USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 771 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 30 CYS SG : rot 12:sc= -0.902 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.363 K(o=-1.6,f=-4.2!) USER MOD Set 1.3: A 62 CYS SG : rot 124:sc= -0.298 USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 HIS : no HE2:sc= -0.48 X(o=-0.48,f=-0.83) USER MOD Set 3.1: A 42 LYS NZ :NH3+ 156:sc= 0.647 (180deg=0.326) USER MOD Set 3.2: A 53 TYR OH : rot 25:sc= 0.668 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0803 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 141:sc= 0.0081 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.479 K(o=-0.48,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 150:sc= -0.455 USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= -0.552 (180deg=-1.29) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -26:sc= 0.518 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 33 SER OG : rot -150:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -124:sc= 0.789 (180deg=-1.8!) USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= 0.651 (180deg=0.11) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 19:sc= 0.594 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.219 USER MOD Single : A 77 TYR OH : rot -20:sc= 0.188 USER MOD Single : A 78 SER OG : rot 180:sc= -0.962 USER MOD Single : A 79 CYS SG : rot 20:sc= -0.273 USER MOD Single : A 80 MET CE :methyl 143:sc= -4.39! (180deg=-6.07!) USER MOD Single : A 81 CYS SG : rot 60:sc= -6.69! USER MOD Single : A 83 GLN : amide:sc= -2.42 K(o=-2.4,f=-12!) USER MOD Single : A 86 THR OG1 : rot 120:sc= 0.0802 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.430 31.829 4.275 1.00 0.00 N ATOM 2 CA GLY A 1 25.321 31.842 3.339 1.00 0.00 C ATOM 3 C GLY A 1 23.975 31.835 4.036 1.00 0.00 C ATOM 4 O GLY A 1 23.901 31.699 5.257 1.00 0.00 O ATOM 0 H1 GLY A 1 26.983 32.703 4.170 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.064 31.766 5.246 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.039 31.008 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.394 32.726 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.392 30.974 2.684 1.00 0.00 H new ATOM 8 N SER A 2 22.907 31.983 3.258 1.00 0.00 N ATOM 9 CA SER A 2 21.557 31.999 3.809 1.00 0.00 C ATOM 10 C SER A 2 20.959 30.595 3.821 1.00 0.00 C ATOM 11 O SER A 2 21.497 29.674 3.207 1.00 0.00 O ATOM 12 CB SER A 2 20.663 32.939 2.998 1.00 0.00 C ATOM 13 OG SER A 2 20.261 32.336 1.780 1.00 0.00 O ATOM 0 H SER A 2 22.951 32.093 2.245 1.00 0.00 H new ATOM 0 HA SER A 2 21.615 32.360 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.783 33.204 3.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.198 33.865 2.790 1.00 0.00 H new ATOM 0 HG SER A 2 19.689 32.956 1.281 1.00 0.00 H new ATOM 19 N SER A 3 19.842 30.440 4.525 1.00 0.00 N ATOM 20 CA SER A 3 19.172 29.149 4.621 1.00 0.00 C ATOM 21 C SER A 3 17.724 29.252 4.150 1.00 0.00 C ATOM 22 O SER A 3 16.809 28.757 4.807 1.00 0.00 O ATOM 23 CB SER A 3 19.217 28.633 6.060 1.00 0.00 C ATOM 24 OG SER A 3 19.101 27.221 6.100 1.00 0.00 O ATOM 0 H SER A 3 19.382 31.193 5.037 1.00 0.00 H new ATOM 0 HA SER A 3 19.697 28.446 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.152 28.938 6.530 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.409 29.084 6.637 1.00 0.00 H new ATOM 0 HG SER A 3 19.134 26.916 7.031 1.00 0.00 H new ATOM 30 N GLY A 4 17.525 29.900 3.006 1.00 0.00 N ATOM 31 CA GLY A 4 16.187 30.057 2.466 1.00 0.00 C ATOM 32 C GLY A 4 16.157 29.960 0.954 1.00 0.00 C ATOM 33 O GLY A 4 17.132 30.299 0.284 1.00 0.00 O ATOM 0 H GLY A 4 18.266 30.319 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.536 29.292 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.786 31.023 2.773 1.00 0.00 H new ATOM 37 N SER A 5 15.035 29.493 0.415 1.00 0.00 N ATOM 38 CA SER A 5 14.884 29.346 -1.028 1.00 0.00 C ATOM 39 C SER A 5 13.806 30.286 -1.560 1.00 0.00 C ATOM 40 O SER A 5 12.961 30.768 -0.806 1.00 0.00 O ATOM 41 CB SER A 5 14.535 27.899 -1.381 1.00 0.00 C ATOM 42 OG SER A 5 13.333 27.496 -0.750 1.00 0.00 O ATOM 0 H SER A 5 14.218 29.210 0.956 1.00 0.00 H new ATOM 0 HA SER A 5 15.833 29.608 -1.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.433 27.799 -2.462 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.348 27.241 -1.076 1.00 0.00 H new ATOM 0 HG SER A 5 12.808 26.946 -1.368 1.00 0.00 H new ATOM 48 N SER A 6 13.842 30.540 -2.864 1.00 0.00 N ATOM 49 CA SER A 6 12.871 31.425 -3.497 1.00 0.00 C ATOM 50 C SER A 6 12.254 30.763 -4.726 1.00 0.00 C ATOM 51 O SER A 6 12.134 31.381 -5.783 1.00 0.00 O ATOM 52 CB SER A 6 13.534 32.745 -3.893 1.00 0.00 C ATOM 53 OG SER A 6 13.916 33.488 -2.748 1.00 0.00 O ATOM 0 H SER A 6 14.533 30.146 -3.503 1.00 0.00 H new ATOM 0 HA SER A 6 12.078 31.628 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.410 32.545 -4.509 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.846 33.334 -4.499 1.00 0.00 H new ATOM 0 HG SER A 6 14.339 34.326 -3.028 1.00 0.00 H new ATOM 59 N GLY A 7 11.864 29.501 -4.578 1.00 0.00 N ATOM 60 CA GLY A 7 11.265 28.775 -5.683 1.00 0.00 C ATOM 61 C GLY A 7 10.748 27.412 -5.269 1.00 0.00 C ATOM 62 O GLY A 7 9.648 27.277 -4.734 1.00 0.00 O ATOM 0 H GLY A 7 11.952 28.968 -3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.444 29.361 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.002 28.655 -6.477 1.00 0.00 H new ATOM 66 N PRO A 8 11.554 26.368 -5.518 1.00 0.00 N ATOM 67 CA PRO A 8 11.192 24.989 -5.177 1.00 0.00 C ATOM 68 C PRO A 8 11.184 24.748 -3.671 1.00 0.00 C ATOM 69 O PRO A 8 11.645 25.586 -2.896 1.00 0.00 O ATOM 70 CB PRO A 8 12.290 24.159 -5.846 1.00 0.00 C ATOM 71 CG PRO A 8 13.455 25.081 -5.946 1.00 0.00 C ATOM 72 CD PRO A 8 12.880 26.455 -6.153 1.00 0.00 C ATOM 0 HA PRO A 8 10.185 24.737 -5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.534 23.276 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.977 23.808 -6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.061 25.044 -5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.104 24.801 -6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.498 27.224 -5.689 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.803 26.703 -7.212 1.00 0.00 H new ATOM 80 N ALA A 9 10.658 23.598 -3.263 1.00 0.00 N ATOM 81 CA ALA A 9 10.593 23.246 -1.850 1.00 0.00 C ATOM 82 C ALA A 9 11.551 22.105 -1.524 1.00 0.00 C ATOM 83 O ALA A 9 12.267 21.615 -2.397 1.00 0.00 O ATOM 84 CB ALA A 9 9.170 22.869 -1.465 1.00 0.00 C ATOM 0 H ALA A 9 10.271 22.894 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 9 10.896 24.117 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.136 22.608 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.507 23.713 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.846 22.015 -2.060 1.00 0.00 H new ATOM 90 N ARG A 10 11.560 21.689 -0.262 1.00 0.00 N ATOM 91 CA ARG A 10 12.432 20.607 0.179 1.00 0.00 C ATOM 92 C ARG A 10 11.745 19.754 1.242 1.00 0.00 C ATOM 93 O ARG A 10 10.597 20.007 1.610 1.00 0.00 O ATOM 94 CB ARG A 10 13.741 21.172 0.732 1.00 0.00 C ATOM 95 CG ARG A 10 13.546 22.161 1.870 1.00 0.00 C ATOM 96 CD ARG A 10 13.316 23.571 1.350 1.00 0.00 C ATOM 97 NE ARG A 10 14.565 24.219 0.956 1.00 0.00 N ATOM 98 CZ ARG A 10 15.491 24.617 1.821 1.00 0.00 C ATOM 99 NH1 ARG A 10 15.310 24.435 3.122 1.00 0.00 N ATOM 100 NH2 ARG A 10 16.601 25.199 1.385 1.00 0.00 N ATOM 0 H ARG A 10 10.974 22.085 0.473 1.00 0.00 H new ATOM 0 HA ARG A 10 12.651 19.977 -0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.364 20.348 1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.285 21.663 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.696 21.854 2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.423 22.149 2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.640 23.537 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.826 24.166 2.120 1.00 0.00 H new ATOM 0 HE ARG A 10 14.735 24.374 -0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.458 23.988 3.461 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.023 24.742 3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.743 25.341 0.385 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.312 25.504 2.050 1.00 0.00 H new ATOM 114 N PHE A 11 12.454 18.743 1.731 1.00 0.00 N ATOM 115 CA PHE A 11 11.913 17.851 2.751 1.00 0.00 C ATOM 116 C PHE A 11 12.399 18.254 4.140 1.00 0.00 C ATOM 117 O PHE A 11 13.584 18.521 4.343 1.00 0.00 O ATOM 118 CB PHE A 11 12.313 16.404 2.458 1.00 0.00 C ATOM 119 CG PHE A 11 11.572 15.800 1.299 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.039 15.955 0.004 1.00 0.00 C ATOM 121 CD2 PHE A 11 10.409 15.076 1.505 1.00 0.00 C ATOM 122 CE1 PHE A 11 11.359 15.401 -1.064 1.00 0.00 C ATOM 123 CE2 PHE A 11 9.725 14.519 0.442 1.00 0.00 C ATOM 124 CZ PHE A 11 10.201 14.681 -0.845 1.00 0.00 C ATOM 0 H PHE A 11 13.405 18.520 1.438 1.00 0.00 H new ATOM 0 HA PHE A 11 10.826 17.932 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.383 16.365 2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.136 15.799 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.945 16.515 -0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.033 14.945 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.733 15.531 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.819 13.957 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.669 14.246 -1.678 1.00 0.00 H new ATOM 134 N THR A 12 11.475 18.297 5.095 1.00 0.00 N ATOM 135 CA THR A 12 11.808 18.669 6.464 1.00 0.00 C ATOM 136 C THR A 12 11.676 17.477 7.405 1.00 0.00 C ATOM 137 O THR A 12 12.130 17.524 8.548 1.00 0.00 O ATOM 138 CB THR A 12 10.907 19.811 6.971 1.00 0.00 C ATOM 139 OG1 THR A 12 9.567 19.337 7.144 1.00 0.00 O ATOM 140 CG2 THR A 12 10.914 20.979 5.997 1.00 0.00 C ATOM 0 H THR A 12 10.490 18.079 4.945 1.00 0.00 H new ATOM 0 HA THR A 12 12.843 19.009 6.456 1.00 0.00 H new ATOM 0 HB THR A 12 11.298 20.154 7.929 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.001 20.068 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.271 21.773 6.376 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.931 21.356 5.889 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.545 20.646 5.027 1.00 0.00 H new ATOM 148 N GLN A 13 11.053 16.409 6.916 1.00 0.00 N ATOM 149 CA GLN A 13 10.862 15.205 7.715 1.00 0.00 C ATOM 150 C GLN A 13 11.005 13.953 6.855 1.00 0.00 C ATOM 151 O GLN A 13 10.144 13.655 6.028 1.00 0.00 O ATOM 152 CB GLN A 13 9.487 15.224 8.384 1.00 0.00 C ATOM 153 CG GLN A 13 9.478 15.917 9.737 1.00 0.00 C ATOM 154 CD GLN A 13 10.256 15.152 10.790 1.00 0.00 C ATOM 155 OE1 GLN A 13 11.483 15.236 10.855 1.00 0.00 O ATOM 156 NE2 GLN A 13 9.545 14.399 11.621 1.00 0.00 N ATOM 0 H GLN A 13 10.672 16.354 5.971 1.00 0.00 H new ATOM 0 HA GLN A 13 11.633 15.185 8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.778 15.724 7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.138 14.199 8.508 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.901 16.916 9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.448 16.041 10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.530 14.359 11.531 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.014 13.861 12.349 1.00 0.00 H new ATOM 165 N ASP A 14 12.098 13.225 7.056 1.00 0.00 N ATOM 166 CA ASP A 14 12.354 12.005 6.300 1.00 0.00 C ATOM 167 C ASP A 14 11.054 11.256 6.022 1.00 0.00 C ATOM 168 O ASP A 14 10.301 10.933 6.942 1.00 0.00 O ATOM 169 CB ASP A 14 13.325 11.101 7.062 1.00 0.00 C ATOM 170 CG ASP A 14 14.404 11.887 7.780 1.00 0.00 C ATOM 171 OD1 ASP A 14 14.810 12.948 7.262 1.00 0.00 O ATOM 172 OD2 ASP A 14 14.844 11.440 8.860 1.00 0.00 O ATOM 0 H ASP A 14 12.821 13.459 7.736 1.00 0.00 H new ATOM 0 HA ASP A 14 12.803 12.285 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.770 10.506 7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.790 10.403 6.366 1.00 0.00 H new ATOM 177 N LEU A 15 10.796 10.983 4.747 1.00 0.00 N ATOM 178 CA LEU A 15 9.587 10.272 4.347 1.00 0.00 C ATOM 179 C LEU A 15 9.381 9.024 5.199 1.00 0.00 C ATOM 180 O LEU A 15 10.283 8.198 5.338 1.00 0.00 O ATOM 181 CB LEU A 15 9.664 9.887 2.868 1.00 0.00 C ATOM 182 CG LEU A 15 8.692 8.801 2.406 1.00 0.00 C ATOM 183 CD1 LEU A 15 7.328 9.400 2.100 1.00 0.00 C ATOM 184 CD2 LEU A 15 9.244 8.075 1.187 1.00 0.00 C ATOM 0 H LEU A 15 11.408 11.243 3.973 1.00 0.00 H new ATOM 0 HA LEU A 15 8.737 10.937 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.489 10.782 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.679 9.554 2.652 1.00 0.00 H new ATOM 0 HG LEU A 15 8.575 8.078 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.650 8.612 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.929 9.873 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.427 10.145 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.539 7.305 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.391 8.787 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.198 7.612 1.440 1.00 0.00 H new ATOM 196 N LYS A 16 8.187 8.892 5.766 1.00 0.00 N ATOM 197 CA LYS A 16 7.859 7.743 6.602 1.00 0.00 C ATOM 198 C LYS A 16 6.949 6.771 5.859 1.00 0.00 C ATOM 199 O LYS A 16 6.116 7.179 5.049 1.00 0.00 O ATOM 200 CB LYS A 16 7.184 8.203 7.896 1.00 0.00 C ATOM 201 CG LYS A 16 6.215 7.185 8.472 1.00 0.00 C ATOM 202 CD LYS A 16 4.809 7.385 7.932 1.00 0.00 C ATOM 203 CE LYS A 16 3.935 6.167 8.189 1.00 0.00 C ATOM 204 NZ LYS A 16 3.408 6.147 9.582 1.00 0.00 N ATOM 0 H LYS A 16 7.430 9.567 5.662 1.00 0.00 H new ATOM 0 HA LYS A 16 8.788 7.228 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.952 8.422 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.650 9.134 7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.558 6.179 8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.203 7.267 9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.360 8.262 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.854 7.582 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.102 6.162 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.512 5.261 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.817 5.302 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.202 6.126 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.836 6.999 9.749 1.00 0.00 H new ATOM 218 N THR A 17 7.112 5.482 6.140 1.00 0.00 N ATOM 219 CA THR A 17 6.305 4.451 5.498 1.00 0.00 C ATOM 220 C THR A 17 5.669 3.529 6.531 1.00 0.00 C ATOM 221 O THR A 17 5.950 3.629 7.726 1.00 0.00 O ATOM 222 CB THR A 17 7.144 3.608 4.520 1.00 0.00 C ATOM 223 OG1 THR A 17 6.356 2.531 4.001 1.00 0.00 O ATOM 224 CG2 THR A 17 8.381 3.051 5.210 1.00 0.00 C ATOM 0 H THR A 17 7.796 5.127 6.808 1.00 0.00 H new ATOM 0 HA THR A 17 5.521 4.964 4.942 1.00 0.00 H new ATOM 0 HB THR A 17 7.463 4.252 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.662 2.308 3.097 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.958 2.459 4.500 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.993 3.874 5.579 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.078 2.421 6.046 1.00 0.00 H new ATOM 232 N LYS A 18 4.811 2.628 6.064 1.00 0.00 N ATOM 233 CA LYS A 18 4.135 1.684 6.947 1.00 0.00 C ATOM 234 C LYS A 18 4.253 0.260 6.414 1.00 0.00 C ATOM 235 O LYS A 18 4.411 0.049 5.212 1.00 0.00 O ATOM 236 CB LYS A 18 2.660 2.063 7.099 1.00 0.00 C ATOM 237 CG LYS A 18 1.788 1.582 5.952 1.00 0.00 C ATOM 238 CD LYS A 18 1.274 0.173 6.195 1.00 0.00 C ATOM 239 CE LYS A 18 -0.051 0.183 6.943 1.00 0.00 C ATOM 240 NZ LYS A 18 0.133 0.470 8.392 1.00 0.00 N ATOM 0 H LYS A 18 4.567 2.532 5.078 1.00 0.00 H new ATOM 0 HA LYS A 18 4.618 1.728 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.281 1.647 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.578 3.147 7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.945 2.261 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.359 1.607 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.150 -0.340 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.011 -0.391 6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.710 0.933 6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.543 -0.782 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.679 0.099 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.006 0.015 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.201 1.498 8.536 1.00 0.00 H new ATOM 254 N GLU A 19 4.175 -0.713 7.316 1.00 0.00 N ATOM 255 CA GLU A 19 4.273 -2.117 6.935 1.00 0.00 C ATOM 256 C GLU A 19 2.889 -2.752 6.837 1.00 0.00 C ATOM 257 O GLU A 19 2.091 -2.672 7.770 1.00 0.00 O ATOM 258 CB GLU A 19 5.128 -2.885 7.945 1.00 0.00 C ATOM 259 CG GLU A 19 4.436 -3.114 9.278 1.00 0.00 C ATOM 260 CD GLU A 19 5.390 -3.592 10.356 1.00 0.00 C ATOM 261 OE1 GLU A 19 6.510 -3.045 10.441 1.00 0.00 O ATOM 262 OE2 GLU A 19 5.018 -4.512 11.113 1.00 0.00 O ATOM 0 H GLU A 19 4.044 -0.555 8.315 1.00 0.00 H new ATOM 0 HA GLU A 19 4.748 -2.168 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.402 -3.849 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.054 -2.337 8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.963 -2.187 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.641 -3.849 9.149 1.00 0.00 H new ATOM 269 N ALA A 20 2.612 -3.382 5.700 1.00 0.00 N ATOM 270 CA ALA A 20 1.326 -4.032 5.480 1.00 0.00 C ATOM 271 C ALA A 20 1.508 -5.415 4.863 1.00 0.00 C ATOM 272 O ALA A 20 2.597 -5.763 4.407 1.00 0.00 O ATOM 273 CB ALA A 20 0.443 -3.168 4.592 1.00 0.00 C ATOM 0 H ALA A 20 3.261 -3.456 4.917 1.00 0.00 H new ATOM 0 HA ALA A 20 0.839 -4.156 6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.514 -3.666 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.277 -2.204 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.933 -3.015 3.631 1.00 0.00 H new ATOM 279 N SER A 21 0.435 -6.199 4.854 1.00 0.00 N ATOM 280 CA SER A 21 0.478 -7.546 4.297 1.00 0.00 C ATOM 281 C SER A 21 0.011 -7.549 2.845 1.00 0.00 C ATOM 282 O SER A 21 -0.496 -6.546 2.344 1.00 0.00 O ATOM 283 CB SER A 21 -0.393 -8.492 5.127 1.00 0.00 C ATOM 284 OG SER A 21 -0.017 -8.464 6.493 1.00 0.00 O ATOM 0 H SER A 21 -0.474 -5.925 5.226 1.00 0.00 H new ATOM 0 HA SER A 21 1.511 -7.893 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.441 -8.207 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.301 -9.508 4.742 1.00 0.00 H new ATOM 0 HG SER A 21 -0.589 -9.075 7.002 1.00 0.00 H new ATOM 290 N GLU A 22 0.186 -8.684 2.175 1.00 0.00 N ATOM 291 CA GLU A 22 -0.216 -8.817 0.780 1.00 0.00 C ATOM 292 C GLU A 22 -1.701 -8.507 0.611 1.00 0.00 C ATOM 293 O GLU A 22 -2.533 -8.951 1.401 1.00 0.00 O ATOM 294 CB GLU A 22 0.082 -10.230 0.273 1.00 0.00 C ATOM 295 CG GLU A 22 1.480 -10.387 -0.302 1.00 0.00 C ATOM 296 CD GLU A 22 1.649 -11.679 -1.078 1.00 0.00 C ATOM 297 OE1 GLU A 22 0.849 -11.923 -2.005 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.582 -12.445 -0.759 1.00 0.00 O ATOM 0 H GLU A 22 0.603 -9.524 2.576 1.00 0.00 H new ATOM 0 HA GLU A 22 0.357 -8.100 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.046 -10.936 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.648 -10.494 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.697 -9.543 -0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.208 -10.356 0.509 1.00 0.00 H new ATOM 305 N GLY A 23 -2.025 -7.742 -0.427 1.00 0.00 N ATOM 306 CA GLY A 23 -3.408 -7.384 -0.682 1.00 0.00 C ATOM 307 C GLY A 23 -3.835 -6.143 0.075 1.00 0.00 C ATOM 308 O GLY A 23 -4.774 -5.455 -0.325 1.00 0.00 O ATOM 0 H GLY A 23 -1.354 -7.364 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.546 -7.219 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.053 -8.217 -0.402 1.00 0.00 H new ATOM 312 N ALA A 24 -3.145 -5.855 1.174 1.00 0.00 N ATOM 313 CA ALA A 24 -3.458 -4.688 1.990 1.00 0.00 C ATOM 314 C ALA A 24 -3.013 -3.403 1.302 1.00 0.00 C ATOM 315 O ALA A 24 -2.506 -3.429 0.179 1.00 0.00 O ATOM 316 CB ALA A 24 -2.806 -4.810 3.359 1.00 0.00 C ATOM 0 H ALA A 24 -2.365 -6.414 1.520 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.540 -4.645 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.048 -3.932 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.177 -5.704 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.725 -4.882 3.242 1.00 0.00 H new ATOM 322 N THR A 25 -3.204 -2.276 1.981 1.00 0.00 N ATOM 323 CA THR A 25 -2.824 -0.980 1.434 1.00 0.00 C ATOM 324 C THR A 25 -1.800 -0.286 2.326 1.00 0.00 C ATOM 325 O THR A 25 -1.958 -0.234 3.545 1.00 0.00 O ATOM 326 CB THR A 25 -4.048 -0.060 1.266 1.00 0.00 C ATOM 327 OG1 THR A 25 -4.998 -0.665 0.383 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.633 1.298 0.719 1.00 0.00 C ATOM 0 H THR A 25 -3.620 -2.235 2.911 1.00 0.00 H new ATOM 0 HA THR A 25 -2.382 -1.167 0.455 1.00 0.00 H new ATOM 0 HB THR A 25 -4.504 0.084 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.774 -0.075 0.283 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.514 1.930 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.932 1.769 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.155 1.169 -0.252 1.00 0.00 H new ATOM 336 N ALA A 26 -0.750 0.246 1.709 1.00 0.00 N ATOM 337 CA ALA A 26 0.299 0.939 2.447 1.00 0.00 C ATOM 338 C ALA A 26 -0.060 2.405 2.665 1.00 0.00 C ATOM 339 O ALA A 26 -1.115 2.868 2.231 1.00 0.00 O ATOM 340 CB ALA A 26 1.627 0.822 1.713 1.00 0.00 C ATOM 0 H ALA A 26 -0.603 0.210 0.700 1.00 0.00 H new ATOM 0 HA ALA A 26 0.394 0.466 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.401 1.344 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.897 -0.229 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.536 1.267 0.722 1.00 0.00 H new ATOM 346 N THR A 27 0.825 3.132 3.340 1.00 0.00 N ATOM 347 CA THR A 27 0.600 4.546 3.617 1.00 0.00 C ATOM 348 C THR A 27 1.910 5.258 3.937 1.00 0.00 C ATOM 349 O THR A 27 2.503 5.044 4.995 1.00 0.00 O ATOM 350 CB THR A 27 -0.377 4.740 4.792 1.00 0.00 C ATOM 351 OG1 THR A 27 -1.548 3.941 4.592 1.00 0.00 O ATOM 352 CG2 THR A 27 -0.772 6.202 4.931 1.00 0.00 C ATOM 0 H THR A 27 1.704 2.765 3.705 1.00 0.00 H new ATOM 0 HA THR A 27 0.164 4.979 2.717 1.00 0.00 H new ATOM 0 HB THR A 27 0.124 4.427 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.681 3.790 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.462 6.314 5.767 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.119 6.804 5.112 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.256 6.537 4.014 1.00 0.00 H new ATOM 360 N LEU A 28 2.356 6.106 3.017 1.00 0.00 N ATOM 361 CA LEU A 28 3.596 6.852 3.201 1.00 0.00 C ATOM 362 C LEU A 28 3.316 8.342 3.370 1.00 0.00 C ATOM 363 O LEU A 28 2.540 8.926 2.613 1.00 0.00 O ATOM 364 CB LEU A 28 4.531 6.628 2.011 1.00 0.00 C ATOM 365 CG LEU A 28 4.770 5.172 1.610 1.00 0.00 C ATOM 366 CD1 LEU A 28 3.720 4.715 0.610 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.168 5.000 1.034 1.00 0.00 C ATOM 0 H LEU A 28 1.878 6.294 2.136 1.00 0.00 H new ATOM 0 HA LEU A 28 4.079 6.487 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.124 7.159 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.494 7.083 2.241 1.00 0.00 H new ATOM 0 HG LEU A 28 4.687 4.551 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.906 3.677 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.730 4.800 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.770 5.340 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.320 3.958 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.279 5.632 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.907 5.287 1.782 1.00 0.00 H new ATOM 379 N GLN A 29 3.954 8.950 4.364 1.00 0.00 N ATOM 380 CA GLN A 29 3.774 10.373 4.630 1.00 0.00 C ATOM 381 C GLN A 29 5.110 11.107 4.592 1.00 0.00 C ATOM 382 O GLN A 29 6.124 10.595 5.068 1.00 0.00 O ATOM 383 CB GLN A 29 3.103 10.578 5.989 1.00 0.00 C ATOM 384 CG GLN A 29 1.598 10.370 5.962 1.00 0.00 C ATOM 385 CD GLN A 29 0.941 10.692 7.290 1.00 0.00 C ATOM 386 OE1 GLN A 29 1.292 11.671 7.949 1.00 0.00 O ATOM 387 NE2 GLN A 29 -0.020 9.867 7.691 1.00 0.00 N ATOM 0 H GLN A 29 4.600 8.480 4.999 1.00 0.00 H new ATOM 0 HA GLN A 29 3.133 10.785 3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.544 9.889 6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.316 11.587 6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.162 10.997 5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.383 9.335 5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.279 9.067 7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.498 10.033 8.576 1.00 0.00 H new ATOM 396 N CYS A 30 5.104 12.308 4.024 1.00 0.00 N ATOM 397 CA CYS A 30 6.316 13.112 3.924 1.00 0.00 C ATOM 398 C CYS A 30 5.998 14.596 4.074 1.00 0.00 C ATOM 399 O CYS A 30 5.021 15.091 3.514 1.00 0.00 O ATOM 400 CB CYS A 30 7.011 12.860 2.585 1.00 0.00 C ATOM 401 SG CYS A 30 6.270 13.742 1.191 1.00 0.00 S ATOM 0 H CYS A 30 4.273 12.746 3.626 1.00 0.00 H new ATOM 0 HA CYS A 30 6.985 12.819 4.733 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.058 13.152 2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.994 11.791 2.375 1.00 0.00 H new ATOM 0 HG CYS A 30 5.423 14.622 1.635 1.00 0.00 H new ATOM 407 N GLU A 31 6.830 15.300 4.836 1.00 0.00 N ATOM 408 CA GLU A 31 6.635 16.728 5.062 1.00 0.00 C ATOM 409 C GLU A 31 7.396 17.551 4.027 1.00 0.00 C ATOM 410 O GLU A 31 8.169 17.012 3.234 1.00 0.00 O ATOM 411 CB GLU A 31 7.091 17.111 6.471 1.00 0.00 C ATOM 412 CG GLU A 31 6.417 18.361 7.010 1.00 0.00 C ATOM 413 CD GLU A 31 6.419 18.417 8.526 1.00 0.00 C ATOM 414 OE1 GLU A 31 6.064 17.401 9.158 1.00 0.00 O ATOM 415 OE2 GLU A 31 6.775 19.479 9.079 1.00 0.00 O ATOM 0 H GLU A 31 7.644 14.905 5.307 1.00 0.00 H new ATOM 0 HA GLU A 31 5.571 16.944 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.890 16.280 7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.170 17.264 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.925 19.242 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.389 18.399 6.650 1.00 0.00 H new ATOM 422 N LEU A 32 7.172 18.861 4.040 1.00 0.00 N ATOM 423 CA LEU A 32 7.835 19.760 3.103 1.00 0.00 C ATOM 424 C LEU A 32 7.958 21.163 3.689 1.00 0.00 C ATOM 425 O LEU A 32 7.127 21.586 4.493 1.00 0.00 O ATOM 426 CB LEU A 32 7.065 19.813 1.783 1.00 0.00 C ATOM 427 CG LEU A 32 7.011 18.509 0.985 1.00 0.00 C ATOM 428 CD1 LEU A 32 5.942 18.588 -0.094 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.370 18.203 0.371 1.00 0.00 C ATOM 0 H LEU A 32 6.536 19.324 4.690 1.00 0.00 H new ATOM 0 HA LEU A 32 8.837 19.374 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.043 20.129 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.514 20.582 1.154 1.00 0.00 H new ATOM 0 HG LEU A 32 6.752 17.699 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.918 17.652 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.970 18.760 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.171 19.409 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.313 17.272 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.659 19.015 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.113 18.103 1.163 1.00 0.00 H new ATOM 441 N SER A 33 9.000 21.881 3.280 1.00 0.00 N ATOM 442 CA SER A 33 9.232 23.236 3.765 1.00 0.00 C ATOM 443 C SER A 33 8.103 24.168 3.338 1.00 0.00 C ATOM 444 O SER A 33 7.801 25.150 4.016 1.00 0.00 O ATOM 445 CB SER A 33 10.570 23.764 3.244 1.00 0.00 C ATOM 446 OG SER A 33 10.859 25.042 3.785 1.00 0.00 O ATOM 0 H SER A 33 9.696 21.546 2.614 1.00 0.00 H new ATOM 0 HA SER A 33 9.260 23.205 4.854 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.366 23.067 3.505 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.542 23.824 2.156 1.00 0.00 H new ATOM 0 HG SER A 33 11.397 25.554 3.145 1.00 0.00 H new ATOM 452 N LYS A 34 7.481 23.853 2.207 1.00 0.00 N ATOM 453 CA LYS A 34 6.383 24.659 1.686 1.00 0.00 C ATOM 454 C LYS A 34 5.549 23.863 0.688 1.00 0.00 C ATOM 455 O LYS A 34 6.055 22.960 0.021 1.00 0.00 O ATOM 456 CB LYS A 34 6.925 25.925 1.019 1.00 0.00 C ATOM 457 CG LYS A 34 7.787 25.649 -0.201 1.00 0.00 C ATOM 458 CD LYS A 34 7.801 26.832 -1.153 1.00 0.00 C ATOM 459 CE LYS A 34 9.053 26.837 -2.018 1.00 0.00 C ATOM 460 NZ LYS A 34 9.449 28.218 -2.413 1.00 0.00 N ATOM 0 H LYS A 34 7.719 23.044 1.633 1.00 0.00 H new ATOM 0 HA LYS A 34 5.744 24.941 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.087 26.558 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.510 26.487 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.805 25.424 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.412 24.767 -0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.917 26.798 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.748 27.760 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.872 26.366 -1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.879 26.239 -2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.508 28.279 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.740 28.895 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.376 28.445 -1.999 1.00 0.00 H new ATOM 474 N VAL A 35 4.268 24.204 0.588 1.00 0.00 N ATOM 475 CA VAL A 35 3.364 23.523 -0.331 1.00 0.00 C ATOM 476 C VAL A 35 3.901 23.561 -1.758 1.00 0.00 C ATOM 477 O VAL A 35 3.979 24.623 -2.374 1.00 0.00 O ATOM 478 CB VAL A 35 1.959 24.152 -0.306 1.00 0.00 C ATOM 479 CG1 VAL A 35 1.013 23.384 -1.217 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.422 24.199 1.117 1.00 0.00 C ATOM 0 H VAL A 35 3.833 24.948 1.133 1.00 0.00 H new ATOM 0 HA VAL A 35 3.295 22.487 0.001 1.00 0.00 H new ATOM 0 HB VAL A 35 2.031 25.174 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.025 23.843 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.392 23.408 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.943 22.350 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.428 24.647 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.364 23.187 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.089 24.797 1.738 1.00 0.00 H new ATOM 490 N ALA A 36 4.268 22.394 -2.277 1.00 0.00 N ATOM 491 CA ALA A 36 4.794 22.293 -3.633 1.00 0.00 C ATOM 492 C ALA A 36 4.479 20.932 -4.244 1.00 0.00 C ATOM 493 O ALA A 36 4.334 19.929 -3.545 1.00 0.00 O ATOM 494 CB ALA A 36 6.295 22.540 -3.636 1.00 0.00 C ATOM 0 H ALA A 36 4.211 21.506 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 36 4.310 23.056 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.675 22.462 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.500 23.538 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.787 21.798 -3.007 1.00 0.00 H new ATOM 500 N PRO A 37 4.369 20.894 -5.580 1.00 0.00 N ATOM 501 CA PRO A 37 4.069 19.662 -6.315 1.00 0.00 C ATOM 502 C PRO A 37 5.229 18.672 -6.284 1.00 0.00 C ATOM 503 O PRO A 37 6.304 18.943 -6.820 1.00 0.00 O ATOM 504 CB PRO A 37 3.822 20.152 -7.744 1.00 0.00 C ATOM 505 CG PRO A 37 4.585 21.428 -7.844 1.00 0.00 C ATOM 506 CD PRO A 37 4.529 22.051 -6.477 1.00 0.00 C ATOM 0 HA PRO A 37 3.225 19.125 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.169 19.424 -8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.760 20.310 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.616 21.244 -8.147 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.146 22.088 -8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.437 22.610 -6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.695 22.747 -6.387 1.00 0.00 H new ATOM 514 N VAL A 38 5.004 17.523 -5.654 1.00 0.00 N ATOM 515 CA VAL A 38 6.030 16.492 -5.555 1.00 0.00 C ATOM 516 C VAL A 38 5.697 15.298 -6.442 1.00 0.00 C ATOM 517 O VAL A 38 4.542 15.092 -6.813 1.00 0.00 O ATOM 518 CB VAL A 38 6.201 16.008 -4.103 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.356 17.191 -3.160 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.023 15.138 -3.690 1.00 0.00 C ATOM 0 H VAL A 38 4.120 17.283 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 38 6.964 16.942 -5.892 1.00 0.00 H new ATOM 0 HB VAL A 38 7.108 15.406 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.476 16.829 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.234 17.771 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.470 17.822 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.160 14.805 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.101 15.715 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.963 14.271 -4.348 1.00 0.00 H new ATOM 530 N GLU A 39 6.716 14.514 -6.778 1.00 0.00 N ATOM 531 CA GLU A 39 6.531 13.339 -7.622 1.00 0.00 C ATOM 532 C GLU A 39 7.081 12.089 -6.943 1.00 0.00 C ATOM 533 O GLU A 39 8.203 12.088 -6.436 1.00 0.00 O ATOM 534 CB GLU A 39 7.216 13.543 -8.975 1.00 0.00 C ATOM 535 CG GLU A 39 6.834 12.502 -10.013 1.00 0.00 C ATOM 536 CD GLU A 39 5.623 12.909 -10.830 1.00 0.00 C ATOM 537 OE1 GLU A 39 5.711 13.920 -11.558 1.00 0.00 O ATOM 538 OE2 GLU A 39 4.588 12.217 -10.741 1.00 0.00 O ATOM 0 H GLU A 39 7.678 14.671 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 39 5.461 13.202 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.963 14.533 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.296 13.523 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.679 12.334 -10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.629 11.555 -9.514 1.00 0.00 H new ATOM 545 N TRP A 40 6.284 11.027 -6.937 1.00 0.00 N ATOM 546 CA TRP A 40 6.690 9.769 -6.320 1.00 0.00 C ATOM 547 C TRP A 40 7.370 8.859 -7.336 1.00 0.00 C ATOM 548 O TRP A 40 6.996 8.832 -8.509 1.00 0.00 O ATOM 549 CB TRP A 40 5.479 9.061 -5.712 1.00 0.00 C ATOM 550 CG TRP A 40 4.827 9.838 -4.609 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.018 10.930 -4.743 1.00 0.00 C ATOM 552 CD2 TRP A 40 4.932 9.585 -3.204 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.613 11.370 -3.506 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.160 10.561 -2.545 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.602 8.627 -2.438 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.041 10.606 -1.158 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.483 8.672 -1.062 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.708 9.656 -0.433 1.00 0.00 C ATOM 0 H TRP A 40 5.353 11.011 -7.352 1.00 0.00 H new ATOM 0 HA TRP A 40 7.404 9.995 -5.528 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.746 8.873 -6.496 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.791 8.090 -5.327 1.00 0.00 H new ATOM 0 HD1 TRP A 40 3.738 11.381 -5.683 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.004 12.169 -3.331 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.202 7.865 -2.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.444 11.363 -0.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.996 7.936 -0.461 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.636 9.665 0.645 1.00 0.00 H new ATOM 569 N LYS A 41 8.371 8.113 -6.880 1.00 0.00 N ATOM 570 CA LYS A 41 9.103 7.199 -7.749 1.00 0.00 C ATOM 571 C LYS A 41 9.334 5.859 -7.058 1.00 0.00 C ATOM 572 O LYS A 41 9.515 5.799 -5.842 1.00 0.00 O ATOM 573 CB LYS A 41 10.444 7.814 -8.156 1.00 0.00 C ATOM 574 CG LYS A 41 10.339 8.790 -9.315 1.00 0.00 C ATOM 575 CD LYS A 41 11.621 8.826 -10.131 1.00 0.00 C ATOM 576 CE LYS A 41 11.563 9.895 -11.211 1.00 0.00 C ATOM 577 NZ LYS A 41 12.016 11.220 -10.705 1.00 0.00 N ATOM 0 H LYS A 41 8.694 8.124 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 41 8.503 7.028 -8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.874 8.328 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.134 7.014 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.506 8.505 -9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.121 9.788 -8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.468 9.018 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.789 7.852 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.187 9.595 -12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.543 9.979 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.440 11.971 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.910 11.252 -9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.015 11.364 -10.955 1.00 0.00 H new ATOM 591 N LYS A 42 9.328 4.786 -7.842 1.00 0.00 N ATOM 592 CA LYS A 42 9.540 3.447 -7.307 1.00 0.00 C ATOM 593 C LYS A 42 10.873 2.876 -7.780 1.00 0.00 C ATOM 594 O LYS A 42 11.088 1.665 -7.748 1.00 0.00 O ATOM 595 CB LYS A 42 8.398 2.520 -7.729 1.00 0.00 C ATOM 596 CG LYS A 42 8.481 1.133 -7.116 1.00 0.00 C ATOM 597 CD LYS A 42 7.136 0.427 -7.148 1.00 0.00 C ATOM 598 CE LYS A 42 7.300 -1.085 -7.130 1.00 0.00 C ATOM 599 NZ LYS A 42 6.190 -1.772 -7.847 1.00 0.00 N ATOM 0 H LYS A 42 9.179 4.818 -8.850 1.00 0.00 H new ATOM 0 HA LYS A 42 9.560 3.517 -6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.449 2.976 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.398 2.428 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.218 0.539 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.828 1.210 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.539 0.740 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.589 0.724 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.251 -1.353 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.337 -1.434 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.511 -2.707 -8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.380 -1.887 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.902 -1.203 -8.668 1.00 0.00 H new ATOM 613 N GLY A 43 11.767 3.758 -8.219 1.00 0.00 N ATOM 614 CA GLY A 43 13.069 3.323 -8.691 1.00 0.00 C ATOM 615 C GLY A 43 13.571 4.154 -9.855 1.00 0.00 C ATOM 616 O GLY A 43 13.367 5.367 -9.912 1.00 0.00 O ATOM 0 H GLY A 43 11.613 4.766 -8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.786 3.379 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.012 2.277 -8.993 1.00 0.00 H new ATOM 620 N PRO A 44 14.246 3.497 -10.809 1.00 0.00 N ATOM 621 CA PRO A 44 14.794 4.164 -11.993 1.00 0.00 C ATOM 622 C PRO A 44 13.704 4.633 -12.951 1.00 0.00 C ATOM 623 O PRO A 44 13.994 5.157 -14.026 1.00 0.00 O ATOM 624 CB PRO A 44 15.650 3.077 -12.649 1.00 0.00 C ATOM 625 CG PRO A 44 15.047 1.794 -12.192 1.00 0.00 C ATOM 626 CD PRO A 44 14.526 2.051 -10.805 1.00 0.00 C ATOM 0 HA PRO A 44 15.350 5.064 -11.732 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.630 3.159 -13.736 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.693 3.156 -12.343 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.243 1.481 -12.859 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.788 0.994 -12.189 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.628 1.468 -10.598 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.260 1.786 -10.044 1.00 0.00 H new ATOM 634 N GLU A 45 12.451 4.443 -12.552 1.00 0.00 N ATOM 635 CA GLU A 45 11.318 4.847 -13.377 1.00 0.00 C ATOM 636 C GLU A 45 10.431 5.842 -12.633 1.00 0.00 C ATOM 637 O GLU A 45 10.603 6.070 -11.435 1.00 0.00 O ATOM 638 CB GLU A 45 10.496 3.623 -13.789 1.00 0.00 C ATOM 639 CG GLU A 45 10.940 3.007 -15.104 1.00 0.00 C ATOM 640 CD GLU A 45 10.654 1.520 -15.178 1.00 0.00 C ATOM 641 OE1 GLU A 45 10.804 0.836 -14.144 1.00 0.00 O ATOM 642 OE2 GLU A 45 10.281 1.040 -16.268 1.00 0.00 O ATOM 0 H GLU A 45 12.194 4.012 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 45 11.708 5.332 -14.272 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.563 2.870 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.447 3.910 -13.867 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.434 3.512 -15.927 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.009 3.175 -15.237 1.00 0.00 H new ATOM 649 N THR A 46 9.482 6.432 -13.353 1.00 0.00 N ATOM 650 CA THR A 46 8.570 7.404 -12.763 1.00 0.00 C ATOM 651 C THR A 46 7.146 6.860 -12.711 1.00 0.00 C ATOM 652 O THR A 46 6.684 6.211 -13.650 1.00 0.00 O ATOM 653 CB THR A 46 8.573 8.727 -13.551 1.00 0.00 C ATOM 654 OG1 THR A 46 9.859 8.944 -14.141 1.00 0.00 O ATOM 655 CG2 THR A 46 8.221 9.898 -12.645 1.00 0.00 C ATOM 0 H THR A 46 9.325 6.254 -14.345 1.00 0.00 H new ATOM 0 HA THR A 46 8.922 7.593 -11.749 1.00 0.00 H new ATOM 0 HB THR A 46 7.821 8.657 -14.337 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.851 9.787 -14.642 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.230 10.821 -13.224 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.229 9.745 -12.221 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.952 9.968 -11.840 1.00 0.00 H new ATOM 663 N LEU A 47 6.456 7.128 -11.608 1.00 0.00 N ATOM 664 CA LEU A 47 5.083 6.666 -11.434 1.00 0.00 C ATOM 665 C LEU A 47 4.091 7.791 -11.709 1.00 0.00 C ATOM 666 O LEU A 47 4.480 8.898 -12.082 1.00 0.00 O ATOM 667 CB LEU A 47 4.882 6.129 -10.016 1.00 0.00 C ATOM 668 CG LEU A 47 5.701 4.892 -9.644 1.00 0.00 C ATOM 669 CD1 LEU A 47 5.436 4.490 -8.201 1.00 0.00 C ATOM 670 CD2 LEU A 47 5.384 3.740 -10.587 1.00 0.00 C ATOM 0 H LEU A 47 6.824 7.662 -10.821 1.00 0.00 H new ATOM 0 HA LEU A 47 4.902 5.864 -12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.122 6.924 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.826 5.894 -9.884 1.00 0.00 H new ATOM 0 HG LEU A 47 6.759 5.137 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.027 3.608 -7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.713 5.310 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.377 4.264 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.975 2.868 -10.308 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.324 3.496 -10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.625 4.030 -11.610 1.00 0.00 H new ATOM 682 N ARG A 48 2.808 7.500 -11.521 1.00 0.00 N ATOM 683 CA ARG A 48 1.759 8.488 -11.748 1.00 0.00 C ATOM 684 C ARG A 48 0.503 8.139 -10.955 1.00 0.00 C ATOM 685 O ARG A 48 0.271 6.978 -10.619 1.00 0.00 O ATOM 686 CB ARG A 48 1.426 8.576 -13.239 1.00 0.00 C ATOM 687 CG ARG A 48 2.484 9.298 -14.057 1.00 0.00 C ATOM 688 CD ARG A 48 2.074 9.417 -15.517 1.00 0.00 C ATOM 689 NE ARG A 48 2.393 8.211 -16.276 1.00 0.00 N ATOM 690 CZ ARG A 48 2.264 8.117 -17.594 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.826 9.153 -18.296 1.00 0.00 N ATOM 692 NH2 ARG A 48 2.575 6.986 -18.214 1.00 0.00 N ATOM 0 H ARG A 48 2.470 6.589 -11.212 1.00 0.00 H new ATOM 0 HA ARG A 48 2.126 9.456 -11.407 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.298 7.568 -13.634 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.472 9.089 -13.360 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.650 10.292 -13.642 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.430 8.761 -13.986 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.003 9.611 -15.578 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.579 10.272 -15.967 1.00 0.00 H new ATOM 0 HE ARG A 48 2.734 7.396 -15.766 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.587 10.025 -17.824 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.728 9.078 -19.308 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.914 6.187 -17.678 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.475 6.915 -19.227 1.00 0.00 H new ATOM 706 N ASP A 49 -0.304 9.152 -10.659 1.00 0.00 N ATOM 707 CA ASP A 49 -1.536 8.953 -9.906 1.00 0.00 C ATOM 708 C ASP A 49 -2.662 8.481 -10.822 1.00 0.00 C ATOM 709 O ASP A 49 -2.986 9.135 -11.812 1.00 0.00 O ATOM 710 CB ASP A 49 -1.944 10.249 -9.203 1.00 0.00 C ATOM 711 CG ASP A 49 -2.721 11.181 -10.111 1.00 0.00 C ATOM 712 OD1 ASP A 49 -2.083 11.998 -10.808 1.00 0.00 O ATOM 713 OD2 ASP A 49 -3.967 11.095 -10.125 1.00 0.00 O ATOM 0 H ASP A 49 -0.127 10.119 -10.929 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.354 8.183 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.550 10.009 -8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.051 10.759 -8.842 1.00 0.00 H new ATOM 718 N GLY A 50 -3.254 7.340 -10.483 1.00 0.00 N ATOM 719 CA GLY A 50 -4.336 6.799 -11.285 1.00 0.00 C ATOM 720 C GLY A 50 -4.493 5.301 -11.112 1.00 0.00 C ATOM 721 O GLY A 50 -5.520 4.829 -10.628 1.00 0.00 O ATOM 0 H GLY A 50 -3.004 6.781 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.269 7.293 -11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.152 7.023 -12.336 1.00 0.00 H new ATOM 725 N GLY A 51 -3.470 4.550 -11.511 1.00 0.00 N ATOM 726 CA GLY A 51 -3.520 3.105 -11.391 1.00 0.00 C ATOM 727 C GLY A 51 -3.639 2.646 -9.951 1.00 0.00 C ATOM 728 O GLY A 51 -4.415 3.207 -9.177 1.00 0.00 O ATOM 0 H GLY A 51 -2.608 4.917 -11.915 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.368 2.725 -11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.621 2.676 -11.833 1.00 0.00 H new ATOM 732 N ARG A 52 -2.870 1.624 -9.592 1.00 0.00 N ATOM 733 CA ARG A 52 -2.895 1.088 -8.236 1.00 0.00 C ATOM 734 C ARG A 52 -2.039 1.936 -7.301 1.00 0.00 C ATOM 735 O ARG A 52 -1.288 1.408 -6.480 1.00 0.00 O ATOM 736 CB ARG A 52 -2.400 -0.359 -8.227 1.00 0.00 C ATOM 737 CG ARG A 52 -3.264 -1.304 -9.046 1.00 0.00 C ATOM 738 CD ARG A 52 -2.910 -2.758 -8.776 1.00 0.00 C ATOM 739 NE ARG A 52 -4.016 -3.658 -9.092 1.00 0.00 N ATOM 740 CZ ARG A 52 -4.281 -4.095 -10.318 1.00 0.00 C ATOM 741 NH1 ARG A 52 -3.522 -3.718 -11.338 1.00 0.00 N ATOM 742 NH2 ARG A 52 -5.305 -4.913 -10.526 1.00 0.00 N ATOM 0 H ARG A 52 -2.222 1.150 -10.221 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.925 1.114 -7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.380 -0.388 -8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.363 -0.715 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.315 -1.134 -8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.136 -1.088 -10.107 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.037 -3.035 -9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.635 -2.876 -7.728 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.618 -3.968 -8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.733 -3.091 -11.182 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.728 -4.055 -12.279 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.890 -5.207 -9.744 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.507 -5.248 -11.468 1.00 0.00 H new ATOM 756 N TYR A 53 -2.156 3.253 -7.431 1.00 0.00 N ATOM 757 CA TYR A 53 -1.390 4.174 -6.600 1.00 0.00 C ATOM 758 C TYR A 53 -2.146 5.484 -6.398 1.00 0.00 C ATOM 759 O TYR A 53 -2.316 6.266 -7.334 1.00 0.00 O ATOM 760 CB TYR A 53 -0.026 4.453 -7.234 1.00 0.00 C ATOM 761 CG TYR A 53 0.821 3.214 -7.417 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.424 2.594 -6.329 1.00 0.00 C ATOM 763 CD2 TYR A 53 1.019 2.663 -8.677 1.00 0.00 C ATOM 764 CE1 TYR A 53 2.200 1.462 -6.491 1.00 0.00 C ATOM 765 CE2 TYR A 53 1.792 1.531 -8.848 1.00 0.00 C ATOM 766 CZ TYR A 53 2.380 0.934 -7.752 1.00 0.00 C ATOM 767 OH TYR A 53 3.151 -0.193 -7.919 1.00 0.00 O ATOM 0 H TYR A 53 -2.774 3.707 -8.104 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.242 3.707 -5.626 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.176 4.927 -8.204 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.516 5.165 -6.611 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.284 3.004 -5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.561 3.128 -9.537 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.663 0.994 -5.635 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.935 1.115 -9.835 1.00 0.00 H new ATOM 0 HH TYR A 53 3.168 -0.705 -7.083 1.00 0.00 H new ATOM 777 N SER A 54 -2.599 5.715 -5.170 1.00 0.00 N ATOM 778 CA SER A 54 -3.340 6.928 -4.845 1.00 0.00 C ATOM 779 C SER A 54 -2.464 7.910 -4.072 1.00 0.00 C ATOM 780 O SER A 54 -2.133 7.682 -2.908 1.00 0.00 O ATOM 781 CB SER A 54 -4.586 6.585 -4.025 1.00 0.00 C ATOM 782 OG SER A 54 -5.688 6.299 -4.869 1.00 0.00 O ATOM 0 H SER A 54 -2.466 5.078 -4.384 1.00 0.00 H new ATOM 0 HA SER A 54 -3.646 7.399 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.380 5.726 -3.387 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.834 7.419 -3.368 1.00 0.00 H new ATOM 0 HG SER A 54 -6.471 6.081 -4.322 1.00 0.00 H new ATOM 788 N LEU A 55 -2.091 9.003 -4.729 1.00 0.00 N ATOM 789 CA LEU A 55 -1.253 10.021 -4.105 1.00 0.00 C ATOM 790 C LEU A 55 -2.037 11.310 -3.882 1.00 0.00 C ATOM 791 O LEU A 55 -2.505 11.938 -4.833 1.00 0.00 O ATOM 792 CB LEU A 55 -0.025 10.301 -4.974 1.00 0.00 C ATOM 793 CG LEU A 55 0.540 9.106 -5.741 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.302 8.816 -6.974 1.00 0.00 C ATOM 795 CD2 LEU A 55 1.989 9.360 -6.132 1.00 0.00 C ATOM 0 H LEU A 55 -2.355 9.207 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.927 9.644 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.283 11.079 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.762 10.703 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 55 0.507 8.233 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.116 7.962 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.325 8.590 -6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.301 9.688 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.375 8.499 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.045 10.245 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.586 9.518 -5.234 1.00 0.00 H new ATOM 807 N LYS A 56 -2.176 11.702 -2.620 1.00 0.00 N ATOM 808 CA LYS A 56 -2.900 12.918 -2.271 1.00 0.00 C ATOM 809 C LYS A 56 -1.960 13.955 -1.663 1.00 0.00 C ATOM 810 O LYS A 56 -1.080 13.619 -0.872 1.00 0.00 O ATOM 811 CB LYS A 56 -4.029 12.600 -1.289 1.00 0.00 C ATOM 812 CG LYS A 56 -5.061 13.708 -1.168 1.00 0.00 C ATOM 813 CD LYS A 56 -5.888 13.565 0.098 1.00 0.00 C ATOM 814 CE LYS A 56 -6.513 14.889 0.509 1.00 0.00 C ATOM 815 NZ LYS A 56 -7.765 14.693 1.291 1.00 0.00 N ATOM 0 H LYS A 56 -1.796 11.194 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.327 13.332 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.527 11.684 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.600 12.406 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.559 14.675 -1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.719 13.690 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.672 12.825 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.257 13.193 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.799 15.458 1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.730 15.480 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.160 15.619 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.456 14.172 0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.554 14.151 2.153 1.00 0.00 H new ATOM 829 N GLN A 57 -2.155 15.215 -2.039 1.00 0.00 N ATOM 830 CA GLN A 57 -1.325 16.301 -1.529 1.00 0.00 C ATOM 831 C GLN A 57 -2.033 17.044 -0.401 1.00 0.00 C ATOM 832 O GLN A 57 -3.261 17.120 -0.370 1.00 0.00 O ATOM 833 CB GLN A 57 -0.973 17.274 -2.656 1.00 0.00 C ATOM 834 CG GLN A 57 -0.025 18.382 -2.228 1.00 0.00 C ATOM 835 CD GLN A 57 1.433 18.001 -2.397 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.750 16.914 -2.880 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.329 18.897 -2.001 1.00 0.00 N ATOM 0 H GLN A 57 -2.879 15.509 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.407 15.868 -1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.521 16.718 -3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.891 17.720 -3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.232 19.278 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.212 18.632 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.021 19.786 -1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.325 18.697 -2.092 1.00 0.00 H new ATOM 846 N ASP A 58 -1.250 17.590 0.523 1.00 0.00 N ATOM 847 CA ASP A 58 -1.802 18.329 1.653 1.00 0.00 C ATOM 848 C ASP A 58 -0.854 19.440 2.091 1.00 0.00 C ATOM 849 O ASP A 58 0.316 19.459 1.709 1.00 0.00 O ATOM 850 CB ASP A 58 -2.075 17.383 2.823 1.00 0.00 C ATOM 851 CG ASP A 58 -3.405 16.667 2.691 1.00 0.00 C ATOM 852 OD1 ASP A 58 -4.432 17.242 3.109 1.00 0.00 O ATOM 853 OD2 ASP A 58 -3.419 15.532 2.170 1.00 0.00 O ATOM 0 H ASP A 58 -0.232 17.535 0.512 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.741 18.782 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.274 16.646 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.061 17.949 3.755 1.00 0.00 H new ATOM 858 N GLY A 59 -1.366 20.366 2.896 1.00 0.00 N ATOM 859 CA GLY A 59 -0.552 21.468 3.372 1.00 0.00 C ATOM 860 C GLY A 59 0.813 21.016 3.854 1.00 0.00 C ATOM 861 O GLY A 59 0.931 20.379 4.901 1.00 0.00 O ATOM 0 H GLY A 59 -2.331 20.372 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.428 22.196 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.072 21.974 4.185 1.00 0.00 H new ATOM 865 N THR A 60 1.848 21.343 3.086 1.00 0.00 N ATOM 866 CA THR A 60 3.210 20.963 3.438 1.00 0.00 C ATOM 867 C THR A 60 3.276 19.511 3.896 1.00 0.00 C ATOM 868 O THR A 60 4.104 19.150 4.732 1.00 0.00 O ATOM 869 CB THR A 60 3.775 21.866 4.551 1.00 0.00 C ATOM 870 OG1 THR A 60 2.930 21.808 5.705 1.00 0.00 O ATOM 871 CG2 THR A 60 3.891 23.306 4.073 1.00 0.00 C ATOM 0 H THR A 60 1.768 21.870 2.216 1.00 0.00 H new ATOM 0 HA THR A 60 3.814 21.085 2.539 1.00 0.00 H new ATOM 0 HB THR A 60 4.770 21.505 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.371 21.005 5.661 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.292 23.925 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.558 23.351 3.212 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.906 23.675 3.788 1.00 0.00 H new ATOM 879 N ARG A 61 2.398 18.680 3.342 1.00 0.00 N ATOM 880 CA ARG A 61 2.356 17.266 3.694 1.00 0.00 C ATOM 881 C ARG A 61 1.838 16.431 2.527 1.00 0.00 C ATOM 882 O ARG A 61 1.096 16.925 1.678 1.00 0.00 O ATOM 883 CB ARG A 61 1.471 17.051 4.923 1.00 0.00 C ATOM 884 CG ARG A 61 2.221 17.160 6.240 1.00 0.00 C ATOM 885 CD ARG A 61 1.275 17.438 7.398 1.00 0.00 C ATOM 886 NE ARG A 61 1.975 17.983 8.558 1.00 0.00 N ATOM 887 CZ ARG A 61 1.437 18.065 9.770 1.00 0.00 C ATOM 888 NH1 ARG A 61 0.200 17.639 9.979 1.00 0.00 N ATOM 889 NH2 ARG A 61 2.138 18.575 10.775 1.00 0.00 N ATOM 0 H ARG A 61 1.706 18.962 2.648 1.00 0.00 H new ATOM 0 HA ARG A 61 3.371 16.944 3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.664 17.784 4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.008 16.066 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.766 16.235 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.961 17.957 6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.505 18.140 7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.768 16.516 7.681 1.00 0.00 H new ATOM 0 HE ARG A 61 2.930 18.319 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.341 17.247 9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.211 17.703 10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.090 18.904 10.617 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.724 18.638 11.705 1.00 0.00 H new ATOM 903 N CYS A 62 2.233 15.163 2.493 1.00 0.00 N ATOM 904 CA CYS A 62 1.810 14.259 1.430 1.00 0.00 C ATOM 905 C CYS A 62 1.465 12.883 1.991 1.00 0.00 C ATOM 906 O CYS A 62 2.006 12.467 3.016 1.00 0.00 O ATOM 907 CB CYS A 62 2.908 14.131 0.373 1.00 0.00 C ATOM 908 SG CYS A 62 3.623 15.709 -0.143 1.00 0.00 S ATOM 0 H CYS A 62 2.845 14.738 3.189 1.00 0.00 H new ATOM 0 HA CYS A 62 0.916 14.677 0.966 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.702 13.495 0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.498 13.627 -0.502 1.00 0.00 H new ATOM 0 HG CYS A 62 4.911 15.679 0.029 1.00 0.00 H new ATOM 914 N GLU A 63 0.561 12.183 1.314 1.00 0.00 N ATOM 915 CA GLU A 63 0.142 10.855 1.748 1.00 0.00 C ATOM 916 C GLU A 63 -0.059 9.930 0.551 1.00 0.00 C ATOM 917 O GLU A 63 -1.023 10.070 -0.202 1.00 0.00 O ATOM 918 CB GLU A 63 -1.152 10.944 2.560 1.00 0.00 C ATOM 919 CG GLU A 63 -1.707 9.590 2.971 1.00 0.00 C ATOM 920 CD GLU A 63 -2.902 9.706 3.896 1.00 0.00 C ATOM 921 OE1 GLU A 63 -4.027 9.906 3.391 1.00 0.00 O ATOM 922 OE2 GLU A 63 -2.713 9.596 5.126 1.00 0.00 O ATOM 0 H GLU A 63 0.105 12.513 0.463 1.00 0.00 H new ATOM 0 HA GLU A 63 0.930 10.441 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.969 11.539 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.904 11.472 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.995 9.034 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.924 9.015 3.466 1.00 0.00 H new ATOM 929 N LEU A 64 0.859 8.984 0.382 1.00 0.00 N ATOM 930 CA LEU A 64 0.784 8.035 -0.724 1.00 0.00 C ATOM 931 C LEU A 64 0.169 6.716 -0.268 1.00 0.00 C ATOM 932 O LEU A 64 0.379 6.281 0.864 1.00 0.00 O ATOM 933 CB LEU A 64 2.178 7.787 -1.304 1.00 0.00 C ATOM 934 CG LEU A 64 2.319 6.566 -2.212 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.505 6.749 -3.484 1.00 0.00 C ATOM 936 CD2 LEU A 64 3.783 6.315 -2.546 1.00 0.00 C ATOM 0 H LEU A 64 1.663 8.854 0.996 1.00 0.00 H new ATOM 0 HA LEU A 64 0.146 8.464 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.478 8.671 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.881 7.683 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 64 1.934 5.696 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.618 5.870 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.454 6.879 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.859 7.630 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.864 5.442 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.194 7.185 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.341 6.138 -1.626 1.00 0.00 H new ATOM 948 N GLN A 65 -0.589 6.084 -1.158 1.00 0.00 N ATOM 949 CA GLN A 65 -1.233 4.813 -0.847 1.00 0.00 C ATOM 950 C GLN A 65 -0.987 3.793 -1.953 1.00 0.00 C ATOM 951 O GLN A 65 -0.991 4.133 -3.137 1.00 0.00 O ATOM 952 CB GLN A 65 -2.736 5.015 -0.648 1.00 0.00 C ATOM 953 CG GLN A 65 -3.122 5.342 0.786 1.00 0.00 C ATOM 954 CD GLN A 65 -4.584 5.064 1.075 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.471 5.556 0.377 1.00 0.00 O ATOM 956 NE2 GLN A 65 -4.843 4.272 2.109 1.00 0.00 N ATOM 0 H GLN A 65 -0.772 6.431 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.799 4.431 0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.075 5.820 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.260 4.111 -0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.503 4.757 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.910 6.392 0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.077 3.886 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.808 4.050 2.352 1.00 0.00 H new ATOM 965 N ILE A 66 -0.772 2.542 -1.560 1.00 0.00 N ATOM 966 CA ILE A 66 -0.525 1.472 -2.519 1.00 0.00 C ATOM 967 C ILE A 66 -1.563 0.363 -2.385 1.00 0.00 C ATOM 968 O ILE A 66 -1.371 -0.594 -1.634 1.00 0.00 O ATOM 969 CB ILE A 66 0.881 0.869 -2.340 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.944 1.967 -2.419 1.00 0.00 C ATOM 971 CG2 ILE A 66 1.137 -0.200 -3.392 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.213 1.635 -1.665 1.00 0.00 C ATOM 0 H ILE A 66 -0.764 2.244 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.597 1.915 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 66 0.938 0.404 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.190 2.149 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.528 2.894 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.135 -0.617 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.396 -0.993 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.065 0.242 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.921 2.458 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.981 1.482 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.653 0.726 -2.075 1.00 0.00 H new ATOM 984 N HIS A 67 -2.662 0.496 -3.120 1.00 0.00 N ATOM 985 CA HIS A 67 -3.730 -0.496 -3.085 1.00 0.00 C ATOM 986 C HIS A 67 -3.250 -1.831 -3.649 1.00 0.00 C ATOM 987 O HIS A 67 -2.348 -1.874 -4.485 1.00 0.00 O ATOM 988 CB HIS A 67 -4.941 -0.002 -3.877 1.00 0.00 C ATOM 989 CG HIS A 67 -5.453 1.329 -3.418 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.628 1.481 -2.711 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.943 2.574 -3.568 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.818 2.761 -2.447 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.809 3.446 -2.956 1.00 0.00 N ATOM 0 H HIS A 67 -2.836 1.281 -3.747 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.021 -0.643 -2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.673 0.065 -4.931 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.742 -0.737 -3.798 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.252 0.723 -2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.025 2.833 -4.075 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.656 3.177 -1.907 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.858 -2.916 -3.184 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.493 -4.252 -3.642 1.00 0.00 C ATOM 1004 C ASP A 68 -1.992 -4.483 -3.501 1.00 0.00 C ATOM 1005 O ASP A 68 -1.313 -4.830 -4.468 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.918 -4.449 -5.098 1.00 0.00 C ATOM 1007 CG ASP A 68 -5.373 -4.856 -5.226 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -5.858 -5.610 -4.356 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -6.027 -4.420 -6.197 1.00 0.00 O ATOM 0 H ASP A 68 -4.606 -2.897 -2.490 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.014 -4.978 -3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.753 -3.524 -5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.289 -5.211 -5.557 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.480 -4.288 -2.291 1.00 0.00 N ATOM 1015 CA LEU A 69 -0.058 -4.474 -2.023 1.00 0.00 C ATOM 1016 C LEU A 69 0.408 -5.851 -2.485 1.00 0.00 C ATOM 1017 O LEU A 69 -0.403 -6.698 -2.860 1.00 0.00 O ATOM 1018 CB LEU A 69 0.227 -4.301 -0.530 1.00 0.00 C ATOM 1019 CG LEU A 69 0.566 -2.882 -0.071 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.653 -2.819 1.446 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.869 -2.414 -0.703 1.00 0.00 C ATOM 0 H LEU A 69 -2.028 -4.001 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 69 0.493 -3.718 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.645 -4.643 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.055 -4.956 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.232 -2.214 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.895 -1.802 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.304 -3.111 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.431 -3.499 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.095 -1.402 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.677 -3.084 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.770 -2.420 -1.788 1.00 0.00 H new ATOM 1033 N SER A 70 1.719 -6.069 -2.454 1.00 0.00 N ATOM 1034 CA SER A 70 2.292 -7.343 -2.871 1.00 0.00 C ATOM 1035 C SER A 70 3.759 -7.438 -2.460 1.00 0.00 C ATOM 1036 O SER A 70 4.388 -6.435 -2.123 1.00 0.00 O ATOM 1037 CB SER A 70 2.163 -7.513 -4.385 1.00 0.00 C ATOM 1038 OG SER A 70 2.811 -8.695 -4.823 1.00 0.00 O ATOM 0 H SER A 70 2.404 -5.380 -2.144 1.00 0.00 H new ATOM 0 HA SER A 70 1.741 -8.142 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.109 -7.549 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.596 -6.649 -4.889 1.00 0.00 H new ATOM 0 HG SER A 70 2.712 -8.781 -5.794 1.00 0.00 H new ATOM 1044 N VAL A 71 4.298 -8.653 -2.492 1.00 0.00 N ATOM 1045 CA VAL A 71 5.690 -8.882 -2.124 1.00 0.00 C ATOM 1046 C VAL A 71 6.637 -8.273 -3.153 1.00 0.00 C ATOM 1047 O VAL A 71 7.812 -8.043 -2.870 1.00 0.00 O ATOM 1048 CB VAL A 71 5.995 -10.385 -1.989 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.472 -10.919 -0.664 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.399 -11.157 -3.157 1.00 0.00 C ATOM 0 H VAL A 71 3.791 -9.494 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 71 5.846 -8.399 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 71 7.076 -10.522 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.697 -11.983 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.951 -10.386 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.393 -10.771 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.624 -12.218 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.318 -11.015 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.827 -10.792 -4.091 1.00 0.00 H new ATOM 1060 N ALA A 72 6.116 -8.013 -4.347 1.00 0.00 N ATOM 1061 CA ALA A 72 6.914 -7.428 -5.418 1.00 0.00 C ATOM 1062 C ALA A 72 6.974 -5.909 -5.291 1.00 0.00 C ATOM 1063 O ALA A 72 7.908 -5.272 -5.778 1.00 0.00 O ATOM 1064 CB ALA A 72 6.349 -7.824 -6.774 1.00 0.00 C ATOM 0 H ALA A 72 5.145 -8.198 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 72 7.930 -7.814 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.955 -7.380 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.364 -8.910 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.323 -7.466 -6.859 1.00 0.00 H new ATOM 1070 N ASP A 73 5.971 -5.335 -4.634 1.00 0.00 N ATOM 1071 CA ASP A 73 5.910 -3.891 -4.443 1.00 0.00 C ATOM 1072 C ASP A 73 6.834 -3.453 -3.311 1.00 0.00 C ATOM 1073 O ASP A 73 7.285 -2.309 -3.272 1.00 0.00 O ATOM 1074 CB ASP A 73 4.475 -3.455 -4.144 1.00 0.00 C ATOM 1075 CG ASP A 73 3.649 -3.281 -5.404 1.00 0.00 C ATOM 1076 OD1 ASP A 73 3.819 -2.249 -6.087 1.00 0.00 O ATOM 1077 OD2 ASP A 73 2.833 -4.176 -5.706 1.00 0.00 O ATOM 0 H ASP A 73 5.190 -5.848 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 73 6.242 -3.413 -5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.000 -4.196 -3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.491 -2.516 -3.591 1.00 0.00 H new ATOM 1082 N ALA A 74 7.110 -4.372 -2.391 1.00 0.00 N ATOM 1083 CA ALA A 74 7.981 -4.081 -1.258 1.00 0.00 C ATOM 1084 C ALA A 74 9.393 -3.744 -1.724 1.00 0.00 C ATOM 1085 O ALA A 74 10.170 -4.631 -2.074 1.00 0.00 O ATOM 1086 CB ALA A 74 8.007 -5.259 -0.296 1.00 0.00 C ATOM 0 H ALA A 74 6.743 -5.324 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 74 7.581 -3.211 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.661 -5.028 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.999 -5.452 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.380 -6.143 -0.813 1.00 0.00 H new ATOM 1092 N GLY A 75 9.719 -2.455 -1.726 1.00 0.00 N ATOM 1093 CA GLY A 75 11.038 -2.024 -2.151 1.00 0.00 C ATOM 1094 C GLY A 75 11.451 -0.710 -1.519 1.00 0.00 C ATOM 1095 O GLY A 75 11.506 -0.593 -0.295 1.00 0.00 O ATOM 0 H GLY A 75 9.093 -1.702 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.768 -2.792 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.051 -1.922 -3.236 1.00 0.00 H new ATOM 1099 N GLU A 76 11.742 0.282 -2.355 1.00 0.00 N ATOM 1100 CA GLU A 76 12.155 1.594 -1.869 1.00 0.00 C ATOM 1101 C GLU A 76 11.487 2.706 -2.673 1.00 0.00 C ATOM 1102 O GLU A 76 11.818 2.930 -3.837 1.00 0.00 O ATOM 1103 CB GLU A 76 13.676 1.736 -1.947 1.00 0.00 C ATOM 1104 CG GLU A 76 14.204 3.002 -1.293 1.00 0.00 C ATOM 1105 CD GLU A 76 15.718 3.076 -1.302 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.358 2.208 -0.672 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.263 4.001 -1.940 1.00 0.00 O ATOM 0 H GLU A 76 11.700 0.202 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 76 11.843 1.683 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.138 0.871 -1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.980 1.724 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.799 3.871 -1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.848 3.050 -0.264 1.00 0.00 H new ATOM 1114 N TYR A 77 10.545 3.399 -2.043 1.00 0.00 N ATOM 1115 CA TYR A 77 9.828 4.485 -2.698 1.00 0.00 C ATOM 1116 C TYR A 77 10.417 5.838 -2.312 1.00 0.00 C ATOM 1117 O TYR A 77 10.455 6.198 -1.135 1.00 0.00 O ATOM 1118 CB TYR A 77 8.343 4.440 -2.332 1.00 0.00 C ATOM 1119 CG TYR A 77 7.623 3.225 -2.873 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.786 1.977 -2.284 1.00 0.00 C ATOM 1121 CD2 TYR A 77 6.781 3.326 -3.973 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.130 0.865 -2.775 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.120 2.219 -4.470 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.298 0.991 -3.868 1.00 0.00 C ATOM 1125 OH TYR A 77 5.643 -0.114 -4.361 1.00 0.00 O ATOM 0 H TYR A 77 10.260 3.227 -1.079 1.00 0.00 H new ATOM 0 HA TYR A 77 9.933 4.357 -3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.244 4.457 -1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.857 5.339 -2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.437 1.875 -1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.641 4.286 -4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.268 -0.098 -2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.468 2.315 -5.325 1.00 0.00 H new ATOM 0 HH TYR A 77 6.103 -0.927 -4.063 1.00 0.00 H new ATOM 1135 N SER A 78 10.876 6.584 -3.312 1.00 0.00 N ATOM 1136 CA SER A 78 11.466 7.897 -3.078 1.00 0.00 C ATOM 1137 C SER A 78 10.593 8.999 -3.671 1.00 0.00 C ATOM 1138 O SER A 78 9.958 8.812 -4.709 1.00 0.00 O ATOM 1139 CB SER A 78 12.870 7.963 -3.683 1.00 0.00 C ATOM 1140 OG SER A 78 13.667 6.877 -3.242 1.00 0.00 O ATOM 0 H SER A 78 10.851 6.302 -4.292 1.00 0.00 H new ATOM 0 HA SER A 78 11.534 8.051 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.802 7.950 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.345 8.904 -3.405 1.00 0.00 H new ATOM 0 HG SER A 78 14.558 6.941 -3.644 1.00 0.00 H new ATOM 1146 N CYS A 79 10.568 10.147 -3.004 1.00 0.00 N ATOM 1147 CA CYS A 79 9.772 11.281 -3.463 1.00 0.00 C ATOM 1148 C CYS A 79 10.659 12.488 -3.745 1.00 0.00 C ATOM 1149 O CYS A 79 11.370 12.969 -2.863 1.00 0.00 O ATOM 1150 CB CYS A 79 8.714 11.643 -2.420 1.00 0.00 C ATOM 1151 SG CYS A 79 7.461 12.804 -3.013 1.00 0.00 S ATOM 0 H CYS A 79 11.089 10.318 -2.144 1.00 0.00 H new ATOM 0 HA CYS A 79 9.275 10.994 -4.390 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.220 10.730 -2.087 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.209 12.073 -1.549 1.00 0.00 H new ATOM 0 HG CYS A 79 7.437 12.790 -4.313 1.00 0.00 H new ATOM 1157 N MET A 80 10.614 12.973 -4.982 1.00 0.00 N ATOM 1158 CA MET A 80 11.414 14.125 -5.381 1.00 0.00 C ATOM 1159 C MET A 80 10.600 15.412 -5.286 1.00 0.00 C ATOM 1160 O MET A 80 9.551 15.541 -5.917 1.00 0.00 O ATOM 1161 CB MET A 80 11.935 13.942 -6.808 1.00 0.00 C ATOM 1162 CG MET A 80 12.687 12.637 -7.017 1.00 0.00 C ATOM 1163 SD MET A 80 11.585 11.240 -7.308 1.00 0.00 S ATOM 1164 CE MET A 80 12.560 9.894 -6.639 1.00 0.00 C ATOM 0 H MET A 80 10.032 12.586 -5.725 1.00 0.00 H new ATOM 0 HA MET A 80 12.261 14.201 -4.699 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.095 13.983 -7.501 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.593 14.775 -7.056 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.364 12.744 -7.865 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.303 12.433 -6.141 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.903 9.180 -6.142 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.093 9.394 -7.448 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.278 10.287 -5.919 1.00 0.00 H new ATOM 1174 N CYS A 81 11.090 16.359 -4.494 1.00 0.00 N ATOM 1175 CA CYS A 81 10.407 17.635 -4.316 1.00 0.00 C ATOM 1176 C CYS A 81 11.386 18.798 -4.443 1.00 0.00 C ATOM 1177 O CYS A 81 12.059 19.165 -3.481 1.00 0.00 O ATOM 1178 CB CYS A 81 9.717 17.682 -2.952 1.00 0.00 C ATOM 1179 SG CYS A 81 8.914 19.260 -2.584 1.00 0.00 S ATOM 0 H CYS A 81 11.957 16.267 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 81 9.655 17.729 -5.100 1.00 0.00 H new ATOM 0 HB2 CYS A 81 8.972 16.888 -2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 81 10.454 17.472 -2.177 1.00 0.00 H new ATOM 0 HG CYS A 81 8.006 19.505 -3.482 1.00 0.00 H new ATOM 1185 N GLY A 82 11.461 19.373 -5.640 1.00 0.00 N ATOM 1186 CA GLY A 82 12.361 20.487 -5.873 1.00 0.00 C ATOM 1187 C GLY A 82 13.776 20.036 -6.176 1.00 0.00 C ATOM 1188 O GLY A 82 14.064 19.580 -7.282 1.00 0.00 O ATOM 0 H GLY A 82 10.914 19.087 -6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.987 21.084 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.369 21.133 -4.995 1.00 0.00 H new ATOM 1192 N GLN A 83 14.660 20.164 -5.192 1.00 0.00 N ATOM 1193 CA GLN A 83 16.053 19.767 -5.362 1.00 0.00 C ATOM 1194 C GLN A 83 16.423 18.650 -4.391 1.00 0.00 C ATOM 1195 O GLN A 83 17.402 17.935 -4.598 1.00 0.00 O ATOM 1196 CB GLN A 83 16.977 20.968 -5.151 1.00 0.00 C ATOM 1197 CG GLN A 83 17.190 21.799 -6.407 1.00 0.00 C ATOM 1198 CD GLN A 83 16.072 22.795 -6.644 1.00 0.00 C ATOM 1199 OE1 GLN A 83 15.228 23.017 -5.776 1.00 0.00 O ATOM 1200 NE2 GLN A 83 16.062 23.403 -7.824 1.00 0.00 N ATOM 0 H GLN A 83 14.437 20.539 -4.270 1.00 0.00 H new ATOM 0 HA GLN A 83 16.177 19.396 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.560 21.604 -4.371 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.943 20.614 -4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.137 22.333 -6.328 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.269 21.135 -7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 83 16.782 23.188 -8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 83 15.335 24.085 -8.040 1.00 0.00 H new ATOM 1209 N GLU A 84 15.633 18.508 -3.331 1.00 0.00 N ATOM 1210 CA GLU A 84 15.879 17.479 -2.328 1.00 0.00 C ATOM 1211 C GLU A 84 15.200 16.168 -2.716 1.00 0.00 C ATOM 1212 O GLU A 84 14.501 16.094 -3.726 1.00 0.00 O ATOM 1213 CB GLU A 84 15.378 17.940 -0.958 1.00 0.00 C ATOM 1214 CG GLU A 84 16.375 18.802 -0.203 1.00 0.00 C ATOM 1215 CD GLU A 84 17.667 18.069 0.100 1.00 0.00 C ATOM 1216 OE1 GLU A 84 18.564 18.060 -0.769 1.00 0.00 O ATOM 1217 OE2 GLU A 84 17.781 17.503 1.208 1.00 0.00 O ATOM 0 H GLU A 84 14.818 19.092 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 84 16.954 17.309 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.452 18.500 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.138 17.064 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.596 19.694 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.925 19.139 0.731 1.00 0.00 H new ATOM 1224 N ARG A 85 15.413 15.136 -1.906 1.00 0.00 N ATOM 1225 CA ARG A 85 14.824 13.828 -2.164 1.00 0.00 C ATOM 1226 C ARG A 85 14.909 12.939 -0.926 1.00 0.00 C ATOM 1227 O ARG A 85 15.856 13.034 -0.144 1.00 0.00 O ATOM 1228 CB ARG A 85 15.529 13.151 -3.340 1.00 0.00 C ATOM 1229 CG ARG A 85 15.108 11.706 -3.554 1.00 0.00 C ATOM 1230 CD ARG A 85 16.169 10.922 -4.308 1.00 0.00 C ATOM 1231 NE ARG A 85 17.232 10.448 -3.425 1.00 0.00 N ATOM 1232 CZ ARG A 85 18.407 10.008 -3.860 1.00 0.00 C ATOM 1233 NH1 ARG A 85 18.670 9.981 -5.159 1.00 0.00 N ATOM 1234 NH2 ARG A 85 19.323 9.594 -2.994 1.00 0.00 N ATOM 0 H ARG A 85 15.989 15.181 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 85 13.773 13.974 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.327 13.718 -4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.606 13.186 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.922 11.234 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.170 11.678 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.705 10.071 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.599 11.551 -5.087 1.00 0.00 H new ATOM 0 HE ARG A 85 17.062 10.455 -2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.969 10.299 -5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.574 9.642 -5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.125 9.614 -1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.225 9.256 -3.329 1.00 0.00 H new ATOM 1248 N THR A 86 13.913 12.076 -0.754 1.00 0.00 N ATOM 1249 CA THR A 86 13.875 11.172 0.388 1.00 0.00 C ATOM 1250 C THR A 86 13.314 9.810 -0.007 1.00 0.00 C ATOM 1251 O THR A 86 12.552 9.697 -0.967 1.00 0.00 O ATOM 1252 CB THR A 86 13.025 11.751 1.534 1.00 0.00 C ATOM 1253 OG1 THR A 86 13.270 11.023 2.743 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.543 11.692 1.193 1.00 0.00 C ATOM 0 H THR A 86 13.122 11.984 -1.391 1.00 0.00 H new ATOM 0 HA THR A 86 14.903 11.053 0.731 1.00 0.00 H new ATOM 0 HB THR A 86 13.308 12.794 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.620 11.632 3.426 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.963 12.107 2.018 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.354 12.271 0.289 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.249 10.656 1.027 1.00 0.00 H new ATOM 1262 N SER A 87 13.696 8.779 0.740 1.00 0.00 N ATOM 1263 CA SER A 87 13.233 7.424 0.465 1.00 0.00 C ATOM 1264 C SER A 87 12.825 6.717 1.755 1.00 0.00 C ATOM 1265 O SER A 87 13.460 6.886 2.795 1.00 0.00 O ATOM 1266 CB SER A 87 14.326 6.623 -0.245 1.00 0.00 C ATOM 1267 OG SER A 87 15.499 6.548 0.547 1.00 0.00 O ATOM 0 H SER A 87 14.324 8.856 1.540 1.00 0.00 H new ATOM 0 HA SER A 87 12.360 7.490 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.963 5.618 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.559 7.089 -1.202 1.00 0.00 H new ATOM 0 HG SER A 87 16.182 6.030 0.072 1.00 0.00 H new ATOM 1273 N ALA A 88 11.761 5.925 1.676 1.00 0.00 N ATOM 1274 CA ALA A 88 11.268 5.191 2.835 1.00 0.00 C ATOM 1275 C ALA A 88 10.955 3.742 2.475 1.00 0.00 C ATOM 1276 O ALA A 88 9.875 3.437 1.969 1.00 0.00 O ATOM 1277 CB ALA A 88 10.035 5.873 3.407 1.00 0.00 C ATOM 0 H ALA A 88 11.224 5.775 0.822 1.00 0.00 H new ATOM 0 HA ALA A 88 12.052 5.189 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.678 5.314 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.289 6.888 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.253 5.906 2.649 1.00 0.00 H new ATOM 1283 N THR A 89 11.907 2.852 2.738 1.00 0.00 N ATOM 1284 CA THR A 89 11.733 1.436 2.440 1.00 0.00 C ATOM 1285 C THR A 89 10.417 0.913 3.005 1.00 0.00 C ATOM 1286 O THR A 89 10.184 0.966 4.214 1.00 0.00 O ATOM 1287 CB THR A 89 12.893 0.596 3.008 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.101 0.884 2.295 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.582 -0.890 2.911 1.00 0.00 C ATOM 0 H THR A 89 12.807 3.087 3.157 1.00 0.00 H new ATOM 0 HA THR A 89 11.722 1.340 1.354 1.00 0.00 H new ATOM 0 HB THR A 89 13.021 0.856 4.059 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.834 0.348 2.663 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.415 -1.463 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.678 -1.110 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.430 -1.162 1.867 1.00 0.00 H new ATOM 1297 N LEU A 90 9.561 0.407 2.125 1.00 0.00 N ATOM 1298 CA LEU A 90 8.267 -0.127 2.536 1.00 0.00 C ATOM 1299 C LEU A 90 8.381 -1.602 2.908 1.00 0.00 C ATOM 1300 O LEU A 90 9.204 -2.332 2.355 1.00 0.00 O ATOM 1301 CB LEU A 90 7.240 0.051 1.417 1.00 0.00 C ATOM 1302 CG LEU A 90 5.937 -0.733 1.571 1.00 0.00 C ATOM 1303 CD1 LEU A 90 4.909 0.084 2.338 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.391 -1.134 0.208 1.00 0.00 C ATOM 0 H LEU A 90 9.739 0.355 1.122 1.00 0.00 H new ATOM 0 HA LEU A 90 7.936 0.426 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.996 1.111 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.705 -0.238 0.475 1.00 0.00 H new ATOM 0 HG LEU A 90 6.147 -1.640 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.988 -0.491 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.298 0.321 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.703 1.009 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.463 -1.691 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.198 -0.239 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.121 -1.759 -0.307 1.00 0.00 H new ATOM 1316 N THR A 91 7.546 -2.036 3.847 1.00 0.00 N ATOM 1317 CA THR A 91 7.552 -3.424 4.292 1.00 0.00 C ATOM 1318 C THR A 91 6.282 -4.146 3.857 1.00 0.00 C ATOM 1319 O THR A 91 5.173 -3.652 4.061 1.00 0.00 O ATOM 1320 CB THR A 91 7.685 -3.523 5.824 1.00 0.00 C ATOM 1321 OG1 THR A 91 8.907 -2.910 6.249 1.00 0.00 O ATOM 1322 CG2 THR A 91 7.655 -4.975 6.277 1.00 0.00 C ATOM 0 H THR A 91 6.857 -1.446 4.314 1.00 0.00 H new ATOM 0 HA THR A 91 8.416 -3.900 3.828 1.00 0.00 H new ATOM 0 HB THR A 91 6.841 -3.001 6.275 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.984 -2.975 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.750 -5.020 7.362 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.711 -5.430 5.977 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.482 -5.517 5.817 1.00 0.00 H new ATOM 1330 N VAL A 92 6.451 -5.320 3.255 1.00 0.00 N ATOM 1331 CA VAL A 92 5.317 -6.111 2.792 1.00 0.00 C ATOM 1332 C VAL A 92 5.389 -7.538 3.325 1.00 0.00 C ATOM 1333 O VAL A 92 6.389 -8.232 3.137 1.00 0.00 O ATOM 1334 CB VAL A 92 5.252 -6.152 1.254 1.00 0.00 C ATOM 1335 CG1 VAL A 92 4.051 -6.963 0.791 1.00 0.00 C ATOM 1336 CG2 VAL A 92 5.205 -4.742 0.686 1.00 0.00 C ATOM 0 H VAL A 92 7.362 -5.743 3.077 1.00 0.00 H new ATOM 0 HA VAL A 92 4.417 -5.628 3.173 1.00 0.00 H new ATOM 0 HB VAL A 92 6.153 -6.639 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.022 -6.981 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.133 -7.982 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.136 -6.508 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.159 -4.789 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.322 -4.227 1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.100 -4.198 0.988 1.00 0.00 H new ATOM 1346 N ARG A 93 4.322 -7.971 3.989 1.00 0.00 N ATOM 1347 CA ARG A 93 4.265 -9.315 4.549 1.00 0.00 C ATOM 1348 C ARG A 93 3.525 -10.264 3.611 1.00 0.00 C ATOM 1349 O ARG A 93 2.402 -9.987 3.190 1.00 0.00 O ATOM 1350 CB ARG A 93 3.576 -9.292 5.915 1.00 0.00 C ATOM 1351 CG ARG A 93 4.410 -8.640 7.006 1.00 0.00 C ATOM 1352 CD ARG A 93 4.021 -9.151 8.385 1.00 0.00 C ATOM 1353 NE ARG A 93 2.707 -8.667 8.798 1.00 0.00 N ATOM 1354 CZ ARG A 93 1.997 -9.215 9.778 1.00 0.00 C ATOM 1355 NH1 ARG A 93 2.473 -10.258 10.443 1.00 0.00 N ATOM 1356 NH2 ARG A 93 0.808 -8.717 10.096 1.00 0.00 N ATOM 0 H ARG A 93 3.486 -7.410 4.152 1.00 0.00 H new ATOM 0 HA ARG A 93 5.287 -9.675 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.629 -8.760 5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.340 -10.314 6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.466 -8.841 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.280 -7.558 6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.021 -10.241 8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.769 -8.835 9.113 1.00 0.00 H new ATOM 0 HE ARG A 93 2.313 -7.864 8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.387 -10.642 10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.925 -10.677 11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.439 -7.913 9.588 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.263 -9.138 10.849 1.00 0.00 H new ATOM 1370 N ALA A 94 4.163 -11.384 3.286 1.00 0.00 N ATOM 1371 CA ALA A 94 3.565 -12.374 2.399 1.00 0.00 C ATOM 1372 C ALA A 94 2.519 -13.207 3.132 1.00 0.00 C ATOM 1373 O ALA A 94 2.810 -13.829 4.154 1.00 0.00 O ATOM 1374 CB ALA A 94 4.642 -13.274 1.811 1.00 0.00 C ATOM 0 H ALA A 94 5.094 -11.628 3.624 1.00 0.00 H new ATOM 0 HA ALA A 94 3.066 -11.845 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.182 -14.009 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.351 -12.670 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.166 -13.788 2.617 1.00 0.00 H new ATOM 1380 N LEU A 95 1.300 -13.214 2.604 1.00 0.00 N ATOM 1381 CA LEU A 95 0.208 -13.970 3.209 1.00 0.00 C ATOM 1382 C LEU A 95 0.712 -15.293 3.777 1.00 0.00 C ATOM 1383 O LEU A 95 1.721 -15.843 3.336 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.890 -14.231 2.177 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.675 -13.006 1.707 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -3.085 -13.399 1.298 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.710 -11.945 2.798 1.00 0.00 C ATOM 0 H LEU A 95 1.043 -12.705 1.758 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.203 -13.377 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.437 -14.703 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.594 -14.949 2.599 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.171 -12.588 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.628 -12.514 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.039 -14.123 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.600 -13.843 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.273 -11.080 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.190 -12.353 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.692 -11.641 3.042 1.00 0.00 H new ATOM 1399 N PRO A 96 -0.007 -15.818 4.780 1.00 0.00 N ATOM 1400 CA PRO A 96 0.347 -17.084 5.429 1.00 0.00 C ATOM 1401 C PRO A 96 0.130 -18.285 4.514 1.00 0.00 C ATOM 1402 O PRO A 96 -0.730 -18.260 3.635 1.00 0.00 O ATOM 1403 CB PRO A 96 -0.604 -17.147 6.627 1.00 0.00 C ATOM 1404 CG PRO A 96 -1.772 -16.313 6.227 1.00 0.00 C ATOM 1405 CD PRO A 96 -1.221 -15.217 5.358 1.00 0.00 C ATOM 0 HA PRO A 96 1.402 -17.121 5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.904 -18.173 6.841 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.131 -16.759 7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.508 -16.907 5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.275 -15.901 7.102 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.931 -14.922 4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.990 -14.323 5.937 1.00 0.00 H new ATOM 1413 N ALA A 97 0.916 -19.335 4.728 1.00 0.00 N ATOM 1414 CA ALA A 97 0.808 -20.546 3.924 1.00 0.00 C ATOM 1415 C ALA A 97 -0.590 -21.146 4.021 1.00 0.00 C ATOM 1416 O ALA A 97 -1.254 -21.364 3.007 1.00 0.00 O ATOM 1417 CB ALA A 97 1.852 -21.564 4.360 1.00 0.00 C ATOM 0 H ALA A 97 1.634 -19.371 5.451 1.00 0.00 H new ATOM 0 HA ALA A 97 0.989 -20.279 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.760 -22.463 3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.848 -21.141 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.697 -21.818 5.408 1.00 0.00 H new ATOM 1423 N ARG A 98 -1.032 -21.412 5.246 1.00 0.00 N ATOM 1424 CA ARG A 98 -2.351 -21.989 5.474 1.00 0.00 C ATOM 1425 C ARG A 98 -3.378 -20.899 5.768 1.00 0.00 C ATOM 1426 O ARG A 98 -3.022 -19.774 6.119 1.00 0.00 O ATOM 1427 CB ARG A 98 -2.302 -22.985 6.634 1.00 0.00 C ATOM 1428 CG ARG A 98 -2.109 -22.329 7.992 1.00 0.00 C ATOM 1429 CD ARG A 98 -2.528 -23.256 9.122 1.00 0.00 C ATOM 1430 NE ARG A 98 -1.766 -23.009 10.343 1.00 0.00 N ATOM 1431 CZ ARG A 98 -0.565 -23.527 10.577 1.00 0.00 C ATOM 1432 NH1 ARG A 98 0.007 -24.315 9.678 1.00 0.00 N ATOM 1433 NH2 ARG A 98 0.066 -23.255 11.713 1.00 0.00 N ATOM 0 H ARG A 98 -0.496 -21.237 6.096 1.00 0.00 H new ATOM 0 HA ARG A 98 -2.652 -22.513 4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.227 -23.561 6.646 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.489 -23.691 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.063 -22.050 8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.692 -21.409 8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.591 -23.123 9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.390 -24.292 8.812 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.178 -22.406 11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.475 -24.525 8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.929 -24.711 9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.371 -22.648 12.407 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.988 -23.653 11.892 1.00 0.00 H new ATOM 1447 N PHE A 99 -4.654 -21.241 5.622 1.00 0.00 N ATOM 1448 CA PHE A 99 -5.733 -20.292 5.870 1.00 0.00 C ATOM 1449 C PHE A 99 -6.779 -20.889 6.807 1.00 0.00 C ATOM 1450 O PHE A 99 -7.769 -21.470 6.361 1.00 0.00 O ATOM 1451 CB PHE A 99 -6.390 -19.877 4.552 1.00 0.00 C ATOM 1452 CG PHE A 99 -7.511 -18.893 4.724 1.00 0.00 C ATOM 1453 CD1 PHE A 99 -7.245 -17.561 5.000 1.00 0.00 C ATOM 1454 CD2 PHE A 99 -8.831 -19.299 4.611 1.00 0.00 C ATOM 1455 CE1 PHE A 99 -8.275 -16.653 5.158 1.00 0.00 C ATOM 1456 CE2 PHE A 99 -9.864 -18.395 4.768 1.00 0.00 C ATOM 1457 CZ PHE A 99 -9.586 -17.071 5.044 1.00 0.00 C ATOM 0 H PHE A 99 -4.966 -22.168 5.333 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.304 -19.411 6.347 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.633 -19.442 3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.772 -20.766 4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.222 -17.229 5.093 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.055 -20.334 4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.055 -15.617 5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.888 -18.724 4.675 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.392 -16.364 5.170 1.00 0.00 H new ATOM 1467 N THR A 100 -6.551 -20.743 8.108 1.00 0.00 N ATOM 1468 CA THR A 100 -7.471 -21.270 9.109 1.00 0.00 C ATOM 1469 C THR A 100 -8.921 -21.080 8.676 1.00 0.00 C ATOM 1470 O THR A 100 -9.268 -20.071 8.064 1.00 0.00 O ATOM 1471 CB THR A 100 -7.262 -20.591 10.476 1.00 0.00 C ATOM 1472 OG1 THR A 100 -7.394 -19.172 10.344 1.00 0.00 O ATOM 1473 CG2 THR A 100 -5.891 -20.928 11.043 1.00 0.00 C ATOM 0 H THR A 100 -5.737 -20.264 8.494 1.00 0.00 H new ATOM 0 HA THR A 100 -7.259 -22.335 9.204 1.00 0.00 H new ATOM 0 HB THR A 100 -8.023 -20.963 11.162 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.261 -18.748 11.218 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.766 -20.438 12.008 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.805 -22.007 11.170 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.118 -20.581 10.357 1.00 0.00 H new ATOM 1481 N GLU A 101 -9.762 -22.057 9.000 1.00 0.00 N ATOM 1482 CA GLU A 101 -11.175 -21.996 8.643 1.00 0.00 C ATOM 1483 C GLU A 101 -11.977 -23.038 9.418 1.00 0.00 C ATOM 1484 O GLU A 101 -11.914 -24.231 9.124 1.00 0.00 O ATOM 1485 CB GLU A 101 -11.355 -22.213 7.140 1.00 0.00 C ATOM 1486 CG GLU A 101 -12.760 -21.916 6.645 1.00 0.00 C ATOM 1487 CD GLU A 101 -12.971 -22.332 5.202 1.00 0.00 C ATOM 1488 OE1 GLU A 101 -12.535 -21.587 4.300 1.00 0.00 O ATOM 1489 OE2 GLU A 101 -13.573 -23.403 4.976 1.00 0.00 O ATOM 0 H GLU A 101 -9.490 -22.899 9.508 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.547 -21.006 8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.649 -21.580 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.105 -23.246 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.481 -22.434 7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.958 -20.849 6.744 1.00 0.00 H new ATOM 1496 N GLY A 102 -12.731 -22.577 10.412 1.00 0.00 N ATOM 1497 CA GLY A 102 -13.534 -23.481 11.214 1.00 0.00 C ATOM 1498 C GLY A 102 -15.016 -23.171 11.129 1.00 0.00 C ATOM 1499 O GLY A 102 -15.549 -22.949 10.042 1.00 0.00 O ATOM 0 H GLY A 102 -12.800 -21.594 10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.361 -24.505 10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.213 -23.422 12.254 1.00 0.00 H new ATOM 1503 N SER A 103 -15.683 -23.158 12.279 1.00 0.00 N ATOM 1504 CA SER A 103 -17.113 -22.879 12.329 1.00 0.00 C ATOM 1505 C SER A 103 -17.369 -21.413 12.665 1.00 0.00 C ATOM 1506 O SER A 103 -16.439 -20.657 12.943 1.00 0.00 O ATOM 1507 CB SER A 103 -17.793 -23.777 13.365 1.00 0.00 C ATOM 1508 OG SER A 103 -17.699 -25.142 12.996 1.00 0.00 O ATOM 0 H SER A 103 -15.256 -23.337 13.188 1.00 0.00 H new ATOM 0 HA SER A 103 -17.533 -23.087 11.345 1.00 0.00 H new ATOM 0 HB2 SER A 103 -17.330 -23.628 14.340 1.00 0.00 H new ATOM 0 HB3 SER A 103 -18.841 -23.495 13.464 1.00 0.00 H new ATOM 0 HG SER A 103 -18.139 -25.695 13.675 1.00 0.00 H new ATOM 1514 N GLY A 104 -18.639 -21.019 12.637 1.00 0.00 N ATOM 1515 CA GLY A 104 -18.996 -19.645 12.939 1.00 0.00 C ATOM 1516 C GLY A 104 -19.165 -19.404 14.426 1.00 0.00 C ATOM 1517 O GLY A 104 -18.973 -20.300 15.248 1.00 0.00 O ATOM 0 H GLY A 104 -19.426 -21.627 12.411 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.225 -18.979 12.551 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -19.924 -19.392 12.425 1.00 0.00 H new ATOM 1521 N PRO A 105 -19.533 -18.167 14.791 1.00 0.00 N ATOM 1522 CA PRO A 105 -19.736 -17.782 16.190 1.00 0.00 C ATOM 1523 C PRO A 105 -20.973 -18.434 16.798 1.00 0.00 C ATOM 1524 O PRO A 105 -21.934 -18.742 16.093 1.00 0.00 O ATOM 1525 CB PRO A 105 -19.914 -16.263 16.118 1.00 0.00 C ATOM 1526 CG PRO A 105 -20.418 -16.006 14.740 1.00 0.00 C ATOM 1527 CD PRO A 105 -19.781 -17.049 13.864 1.00 0.00 C ATOM 0 HA PRO A 105 -18.907 -18.099 16.823 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -20.620 -15.911 16.870 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -18.972 -15.745 16.298 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -21.505 -16.076 14.703 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -20.152 -15.002 14.408 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -20.439 -17.343 13.046 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -18.856 -16.687 13.415 1.00 0.00 H new ATOM 1535 N SER A 106 -20.942 -18.643 18.110 1.00 0.00 N ATOM 1536 CA SER A 106 -22.060 -19.263 18.813 1.00 0.00 C ATOM 1537 C SER A 106 -22.665 -18.299 19.828 1.00 0.00 C ATOM 1538 O SER A 106 -23.875 -18.074 19.843 1.00 0.00 O ATOM 1539 CB SER A 106 -21.601 -20.541 19.516 1.00 0.00 C ATOM 1540 OG SER A 106 -22.638 -21.082 20.317 1.00 0.00 O ATOM 0 H SER A 106 -20.155 -18.392 18.708 1.00 0.00 H new ATOM 0 HA SER A 106 -22.825 -19.516 18.078 1.00 0.00 H new ATOM 0 HB2 SER A 106 -21.289 -21.276 18.774 1.00 0.00 H new ATOM 0 HB3 SER A 106 -20.732 -20.326 20.137 1.00 0.00 H new ATOM 0 HG SER A 106 -22.321 -21.899 20.755 1.00 0.00 H new ATOM 1546 N SER A 107 -21.813 -17.731 20.676 1.00 0.00 N ATOM 1547 CA SER A 107 -22.263 -16.793 21.699 1.00 0.00 C ATOM 1548 C SER A 107 -23.344 -15.868 21.149 1.00 0.00 C ATOM 1549 O SER A 107 -24.423 -15.744 21.726 1.00 0.00 O ATOM 1550 CB SER A 107 -21.084 -15.967 22.217 1.00 0.00 C ATOM 1551 OG SER A 107 -20.079 -16.802 22.766 1.00 0.00 O ATOM 0 H SER A 107 -20.808 -17.904 20.675 1.00 0.00 H new ATOM 0 HA SER A 107 -22.685 -17.367 22.524 1.00 0.00 H new ATOM 0 HB2 SER A 107 -20.665 -15.375 21.403 1.00 0.00 H new ATOM 0 HB3 SER A 107 -21.432 -15.265 22.975 1.00 0.00 H new ATOM 0 HG SER A 107 -19.336 -16.251 23.088 1.00 0.00 H new ATOM 1557 N GLY A 108 -23.045 -15.219 20.028 1.00 0.00 N ATOM 1558 CA GLY A 108 -24.000 -14.312 19.418 1.00 0.00 C ATOM 1559 C GLY A 108 -24.628 -13.369 20.425 1.00 0.00 C ATOM 1560 O GLY A 108 -24.973 -12.235 20.091 1.00 0.00 O ATOM 0 H GLY A 108 -22.158 -15.305 19.531 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -23.501 -13.731 18.643 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -24.784 -14.890 18.928 1.00 0.00 H new TER 1564 GLY A 108