.880 -3.807 4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.015 -5.067 4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.931 -2.939 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.521 -4.534 2.665 1.00 0.00 H new ATOM 134 N GLU A 14 12.619 -2.696 2.091 1.00 0.00 N ATOM 135 CA GLU A 14 11.520 -1.760 2.189 1.00 0.00 C ATOM 136 C GLU A 14 11.391 -1.019 0.864 1.00 0.00 C ATOM 137 O GLU A 14 10.294 -0.650 0.463 1.00 0.00 O ATOM 138 CB GLU A 14 11.802 -0.791 3.340 1.00 0.00 C ATOM 139 CG GLU A 14 11.744 -1.483 4.702 1.00 0.00 C ATOM 140 CD GLU A 14 12.143 -0.535 5.833 1.00 0.00 C ATOM 141 OE1 GLU A 14 11.572 0.576 5.894 1.00 0.00 O ATOM 142 OE2 GLU A 14 13.021 -0.933 6.633 1.00 0.00 O ATOM 0 H GLU A 14 13.464 -2.395 2.577 1.00 0.00 H new ATOM 0 HA GLU A 14 10.582 -2.276 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.786 -0.343 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.076 0.021 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.735 -1.856 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.408 -2.347 4.700 1.00 0.00 H new ATOM 149 N GLN A 15 12.514 -0.801 0.175 1.00 0.00 N ATOM 150 CA GLN A 15 12.540 -0.039 -1.065 1.00 0.00 C ATOM 151 C GLN A 15 11.916 -0.808 -2.211 1.00 0.00 C ATOM 152 O GLN A 15 11.424 -0.216 -3.168 1.00 0.00 O ATOM 153 CB GLN A 15 13.989 0.311 -1.398 1.00 0.00 C ATOM 154 CG GLN A 15 14.126 1.822 -1.503 1.00 0.00 C ATOM 155 CD GLN A 15 13.593 2.475 -0.232 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.965 3.529 -0.273 1.00 0.00 O ATOM 157 NE2 GLN A 15 13.842 1.836 0.906 1.00 0.00 N ATOM 0 H GLN A 15 13.428 -1.150 0.465 1.00 0.00 H new ATOM 0 HA GLN A 15 11.953 0.869 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.655 -0.074 -0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.283 -0.159 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.171 2.093 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.575 2.188 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.368 0.962 0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.507 2.219 1.790 1.00 0.00 H new ATOM 166 N GLU A 16 11.937 -2.132 -2.111 1.00 0.00 N ATOM 167 CA GLU A 16 11.393 -2.965 -3.174 1.00 0.00 C ATOM 168 C GLU A 16 9.871 -2.965 -3.138 1.00 0.00 C ATOM 169 O GLU A 16 9.224 -3.169 -4.164 1.00 0.00 O ATOM 170 CB GLU A 16 11.914 -4.394 -3.028 1.00 0.00 C ATOM 171 CG GLU A 16 13.399 -4.483 -3.359 1.00 0.00 C ATOM 172 CD GLU A 16 13.648 -4.327 -4.856 1.00 0.00 C ATOM 173 OE1 GLU A 16 13.500 -5.345 -5.571 1.00 0.00 O ATOM 174 OE2 GLU A 16 13.982 -3.198 -5.280 1.00 0.00 O ATOM 0 H GLU A 16 12.319 -2.645 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 16 11.714 -2.556 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.746 -4.741 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.353 -5.056 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.941 -3.709 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.791 -5.442 -3.022 1.00 0.00 H new ATOM 181 N ALA A 17 9.297 -2.735 -1.955 1.00 0.00 N ATOM 182 CA ALA A 17 7.854 -2.656 -1.798 1.00 0.00 C ATOM 183 C ALA A 17 7.357 -1.209 -1.817 1.00 0.00 C ATOM 184 O ALA A 17 6.244 -0.955 -2.276 1.00 0.00 O ATOM 185 CB ALA A 17 7.473 -3.357 -0.496 1.00 0.00 C ATOM 0 H ALA A 17 9.819 -2.600 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 17 7.373 -3.153 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.393 -3.309 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.787 -4.400 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.967 -2.863 0.341 1.00 0.00 H new ATOM 191 N ILE A 18 8.163 -0.262 -1.327 1.00 0.00 N ATOM 192 CA ILE A 18 7.774 1.143 -1.258 1.00 0.00 C ATOM 193 C ILE A 18 7.781 1.777 -2.643 1.00 0.00 C ATOM 194 O ILE A 18 6.949 2.639 -2.919 1.00 0.00 O ATOM 195 CB ILE A 18 8.719 1.874 -0.293 1.00 0.00 C ATOM 196 CG1 ILE A 18 8.344 1.472 1.142 1.00 0.00 C ATOM 197 CG2 ILE A 18 8.631 3.396 -0.453 1.00 0.00 C ATOM 198 CD1 ILE A 18 9.399 1.922 2.156 1.00 0.00 C ATOM 0 H ILE A 18 9.099 -0.450 -0.969 1.00 0.00 H new ATOM 0 HA ILE A 18 6.755 1.224 -0.881 1.00 0.00 H new ATOM 0 HB ILE A 18 9.746 1.588 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.381 1.911 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.226 0.390 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.315 3.876 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.903 3.671 -1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.612 3.725 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.094 1.618 3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.357 1.462 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.498 3.007 2.121 1.00 0.00 H new ATOM 210 N GLU A 19 8.699 1.372 -3.525 1.00 0.00 N ATOM 211 CA GLU A 19 8.767 1.988 -4.843 1.00 0.00 C ATOM 212 C GLU A 19 7.598 1.540 -5.716 1.00 0.00 C ATOM 213 O GLU A 19 7.220 2.263 -6.633 1.00 0.00 O ATOM 214 CB GLU A 19 10.111 1.656 -5.494 1.00 0.00 C ATOM 215 CG GLU A 19 11.250 2.383 -4.778 1.00 0.00 C ATOM 216 CD GLU A 19 11.205 3.886 -5.051 1.00 0.00 C ATOM 217 OE1 GLU A 19 11.612 4.280 -6.167 1.00 0.00 O ATOM 218 OE2 GLU A 19 10.770 4.629 -4.144 1.00 0.00 O ATOM 0 H GLU A 19 9.387 0.639 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 19 8.691 3.070 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.281 0.580 -5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.093 1.943 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.182 2.204 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.207 1.979 -5.108 1.00 0.00 H new ATOM 225 N SER A 20 7.024 0.365 -5.444 1.00 0.00 N ATOM 226 CA SER A 20 5.867 -0.120 -6.175 1.00 0.00 C ATOM 227 C SER A 20 4.573 0.406 -5.557 1.00 0.00 C ATOM 228 O SER A 20 3.544 0.448 -6.224 1.00 0.00 O ATOM 229 CB SER A 20 5.888 -1.644 -6.137 1.00 0.00 C ATOM 230 OG SER A 20 6.991 -2.136 -6.868 1.00 0.00 O ATOM 0 H SER A 20 7.351 -0.268 -4.714 1.00 0.00 H new ATOM 0 HA SER A 20 5.907 0.235 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.944 -1.988 -5.104 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.961 -2.038 -6.554 1.00 0.00 H new ATOM 0 HG SER A 20 6.995 -3.115 -6.835 1.00 0.00 H new ATOM 236 N PHE A 21 4.615 0.815 -4.285 1.00 0.00 N ATOM 237 CA PHE A 21 3.463 1.388 -3.608 1.00 0.00 C ATOM 238 C PHE A 21 3.217 2.794 -4.141 1.00 0.00 C ATOM 239 O PHE A 21 2.089 3.155 -4.468 1.00 0.00 O ATOM 240 CB PHE A 21 3.767 1.429 -2.113 1.00 0.00 C ATOM 241 CG PHE A 21 2.600 1.749 -1.200 1.00 0.00 C ATOM 242 CD1 PHE A 21 2.000 3.018 -1.243 1.00 0.00 C ATOM 243 CD2 PHE A 21 2.117 0.788 -0.300 1.00 0.00 C ATOM 244 CE1 PHE A 21 0.927 3.324 -0.395 1.00 0.00 C ATOM 245 CE2 PHE A 21 1.048 1.095 0.553 1.00 0.00 C ATOM 246 CZ PHE A 21 0.451 2.361 0.503 1.00 0.00 C ATOM 0 H PHE A 21 5.450 0.755 -3.703 1.00 0.00 H new ATOM 0 HA PHE A 21 2.569 0.790 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.176 0.462 -1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.548 2.170 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.368 3.762 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.570 -0.192 -0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.468 4.301 -0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.684 0.354 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.376 2.594 1.157 1.00 0.00 H new ATOM 256 N THR A 22 4.290 3.580 -4.224 1.00 0.00 N ATOM 257 CA THR A 22 4.251 4.950 -4.726 1.00 0.00 C ATOM 258 C THR A 22 4.097 4.967 -6.247 1.00 0.00 C ATOM 259 O THR A 22 3.948 6.033 -6.841 1.00 0.00 O ATOM 260 CB THR A 22 5.549 5.673 -4.364 1.00 0.00 C ATOM 261 OG1 THR A 22 6.102 5.187 -3.162 1.00 0.00 O ATOM 262 CG2 THR A 22 5.297 7.167 -4.155 1.00 0.00 C ATOM 0 H THR A 22 5.222 3.278 -3.940 1.00 0.00 H new ATOM 0 HA THR A 22 3.397 5.451 -4.270 1.00 0.00 H new ATOM 0 HB THR A 22 6.234 5.497 -5.194 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.627 4.380 -3.346 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.234 7.662 -3.898 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.897 7.600 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.580 7.305 -3.346 1.00 0.00 H new ATOM 270 N SER A 23 4.134 3.793 -6.879 1.00 0.00 N ATOM 271 CA SER A 23 3.902 3.686 -8.310 1.00 0.00 C ATOM 272 C SER A 23 2.428 3.414 -8.598 1.00 0.00 C ATOM 273 O SER A 23 1.945 3.697 -9.696 1.00 0.00 O ATOM 274 CB SER A 23 4.727 2.549 -8.888 1.00 0.00 C ATOM 275 OG SER A 23 6.100 2.871 -8.885 1.00 0.00 O ATOM 0 H SER A 23 4.323 2.904 -6.416 1.00 0.00 H new ATOM 0 HA SER A 23 4.193 4.630 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.561 1.642 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.401 2.339 -9.907 1.00 0.00 H new ATOM 0 HG SER A 23 6.548 2.385 -8.162 1.00 0.00 H new ATOM 281 N LEU A 24 1.718 2.863 -7.612 1.00 0.00 N ATOM 282 CA LEU A 24 0.318 2.491 -7.740 1.00 0.00 C ATOM 283 C LEU A 24 -0.577 3.478 -6.996 1.00 0.00 C ATOM 284 O LEU A 24 -1.782 3.527 -7.234 1.00 0.00 O ATOM 285 CB LEU A 24 0.146 1.077 -7.192 1.00 0.00 C ATOM 286 CG LEU A 24 0.826 0.023 -8.071 1.00 0.00 C ATOM 287 CD1 LEU A 24 0.740 -1.340 -7.390 1.00 0.00 C ATOM 288 CD2 LEU A 24 0.146 -0.078 -9.438 1.00 0.00 C ATOM 0 H LEU A 24 2.109 2.662 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 24 0.022 2.518 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.560 1.028 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.917 0.848 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 24 1.865 0.321 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.224 -2.090 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.241 -1.296 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.306 -1.609 -7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.650 -0.834 -10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.899 -0.358 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.202 0.886 -9.944 1.00 0.00 H new ATOM 300 N THR A 25 0.019 4.263 -6.101 1.00 0.00 N ATOM 301 CA THR A 25 -0.647 5.363 -5.427 1.00 0.00 C ATOM 302 C THR A 25 0.227 6.601 -5.583 1.00 0.00 C ATOM 303 O THR A 25 1.407 6.485 -5.905 1.00 0.00 O ATOM 304 CB THR A 25 -0.909 5.057 -3.948 1.00 0.00 C ATOM 305 OG1 THR A 25 0.312 4.886 -3.270 1.00 0.00 O ATOM 306 CG2 THR A 25 -1.760 3.802 -3.782 1.00 0.00 C ATOM 0 H THR A 25 0.993 4.147 -5.823 1.00 0.00 H new ATOM 0 HA THR A 25 -1.625 5.527 -5.879 1.00 0.00 H new ATOM 0 HB THR A 25 -1.454 5.901 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.863 4.232 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.927 3.613 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.719 3.944 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.243 2.951 -4.225 1.00 0.00 H new ATOM 314 N LYS A 26 -0.339 7.789 -5.360 1.00 0.00 N ATOM 315 CA LYS A 26 0.376 9.043 -5.572 1.00 0.00 C ATOM 316 C LYS A 26 0.658 9.755 -4.254 1.00 0.00 C ATOM 317 O LYS A 26 0.851 10.971 -4.232 1.00 0.00 O ATOM 318 CB LYS A 26 -0.372 9.916 -6.585 1.00 0.00 C ATOM 319 CG LYS A 26 -0.545 9.202 -7.931 1.00 0.00 C ATOM 320 CD LYS A 26 0.782 8.749 -8.550 1.00 0.00 C ATOM 321 CE LYS A 26 1.726 9.931 -8.758 1.00 0.00 C ATOM 322 NZ LYS A 26 3.004 9.491 -9.352 1.00 0.00 N ATOM 0 H LYS A 26 -1.297 7.906 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 26 1.354 8.824 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.351 10.180 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.173 10.848 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.190 8.334 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.053 9.870 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.256 8.012 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.592 8.259 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.254 10.668 -9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.915 10.422 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.627 10.313 -9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.463 8.806 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.823 9.044 -10.273 1.00 0.00 H new ATOM 336 N CYS A 27 0.679 9.000 -3.153 1.00 0.00 N ATOM 337 CA CYS A 27 1.020 9.539 -1.847 1.00 0.00 C ATOM 338 C CYS A 27 2.538 9.585 -1.704 1.00 0.00 C ATOM 339 O CYS A 27 3.267 9.283 -2.647 1.00 0.00 O ATOM 340 CB CYS A 27 0.366 8.682 -0.763 1.00 0.00 C ATOM 341 SG CYS A 27 0.377 9.559 0.827 1.00 0.00 S ATOM 0 H CYS A 27 0.460 8.004 -3.148 1.00 0.00 H new ATOM 0 HA CYS A 27 0.644 10.556 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.659 8.444 -1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.898 7.736 -0.668 1.00 0.00 H new ATOM 0 HG CYS A 27 0.664 10.812 0.630 1.00 0.00 H new ATOM 347 N ASP A 28 3.019 9.962 -0.521 1.00 0.00 N ATOM 348 CA ASP A 28 4.434 10.053 -0.238 1.00 0.00 C ATOM 349 C ASP A 28 4.994 8.682 0.149 1.00 0.00 C ATOM 350 O ASP A 28 4.268 7.866 0.718 1.00 0.00 O ATOM 351 CB ASP A 28 4.632 11.055 0.893 1.00 0.00 C ATOM 352 CG ASP A 28 4.241 12.466 0.468 1.00 0.00 C ATOM 353 OD1 ASP A 28 5.013 13.070 -0.307 1.00 0.00 O ATOM 354 OD2 ASP A 28 3.171 12.930 0.922 1.00 0.00 O ATOM 0 H ASP A 28 2.425 10.213 0.269 1.00 0.00 H new ATOM 0 HA ASP A 28 4.970 10.388 -1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.035 10.755 1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.675 11.046 1.210 1.00 0.00 H new ATOM 359 N PRO A 29 6.274 8.411 -0.140 1.00 0.00 N ATOM 360 CA PRO A 29 6.929 7.166 0.229 1.00 0.00 C ATOM 361 C PRO A 29 6.918 6.966 1.734 1.00 0.00 C ATOM 362 O PRO A 29 6.975 5.841 2.232 1.00 0.00 O ATOM 363 CB PRO A 29 8.377 7.350 -0.218 1.00 0.00 C ATOM 364 CG PRO A 29 8.269 8.327 -1.386 1.00 0.00 C ATOM 365 CD PRO A 29 7.194 9.273 -0.856 1.00 0.00 C ATOM 0 HA PRO A 29 6.431 6.308 -0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.997 7.751 0.584 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.825 6.405 -0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.210 8.839 -1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.970 7.836 -2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.621 10.031 -0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.694 9.800 -1.668 1.00 0.00 H new ATOM 373 N LYS A 30 6.844 8.085 2.453 1.00 0.00 N ATOM 374 CA LYS A 30 6.884 8.108 3.896 1.00 0.00 C ATOM 375 C LYS A 30 5.601 7.537 4.494 1.00 0.00 C ATOM 376 O LYS A 30 5.569 7.216 5.681 1.00 0.00 O ATOM 377 CB LYS A 30 7.086 9.567 4.323 1.00 0.00 C ATOM 378 CG LYS A 30 8.465 10.104 3.932 1.00 0.00 C ATOM 379 CD LYS A 30 9.611 9.375 4.638 1.00 0.00 C ATOM 380 CE LYS A 30 9.494 9.505 6.157 1.00 0.00 C ATOM 381 NZ LYS A 30 10.635 8.874 6.845 1.00 0.00 N ATOM 0 H LYS A 30 6.753 9.010 2.033 1.00 0.00 H new ATOM 0 HA LYS A 30 7.701 7.485 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.315 10.187 3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.961 9.647 5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.593 10.012 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.516 11.167 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.603 8.321 4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.565 9.785 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.442 10.559 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.565 9.043 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.523 8.981 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.670 7.863 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.519 9.332 6.544 1.00 0.00 H new ATOM 395 N VAL A 31 4.551 7.404 3.679 1.00 0.00 N ATOM 396 CA VAL A 31 3.296 6.782 4.090 1.00 0.00 C ATOM 397 C VAL A 31 3.295 5.324 3.635 1.00 0.00 C ATOM 398 O VAL A 31 2.625 4.481 4.225 1.00 0.00 O ATOM 399 CB VAL A 31 2.120 7.562 3.490 1.00 0.00 C ATOM 400 CG1 VAL A 31 0.788 6.926 3.882 1.00 0.00 C ATOM 401 CG2 VAL A 31 2.143 9.002 4.002 1.00 0.00 C ATOM 0 H VAL A 31 4.551 7.727 2.712 1.00 0.00 H new ATOM 0 HA VAL A 31 3.193 6.804 5.175 1.00 0.00 H new ATOM 0 HB VAL A 31 2.220 7.543 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.031 7.497 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.752 5.901 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.691 6.926 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.306 9.554 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.060 9.003 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.079 9.477 3.709 1.00 0.00 H new ATOM 411 N SER A 32 4.055 5.011 2.582 1.00 0.00 N ATOM 412 CA SER A 32 4.177 3.644 2.101 1.00 0.00 C ATOM 413 C SER A 32 4.952 2.810 3.116 1.00 0.00 C ATOM 414 O SER A 32 4.688 1.621 3.280 1.00 0.00 O ATOM 415 CB SER A 32 4.898 3.658 0.754 1.00 0.00 C ATOM 416 OG SER A 32 4.294 4.597 -0.109 1.00 0.00 O ATOM 0 H SER A 32 4.594 5.693 2.049 1.00 0.00 H new ATOM 0 HA SER A 32 3.189 3.201 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.949 3.908 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.865 2.665 0.305 1.00 0.00 H new ATOM 0 HG SER A 32 3.728 4.128 -0.758 1.00 0.00 H new ATOM 422 N ARG A 33 5.912 3.443 3.800 1.00 0.00 N ATOM 423 CA ARG A 33 6.715 2.823 4.848 1.00 0.00 C ATOM 424 C ARG A 33 5.914 2.678 6.146 1.00 0.00 C ATOM 425 O ARG A 33 6.455 2.275 7.175 1.00 0.00 O ATOM 426 CB ARG A 33 7.969 3.683 5.050 1.00 0.00 C ATOM 427 CG ARG A 33 9.092 2.941 5.780 1.00 0.00 C ATOM 428 CD ARG A 33 10.226 3.904 6.134 1.00 0.00 C ATOM 429 NE ARG A 33 10.800 4.541 4.941 1.00 0.00 N ATOM 430 CZ ARG A 33 11.843 4.064 4.255 1.00 0.00 C ATOM 431 NH1 ARG A 33 12.416 2.911 4.588 1.00 0.00 N ATOM 432 NH2 ARG A 33 12.322 4.754 3.224 1.00 0.00 N ATOM 0 H ARG A 33 6.153 4.420 3.633 1.00 0.00 H new ATOM 0 HA ARG A 33 7.005 1.814 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.334 4.018 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.703 4.576 5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.702 2.480 6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.473 2.136 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.851 4.672 6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.008 3.363 6.668 1.00 0.00 H new ATOM 0 HE ARG A 33 10.373 5.407 4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.060 2.374 5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.211 2.563 4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.894 5.642 2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.118 4.396 2.696 1.00 0.00 H new ATOM 446 N LYS A 34 4.621 3.011 6.104 1.00 0.00 N ATOM 447 CA LYS A 34 3.737 2.944 7.261 1.00 0.00 C ATOM 448 C LYS A 34 2.572 1.986 7.002 1.00 0.00 C ATOM 449 O LYS A 34 2.008 1.454 7.950 1.00 0.00 O ATOM 450 CB LYS A 34 3.244 4.371 7.524 1.00 0.00 C ATOM 451 CG LYS A 34 2.150 4.469 8.586 1.00 0.00 C ATOM 452 CD LYS A 34 1.604 5.898 8.559 1.00 0.00 C ATOM 453 CE LYS A 34 0.460 6.092 9.553 1.00 0.00 C ATOM 454 NZ LYS A 34 -0.650 5.148 9.313 1.00 0.00 N ATOM 0 H LYS A 34 4.158 3.337 5.256 1.00 0.00 H new ATOM 0 HA LYS A 34 4.263 2.557 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.090 4.985 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.868 4.791 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.355 3.752 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.551 4.231 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.407 6.598 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.255 6.134 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.835 5.959 10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.088 7.114 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.517 5.512 9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.802 5.044 8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.414 4.222 9.724 1.00 0.00 H new ATOM 468 N TYR A 35 2.210 1.766 5.734 1.00 0.00 N ATOM 469 CA TYR A 35 1.147 0.837 5.366 1.00 0.00 C ATOM 470 C TYR A 35 1.711 -0.467 4.807 1.00 0.00 C ATOM 471 O TYR A 35 0.953 -1.380 4.498 1.00 0.00 O ATOM 472 CB TYR A 35 0.180 1.501 4.385 1.00 0.00 C ATOM 473 CG TYR A 35 -0.818 2.411 5.061 1.00 0.00 C ATOM 474 CD1 TYR A 35 -0.497 3.753 5.314 1.00 0.00 C ATOM 475 CD2 TYR A 35 -2.069 1.906 5.441 1.00 0.00 C ATOM 476 CE1 TYR A 35 -1.417 4.592 5.958 1.00 0.00 C ATOM 477 CE2 TYR A 35 -2.995 2.735 6.088 1.00 0.00 C ATOM 478 CZ TYR A 35 -2.668 4.080 6.362 1.00 0.00 C ATOM 479 OH TYR A 35 -3.550 4.885 7.013 1.00 0.00 O ATOM 0 H TYR A 35 2.648 2.229 4.937 1.00 0.00 H new ATOM 0 HA TYR A 35 0.591 0.578 6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.750 2.075 3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.357 0.729 3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.464 4.142 5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.320 0.876 5.235 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.169 5.627 6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.959 2.344 6.377 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.363 4.379 7.220 1.00 0.00 H new ATOM 489 N LEU A 36 3.031 -0.580 4.670 1.00 0.00 N ATOM 490 CA LEU A 36 3.668 -1.861 4.390 1.00 0.00 C ATOM 491 C LEU A 36 4.191 -2.436 5.702 1.00 0.00 C ATOM 492 O LEU A 36 4.591 -3.595 5.765 1.00 0.00 O ATOM 493 CB LEU A 36 4.833 -1.627 3.429 1.00 0.00 C ATOM 494 CG LEU A 36 4.366 -1.464 1.986 1.00 0.00 C ATOM 495 CD1 LEU A 36 5.489 -0.851 1.157 1.00 0.00 C ATOM 496 CD2 LEU A 36 4.024 -2.841 1.419 1.00 0.00 C ATOM 0 H LEU A 36 3.680 0.203 4.749 1.00 0.00 H new ATOM 0 HA LEU A 36 2.959 -2.556 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.380 -0.735 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.527 -2.465 3.492 1.00 0.00 H new ATOM 0 HG LEU A 36 3.490 -0.816 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.157 -0.734 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.753 0.124 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.361 -1.505 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.689 -2.737 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.908 -3.477 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.231 -3.293 2.014 1.00 0.00 H new ATOM 508 N GLN A 37 4.177 -1.609 6.746 1.00 0.00 N ATOM 509 CA GLN A 37 4.834 -1.862 8.017 1.00 0.00 C ATOM 510 C GLN A 37 3.832 -2.466 9.003 1.00 0.00 C ATOM 511 O GLN A 37 4.137 -2.672 10.175 1.00 0.00 O ATOM 512 CB GLN A 37 5.400 -0.512 8.464 1.00 0.00 C ATOM 513 CG GLN A 37 6.337 -0.550 9.671 1.00 0.00 C ATOM 514 CD GLN A 37 7.815 -0.514 9.334 1.00 0.00 C ATOM 515 OE1 GLN A 37 8.534 -1.494 9.520 1.00 0.00 O ATOM 516 NE2 GLN A 37 8.279 0.629 8.829 1.00 0.00 N ATOM 0 H GLN A 37 3.689 -0.714 6.724 1.00 0.00 H new ATOM 0 HA GLN A 37 5.644 -2.588 7.949 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.937 -0.069 7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.567 0.151 8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.106 0.296 10.318 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.132 -1.455 10.243 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.648 1.419 8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.265 0.714 8.581 1.00 0.00 H new ATOM 525 N ARG A 38 2.626 -2.744 8.502 1.00 0.00 N ATOM 526 CA ARG A 38 1.510 -3.274 9.268 1.00 0.00 C ATOM 527 C ARG A 38 0.737 -4.307 8.447 1.00 0.00 C ATOM 528 O ARG A 38 -0.359 -4.712 8.839 1.00 0.00 O ATOM 529 CB ARG A 38 0.629 -2.105 9.729 1.00 0.00 C ATOM 530 CG ARG A 38 0.279 -1.155 8.586 1.00 0.00 C ATOM 531 CD ARG A 38 -0.552 0.024 9.087 1.00 0.00 C ATOM 532 NE ARG A 38 -1.912 -0.400 9.430 1.00 0.00 N ATOM 533 CZ ARG A 38 -2.412 -0.490 10.664 1.00 0.00 C ATOM 534 NH1 ARG A 38 -1.677 -0.184 11.730 1.00 0.00 N ATOM 535 NH2 ARG A 38 -3.668 -0.893 10.834 1.00 0.00 N ATOM 0 H ARG A 38 2.398 -2.599 7.518 1.00 0.00 H new ATOM 0 HA ARG A 38 1.872 -3.797 10.153 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.289 -2.496 10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.145 -1.551 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.194 -0.788 8.121 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.275 -1.694 7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.073 0.465 9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.591 0.798 8.320 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.531 -0.648 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.712 0.126 11.612 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.078 -0.260 12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.241 -1.131 10.025 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.058 -0.965 11.774 1.00 0.00 H new ATOM 549 N ASN A 39 1.304 -4.730 7.308 1.00 0.00 N ATOM 550 CA ASN A 39 0.670 -5.648 6.376 1.00 0.00 C ATOM 551 C ASN A 39 1.674 -6.648 5.797 1.00 0.00 C ATOM 552 O ASN A 39 1.585 -7.022 4.630 1.00 0.00 O ATOM 553 CB ASN A 39 -0.014 -4.845 5.271 1.00 0.00 C ATOM 554 CG ASN A 39 -1.124 -3.979 5.848 1.00 0.00 C ATOM 555 OD1 ASN A 39 -2.140 -4.476 6.322 1.00 0.00 O ATOM 556 ND2 ASN A 39 -0.918 -2.670 5.804 1.00 0.00 N ATOM 0 H ASN A 39 2.234 -4.433 7.011 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.078 -6.233 6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.718 -4.217 4.764 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.425 -5.523 4.523 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.621 -2.030 6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.057 -2.303 5.400 1.00 0.00 H new ATOM 563 N HIS A 40 2.633 -7.077 6.623 1.00 0.00 N ATOM 564 CA HIS A 40 3.619 -8.091 6.266 1.00 0.00 C ATOM 565 C HIS A 40 4.443 -7.704 5.038 1.00 0.00 C ATOM 566 O HIS A 40 4.987 -8.570 4.354 1.00 0.00 O ATOM 567 CB HIS A 40 2.935 -9.456 6.108 1.00 0.00 C ATOM 568 CG HIS A 40 1.864 -9.733 7.137 1.00 0.00 C ATOM 569 ND1 HIS A 40 0.765 -10.573 6.937 1.00 0.00 N ATOM 570 CD2 HIS A 40 1.802 -9.211 8.399 1.00 0.00 C ATOM 571 CE1 HIS A 40 0.064 -10.526 8.082 1.00 0.00 C ATOM 572 NE2 HIS A 40 0.664 -9.722 8.979 1.00 0.00 N ATOM 0 H HIS A 40 2.744 -6.721 7.572 1.00 0.00 H new ATOM 0 HA HIS A 40 4.338 -8.164 7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.492 -9.515 5.114 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.692 -10.238 6.167 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.508 -8.531 8.852 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.857 -11.061 8.259 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.333 -9.526 9.924 1.00 0.00 H new ATOM 580 N TRP A 41 4.532 -6.400 4.760 1.00 0.00 N ATOM 581 CA TRP A 41 5.281 -5.854 3.641 1.00 0.00 C ATOM 582 C TRP A 41 4.880 -6.439 2.284 1.00 0.00 C ATOM 583 O TRP A 41 5.696 -6.501 1.366 1.00 0.00 O ATOM 584 CB TRP A 41 6.777 -5.875 3.950 1.00 0.00 C ATOM 585 CG TRP A 41 7.145 -4.897 5.011 1.00 0.00 C ATOM 586 CD1 TRP A 41 7.048 -5.071 6.344 1.00 0.00 C ATOM 587 CD2 TRP A 41 7.644 -3.550 4.822 1.00 0.00 C ATOM 588 NE1 TRP A 41 7.397 -3.900 6.987 1.00 0.00 N ATOM 589 CE2 TRP A 41 7.700 -2.901 6.083 1.00 0.00 C ATOM 590 CE3 TRP A 41 7.987 -2.805 3.685 1.00 0.00 C ATOM 591 CZ2 TRP A 41 7.993 -1.540 6.200 1.00 0.00 C ATOM 592 CZ3 TRP A 41 8.343 -1.454 3.798 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.340 -0.821 5.049 1.00 0.00 C ATOM 0 H TRP A 41 4.073 -5.685 5.323 1.00 0.00 H new ATOM 0 HA TRP A 41 5.007 -4.806 3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.067 -6.877 4.265 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.337 -5.652 3.042 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.744 -5.985 6.833 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.427 -3.787 8.000 1.00 0.00 H new ATOM 0 HE3 TRP A 41 7.977 -3.276 2.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.953 -1.050 7.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.621 -0.897 2.916 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.606 0.223 5.125 1.00 0.00 H new ATOM 604 N ASN A 42 3.620 -6.868 2.158 1.00 0.00 N ATOM 605 CA ASN A 42 3.046 -7.258 0.882 1.00 0.00 C ATOM 606 C ASN A 42 2.298 -6.074 0.284 1.00 0.00 C ATOM 607 O ASN A 42 1.497 -5.446 0.975 1.00 0.00 O ATOM 608 CB ASN A 42 2.076 -8.422 1.082 1.00 0.00 C ATOM 609 CG ASN A 42 2.773 -9.773 1.106 1.00 0.00 C ATOM 610 OD1 ASN A 42 3.992 -9.866 1.214 1.00 0.00 O ATOM 611 ND2 ASN A 42 1.990 -10.841 0.997 1.00 0.00 N ATOM 0 H ASN A 42 2.975 -6.952 2.944 1.00 0.00 H new ATOM 0 HA ASN A 42 3.844 -7.569 0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.535 -8.281 2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.336 -8.414 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.399 -11.776 1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.980 -10.726 0.909 1.00 0.00 H new ATOM 618 N ILE A 43 2.540 -5.763 -0.990 1.00 0.00 N ATOM 619 CA ILE A 43 1.815 -4.679 -1.643 1.00 0.00 C ATOM 620 C ILE A 43 0.384 -5.108 -1.954 1.00 0.00 C ATOM 621 O ILE A 43 -0.466 -4.265 -2.230 1.00 0.00 O ATOM 622 CB ILE A 43 2.603 -4.199 -2.874 1.00 0.00 C ATOM 623 CG1 ILE A 43 3.656 -3.186 -2.410 1.00 0.00 C ATOM 624 CG2 ILE A 43 1.713 -3.544 -3.939 1.00 0.00 C ATOM 625 CD1 ILE A 43 3.029 -1.865 -1.996 1.00 0.00 C ATOM 0 H ILE A 43 3.222 -6.239 -1.580 1.00 0.00 H new ATOM 0 HA ILE A 43 1.729 -3.823 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 43 3.060 -5.074 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.214 -3.601 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.371 -3.012 -3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.327 -3.227 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.968 -4.262 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.210 -2.677 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.810 -1.176 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.493 -1.436 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.333 -2.034 -1.174 1.00 0.00 H new ATOM 637 N ASN A 44 0.101 -6.416 -1.906 1.00 0.00 N ATOM 638 CA ASN A 44 -1.237 -6.902 -2.186 1.00 0.00 C ATOM 639 C ASN A 44 -2.086 -6.934 -0.916 1.00 0.00 C ATOM 640 O ASN A 44 -3.247 -7.335 -0.956 1.00 0.00 O ATOM 641 CB ASN A 44 -1.141 -8.283 -2.837 1.00 0.00 C ATOM 642 CG ASN A 44 -0.366 -8.242 -4.144 1.00 0.00 C ATOM 643 OD1 ASN A 44 -0.359 -7.235 -4.848 1.00 0.00 O ATOM 644 ND2 ASN A 44 0.299 -9.341 -4.481 1.00 0.00 N ATOM 0 H ASN A 44 0.779 -7.143 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.733 -6.222 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.656 -8.975 -2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.144 -8.668 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.837 -9.366 -5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.272 -10.160 -3.873 1.00 0.00 H new ATOM 651 N TYR A 45 -1.501 -6.507 0.205 1.00 0.00 N ATOM 652 CA TYR A 45 -2.149 -6.464 1.503 1.00 0.00 C ATOM 653 C TYR A 45 -1.975 -5.091 2.146 1.00 0.00 C ATOM 654 O TYR A 45 -2.573 -4.812 3.182 1.00 0.00 O ATOM 655 CB TYR A 45 -1.520 -7.564 2.353 1.00 0.00 C ATOM 656 CG TYR A 45 -2.047 -8.940 2.016 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.189 -9.420 2.675 1.00 0.00 C ATOM 658 CD2 TYR A 45 -1.408 -9.733 1.051 1.00 0.00 C ATOM 659 CE1 TYR A 45 -3.684 -10.698 2.378 1.00 0.00 C ATOM 660 CE2 TYR A 45 -1.897 -11.011 0.748 1.00 0.00 C ATOM 661 CZ TYR A 45 -3.037 -11.501 1.415 1.00 0.00 C ATOM 662 OH TYR A 45 -3.516 -12.743 1.124 1.00 0.00 O ATOM 0 H TYR A 45 -0.537 -6.174 0.228 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.222 -6.629 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.439 -7.550 2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.709 -7.356 3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.687 -8.805 3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.535 -9.357 0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.562 -11.068 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.401 -11.618 0.005 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.952 -13.159 0.439 1.00 0.00 H new ATOM 672 N ALA A 46 -1.155 -4.231 1.535 1.00 0.00 N ATOM 673 CA ALA A 46 -0.829 -2.917 2.052 1.00 0.00 C ATOM 674 C ALA A 46 -1.619 -1.818 1.350 1.00 0.00 C ATOM 675 O ALA A 46 -1.926 -0.793 1.955 1.00 0.00 O ATOM 676 CB ALA A 46 0.659 -2.707 1.824 1.00 0.00 C ATOM 0 H ALA A 46 -0.695 -4.442 0.650 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.087 -2.865 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.950 -1.726 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.220 -3.478 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.876 -2.766 0.757 1.00 0.00 H new ATOM 682 N LEU A 47 -1.953 -2.024 0.075 1.00 0.00 N ATOM 683 CA LEU A 47 -2.690 -1.030 -0.684 1.00 0.00 C ATOM 684 C LEU A 47 -4.146 -1.001 -0.233 1.00 0.00 C ATOM 685 O LEU A 47 -4.764 0.059 -0.224 1.00 0.00 O ATOM 686 CB LEU A 47 -2.579 -1.353 -2.175 1.00 0.00 C ATOM 687 CG LEU A 47 -1.187 -1.063 -2.736 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.159 -1.460 -4.210 1.00 0.00 C ATOM 689 CD2 LEU A 47 -0.842 0.420 -2.636 1.00 0.00 C ATOM 0 H LEU A 47 -1.723 -2.870 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.267 -0.041 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.819 -2.404 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.317 -0.770 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.461 -1.632 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.171 -1.258 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.381 -2.523 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.905 -0.883 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.154 0.590 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.570 1.002 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.864 0.729 -1.591 1.00 0.00 H new ATOM 701 N ASN A 48 -4.705 -2.153 0.150 1.00 0.00 N ATOM 702 CA ASN A 48 -6.092 -2.231 0.598 1.00 0.00 C ATOM 703 C ASN A 48 -6.250 -1.490 1.915 1.00 0.00 C ATOM 704 O ASN A 48 -7.266 -0.848 2.153 1.00 0.00 O ATOM 705 CB ASN A 48 -6.501 -3.694 0.772 1.00 0.00 C ATOM 706 CG ASN A 48 -5.990 -4.534 -0.380 1.00 0.00 C ATOM 707 OD1 ASN A 48 -6.673 -4.745 -1.376 1.00 0.00 O ATOM 708 ND2 ASN A 48 -4.762 -5.007 -0.223 1.00 0.00 N ATOM 0 H ASN A 48 -4.213 -3.046 0.157 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.735 -1.769 -0.151 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.105 -4.078 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.587 -3.769 0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.339 -5.579 -0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.240 -4.799 0.628 1.00 0.00 H new ATOM 715 N ASP A 49 -5.230 -1.587 2.768 1.00 0.00 N ATOM 716 CA ASP A 49 -5.232 -0.913 4.058 1.00 0.00 C ATOM 717 C ASP A 49 -5.205 0.602 3.866 1.00 0.00 C ATOM 718 O ASP A 49 -5.743 1.352 4.680 1.00 0.00 O ATOM 719 CB ASP A 49 -4.001 -1.385 4.833 1.00 0.00 C ATOM 720 CG ASP A 49 -4.067 -1.039 6.319 1.00 0.00 C ATOM 721 OD1 ASP A 49 -5.192 -0.894 6.845 1.00 0.00 O ATOM 722 OD2 ASP A 49 -2.977 -0.924 6.921 1.00 0.00 O ATOM 0 H ASP A 49 -4.388 -2.131 2.583 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.138 -1.155 4.614 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.899 -2.464 4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.109 -0.933 4.399 1.00 0.00 H new ATOM 727 N TYR A 50 -4.576 1.050 2.777 1.00 0.00 N ATOM 728 CA TYR A 50 -4.552 2.457 2.412 1.00 0.00 C ATOM 729 C TYR A 50 -5.866 2.855 1.742 1.00 0.00 C ATOM 730 O TYR A 50 -6.339 3.976 1.912 1.00 0.00 O ATOM 731 CB TYR A 50 -3.370 2.684 1.470 1.00 0.00 C ATOM 732 CG TYR A 50 -3.208 4.119 1.023 1.00 0.00 C ATOM 733 CD1 TYR A 50 -2.469 5.026 1.797 1.00 0.00 C ATOM 734 CD2 TYR A 50 -3.812 4.538 -0.170 1.00 0.00 C ATOM 735 CE1 TYR A 50 -2.345 6.359 1.378 1.00 0.00 C ATOM 736 CE2 TYR A 50 -3.700 5.869 -0.590 1.00 0.00 C ATOM 737 CZ TYR A 50 -2.973 6.791 0.190 1.00 0.00 C ATOM 738 OH TYR A 50 -2.878 8.089 -0.206 1.00 0.00 O ATOM 0 H TYR A 50 -4.072 0.445 2.129 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.438 3.076 3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.455 2.364 1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.493 2.052 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.997 4.699 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.367 3.831 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.767 7.057 1.966 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.169 6.188 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.369 8.212 -1.046 1.00 0.00 H new ATOM 748 N TYR A 51 -6.459 1.933 0.980 1.00 0.00 N ATOM 749 CA TYR A 51 -7.741 2.159 0.320 1.00 0.00 C ATOM 750 C TYR A 51 -8.896 2.082 1.319 1.00 0.00 C ATOM 751 O TYR A 51 -10.042 2.350 0.967 1.00 0.00 O ATOM 752 CB TYR A 51 -7.934 1.144 -0.808 1.00 0.00 C ATOM 753 CG TYR A 51 -6.884 1.215 -1.897 1.00 0.00 C ATOM 754 CD1 TYR A 51 -6.362 2.459 -2.281 1.00 0.00 C ATOM 755 CD2 TYR A 51 -6.433 0.040 -2.516 1.00 0.00 C ATOM 756 CE1 TYR A 51 -5.392 2.533 -3.285 1.00 0.00 C ATOM 757 CE2 TYR A 51 -5.462 0.108 -3.527 1.00 0.00 C ATOM 758 CZ TYR A 51 -4.941 1.357 -3.919 1.00 0.00 C ATOM 759 OH TYR A 51 -4.004 1.427 -4.905 1.00 0.00 O ATOM 0 H TYR A 51 -6.062 1.010 0.805 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.737 3.163 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.932 0.141 -0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.916 1.298 -1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.710 3.361 -1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.833 -0.917 -2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.988 3.492 -3.575 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.114 -0.796 -4.004 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.806 0.525 -5.233 1.00 0.00 H new ATOM 769 N ASP A 52 -8.602 1.718 2.571 1.00 0.00 N ATOM 770 CA ASP A 52 -9.587 1.660 3.629 1.00 0.00 C ATOM 771 C ASP A 52 -9.508 2.888 4.531 1.00 0.00 C ATOM 772 O ASP A 52 -10.521 3.306 5.091 1.00 0.00 O ATOM 773 CB ASP A 52 -9.302 0.426 4.483 1.00 0.00 C ATOM 774 CG ASP A 52 -9.682 -0.889 3.803 1.00 0.00 C ATOM 775 OD1 ASP A 52 -10.505 -0.847 2.858 1.00 0.00 O ATOM 776 OD2 ASP A 52 -9.144 -1.933 4.240 1.00 0.00 O ATOM 0 H ASP A 52 -7.663 1.455 2.870 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.578 1.620 3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.241 0.404 4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.848 0.511 5.423 1.00 0.00 H new ATOM 781 N LYS A 53 -8.309 3.462 4.678 1.00 0.00 N ATOM 782 CA LYS A 53 -8.062 4.495 5.672 1.00 0.00 C ATOM 783 C LYS A 53 -7.544 5.816 5.098 1.00 0.00 C ATOM 784 O LYS A 53 -7.479 6.801 5.832 1.00 0.00 O ATOM 785 CB LYS A 53 -7.081 3.921 6.687 1.00 0.00 C ATOM 786 CG LYS A 53 -7.684 2.692 7.364 1.00 0.00 C ATOM 787 CD LYS A 53 -6.664 2.132 8.346 1.00 0.00 C ATOM 788 CE LYS A 53 -7.218 0.914 9.085 1.00 0.00 C ATOM 789 NZ LYS A 53 -7.499 -0.202 8.160 1.00 0.00 N ATOM 0 H LYS A 53 -7.494 3.222 4.114 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.015 4.757 6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.149 3.652 6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.837 4.675 7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.604 2.959 7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.946 1.940 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.756 1.854 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.387 2.902 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.502 0.590 9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.132 1.191 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.543 -1.093 8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.409 -0.038 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.743 -0.262 7.448 1.00 0.00 H new ATOM 803 N GLU A 54 -7.184 5.857 3.815 1.00 0.00 N ATOM 804 CA GLU A 54 -6.645 7.061 3.183 1.00 0.00 C ATOM 805 C GLU A 54 -7.218 7.282 1.785 1.00 0.00 C ATOM 806 O GLU A 54 -6.727 8.133 1.047 1.00 0.00 O ATOM 807 CB GLU A 54 -5.119 6.967 3.090 1.00 0.00 C ATOM 808 CG GLU A 54 -4.437 6.909 4.459 1.00 0.00 C ATOM 809 CD GLU A 54 -4.652 8.184 5.280 1.00 0.00 C ATOM 810 OE1 GLU A 54 -4.820 9.262 4.662 1.00 0.00 O ATOM 811 OE2 GLU A 54 -4.646 8.077 6.527 1.00 0.00 O ATOM 0 H GLU A 54 -7.258 5.058 3.186 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.934 7.908 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.850 6.079 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.741 7.828 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.821 6.054 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.368 6.746 4.321 1.00 0.00 H new ATOM 818 N ILE A 55 -8.252 6.526 1.403 1.00 0.00 N ATOM 819 CA ILE A 55 -8.807 6.622 0.065 1.00 0.00 C ATOM 820 C ILE A 55 -9.402 8.014 -0.173 1.00 0.00 C ATOM 821 O ILE A 55 -9.968 8.619 0.739 1.00 0.00 O ATOM 822 CB ILE A 55 -9.817 5.489 -0.152 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.214 5.435 -1.630 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.035 5.659 0.760 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.078 4.211 -1.938 1.00 0.00 C ATOM 0 H ILE A 55 -8.715 5.845 2.005 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.018 6.499 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.355 4.538 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.759 6.341 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.316 5.412 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.736 4.843 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.714 5.647 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.523 6.609 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.340 4.207 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.523 3.304 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.988 4.248 -1.339 1.00 0.00 H new ATOM 837 N GLY A 56 -9.271 8.527 -1.402 1.00 0.00 N ATOM 838 CA GLY A 56 -9.696 9.880 -1.740 1.00 0.00 C ATOM 839 C GLY A 56 -11.199 9.998 -1.991 1.00 0.00 C ATOM 840 O GLY A 56 -11.711 11.110 -2.109 1.00 0.00 O ATOM 0 H GLY A 56 -8.868 8.013 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.416 10.554 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.159 10.210 -2.629 1.00 0.00 H new ATOM 844 N THR A 57 -11.910 8.870 -2.075 1.00 0.00 N ATOM 845 CA THR A 57 -13.344 8.866 -2.334 1.00 0.00 C ATOM 846 C THR A 57 -13.990 7.590 -1.796 1.00 0.00 C ATOM 847 O THR A 57 -13.299 6.625 -1.474 1.00 0.00 O ATOM 848 CB THR A 57 -13.597 9.006 -3.837 1.00 0.00 C ATOM 849 OG1 THR A 57 -14.985 9.108 -4.071 1.00 0.00 O ATOM 850 CG2 THR A 57 -13.052 7.809 -4.616 1.00 0.00 C ATOM 0 H THR A 57 -11.506 7.940 -1.965 1.00 0.00 H new ATOM 0 HA THR A 57 -13.796 9.712 -1.817 1.00 0.00 H new ATOM 0 HB THR A 57 -13.081 9.903 -4.180 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.149 9.199 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.251 7.946 -5.679 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.977 7.729 -4.455 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.539 6.897 -4.270 1.00 0.00 H new ATOM 858 N PHE A 58 -15.322 7.590 -1.702 1.00 0.00 N ATOM 859 CA PHE A 58 -16.095 6.456 -1.223 1.00 0.00 C ATOM 860 C PHE A 58 -17.080 5.976 -2.287 1.00 0.00 C ATOM 861 O PHE A 58 -17.901 5.092 -2.035 1.00 0.00 O ATOM 862 CB PHE A 58 -16.798 6.860 0.066 1.00 0.00 C ATOM 863 CG PHE A 58 -15.797 7.228 1.131 1.00 0.00 C ATOM 864 CD1 PHE A 58 -15.226 6.227 1.925 1.00 0.00 C ATOM 865 CD2 PHE A 58 -15.428 8.566 1.310 1.00 0.00 C ATOM 866 CE1 PHE A 58 -14.273 6.565 2.893 1.00 0.00 C ATOM 867 CE2 PHE A 58 -14.479 8.904 2.287 1.00 0.00 C ATOM 868 CZ PHE A 58 -13.901 7.902 3.081 1.00 0.00 C ATOM 0 H PHE A 58 -15.896 8.392 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 58 -15.434 5.615 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.459 7.705 -0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.423 6.039 0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.520 5.196 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -15.873 9.337 0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -13.823 5.791 3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -14.193 9.936 2.428 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.172 8.161 3.834 1.00 0.00 H new ATOM 878 N THR A 59 -16.995 6.569 -3.482 1.00 0.00 N ATOM 879 CA THR A 59 -17.845 6.230 -4.615 1.00 0.00 C ATOM 880 C THR A 59 -17.050 6.285 -5.921 1.00 0.00 C ATOM 881 O THR A 59 -15.946 6.824 -5.964 1.00 0.00 O ATOM 882 CB THR A 59 -19.059 7.162 -4.657 1.00 0.00 C ATOM 883 OG1 THR A 59 -19.925 6.772 -5.700 1.00 0.00 O ATOM 884 CG2 THR A 59 -18.645 8.617 -4.875 1.00 0.00 C ATOM 0 H THR A 59 -16.322 7.308 -3.687 1.00 0.00 H new ATOM 0 HA THR A 59 -18.206 5.209 -4.495 1.00 0.00 H new ATOM 0 HB THR A 59 -19.566 7.087 -3.695 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.701 7.370 -5.722 1.00 0.00 H new ATOM 0 HG21 THR A 59 -19.533 9.248 -4.899 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.995 8.936 -4.060 1.00 0.00 H new ATOM 0 HG23 THR A 59 -18.111 8.706 -5.821 1.00 0.00 H new ATOM 892 N ASP A 60 -17.622 5.723 -6.986 1.00 0.00 N ATOM 893 CA ASP A 60 -16.991 5.676 -8.298 1.00 0.00 C ATOM 894 C ASP A 60 -17.952 6.137 -9.391 1.00 0.00 C ATOM 895 O ASP A 60 -17.664 5.974 -10.577 1.00 0.00 O ATOM 896 CB ASP A 60 -16.442 4.272 -8.568 1.00 0.00 C ATOM 897 CG ASP A 60 -17.555 3.229 -8.650 1.00 0.00 C ATOM 898 OD1 ASP A 60 -18.050 2.823 -7.574 1.00 0.00 O ATOM 899 OD2 ASP A 60 -17.902 2.840 -9.787 1.00 0.00 O ATOM 0 H ASP A 60 -18.543 5.285 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 60 -16.151 6.371 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.879 4.276 -9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.745 3.997 -7.777 1.00 0.00 H new ATOM 904 N GLU A 61 -19.094 6.713 -9.003 1.00 0.00 N ATOM 905 CA GLU A 61 -20.083 7.205 -9.950 1.00 0.00 C ATOM 906 C GLU A 61 -20.751 8.479 -9.434 1.00 0.00 C ATOM 907 O GLU A 61 -20.645 8.810 -8.252 1.00 0.00 O ATOM 908 CB GLU A 61 -21.120 6.116 -10.232 1.00 0.00 C ATOM 909 CG GLU A 61 -21.896 5.729 -8.973 1.00 0.00 C ATOM 910 CD GLU A 61 -22.925 4.645 -9.281 1.00 0.00 C ATOM 911 OE1 GLU A 61 -24.027 5.010 -9.750 1.00 0.00 O ATOM 912 OE2 GLU A 61 -22.611 3.456 -9.043 1.00 0.00 O ATOM 0 H GLU A 61 -19.353 6.848 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.578 7.456 -10.883 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.816 6.466 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -20.621 5.235 -10.636 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -21.204 5.373 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -22.397 6.607 -8.565 1.00 0.00 H new ATOM 919 N VAL A 62 -21.443 9.191 -10.331 1.00 0.00 N ATOM 920 CA VAL A 62 -22.132 10.438 -10.019 1.00 0.00 C ATOM 921 C VAL A 62 -23.507 10.448 -10.680 1.00 0.00 C ATOM 922 O VAL A 62 -23.552 10.299 -11.922 1.00 0.00 O ATOM 923 CB VAL A 62 -21.295 11.635 -10.481 1.00 0.00 C ATOM 924 CG1 VAL A 62 -22.011 12.944 -10.143 1.00 0.00 C ATOM 925 CG2 VAL A 62 -19.936 11.648 -9.782 1.00 0.00 C ATOM 0 H VAL A 62 -21.538 8.909 -11.307 1.00 0.00 H new ATOM 0 HA VAL A 62 -22.266 10.514 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 62 -21.157 11.544 -11.558 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -21.405 13.787 -10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -22.978 12.970 -10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -22.161 13.009 -9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -19.359 12.506 -10.125 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -20.082 11.716 -8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.397 10.730 -10.018 1.00 0.00 H new TER 935 VAL A 62