USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=33 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.00886 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.546 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 13 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.37) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 130:sc= -0.719! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0.0381 (180deg=0.0381) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 30 CYS SG : rot 18:sc= -1.23 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.851) USER MOD Single : A 41 LYS NZ :NH3+ -148:sc= 1.34 (180deg=0.572) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 1.1 K(o=1.1,f=-0.039) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 9:sc= 0 USER MOD Single : A 70 SER OG : rot 38:sc= 1.18 USER MOD Single : A 77 TYR OH : rot -26:sc= -0.3 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00499 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0564 USER MOD Single : A 80 MET CE :methyl 158:sc= -6.52! (180deg=-7.54!) USER MOD Single : A 81 CYS SG : rot -71:sc= -2.99! USER MOD Single : A 83 GLN : amide:sc= -0.946 K(o=-0.95,f=-4.6!) USER MOD Single : A 86 THR OG1 : rot 150:sc= -0.0415 USER MOD Single : A 87 SER OG : rot 165:sc= 0.386 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 14.090 35.283 10.612 1.00 0.00 N ATOM 2 CA GLY A 1 15.003 34.736 9.626 1.00 0.00 C ATOM 3 C GLY A 1 14.660 35.170 8.215 1.00 0.00 C ATOM 4 O GLY A 1 14.244 36.307 7.992 1.00 0.00 O ATOM 0 H1 GLY A 1 14.633 35.692 11.399 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.507 36.024 10.172 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.474 34.526 10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.019 35.050 9.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.985 33.648 9.683 1.00 0.00 H new ATOM 8 N SER A 2 14.836 34.263 7.259 1.00 0.00 N ATOM 9 CA SER A 2 14.548 34.561 5.861 1.00 0.00 C ATOM 10 C SER A 2 13.368 33.732 5.361 1.00 0.00 C ATOM 11 O SER A 2 13.438 32.505 5.301 1.00 0.00 O ATOM 12 CB SER A 2 15.779 34.289 4.995 1.00 0.00 C ATOM 13 OG SER A 2 16.180 32.933 5.089 1.00 0.00 O ATOM 0 H SER A 2 15.176 33.316 7.427 1.00 0.00 H new ATOM 0 HA SER A 2 14.286 35.617 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.558 34.535 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.598 34.936 5.309 1.00 0.00 H new ATOM 0 HG SER A 2 15.389 32.364 5.191 1.00 0.00 H new ATOM 19 N SER A 3 12.283 34.413 5.005 1.00 0.00 N ATOM 20 CA SER A 3 11.086 33.742 4.514 1.00 0.00 C ATOM 21 C SER A 3 10.574 34.406 3.240 1.00 0.00 C ATOM 22 O SER A 3 10.273 33.735 2.254 1.00 0.00 O ATOM 23 CB SER A 3 9.993 33.755 5.584 1.00 0.00 C ATOM 24 OG SER A 3 10.348 32.937 6.686 1.00 0.00 O ATOM 0 H SER A 3 12.209 35.429 5.048 1.00 0.00 H new ATOM 0 HA SER A 3 11.348 32.709 4.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.825 34.777 5.925 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.055 33.404 5.154 1.00 0.00 H new ATOM 0 HG SER A 3 9.634 32.964 7.357 1.00 0.00 H new ATOM 30 N GLY A 4 10.477 35.732 3.269 1.00 0.00 N ATOM 31 CA GLY A 4 10.001 36.467 2.111 1.00 0.00 C ATOM 32 C GLY A 4 10.998 36.460 0.970 1.00 0.00 C ATOM 33 O GLY A 4 11.639 37.473 0.690 1.00 0.00 O ATOM 0 H GLY A 4 10.719 36.310 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.061 36.033 1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.791 37.497 2.399 1.00 0.00 H new ATOM 37 N SER A 5 11.131 35.314 0.310 1.00 0.00 N ATOM 38 CA SER A 5 12.062 35.177 -0.805 1.00 0.00 C ATOM 39 C SER A 5 11.809 33.881 -1.569 1.00 0.00 C ATOM 40 O SER A 5 11.876 32.790 -1.002 1.00 0.00 O ATOM 41 CB SER A 5 13.505 35.210 -0.298 1.00 0.00 C ATOM 42 OG SER A 5 14.423 35.282 -1.376 1.00 0.00 O ATOM 0 H SER A 5 10.606 34.467 0.528 1.00 0.00 H new ATOM 0 HA SER A 5 11.903 36.015 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.643 36.068 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.706 34.318 0.296 1.00 0.00 H new ATOM 0 HG SER A 5 15.338 35.304 -1.026 1.00 0.00 H new ATOM 48 N SER A 6 11.516 34.010 -2.859 1.00 0.00 N ATOM 49 CA SER A 6 11.249 32.850 -3.701 1.00 0.00 C ATOM 50 C SER A 6 12.299 31.765 -3.483 1.00 0.00 C ATOM 51 O SER A 6 13.427 32.050 -3.082 1.00 0.00 O ATOM 52 CB SER A 6 11.221 33.259 -5.175 1.00 0.00 C ATOM 53 OG SER A 6 12.458 33.824 -5.571 1.00 0.00 O ATOM 0 H SER A 6 11.458 34.906 -3.344 1.00 0.00 H new ATOM 0 HA SER A 6 10.275 32.448 -3.423 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.001 32.389 -5.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.419 33.979 -5.341 1.00 0.00 H new ATOM 0 HG SER A 6 12.415 34.075 -6.517 1.00 0.00 H new ATOM 59 N GLY A 7 11.919 30.519 -3.749 1.00 0.00 N ATOM 60 CA GLY A 7 12.839 29.410 -3.576 1.00 0.00 C ATOM 61 C GLY A 7 12.143 28.065 -3.639 1.00 0.00 C ATOM 62 O GLY A 7 10.946 27.948 -3.377 1.00 0.00 O ATOM 0 H GLY A 7 10.991 30.258 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.607 29.455 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.346 29.509 -2.616 1.00 0.00 H new ATOM 66 N PRO A 8 12.902 27.018 -3.995 1.00 0.00 N ATOM 67 CA PRO A 8 12.372 25.655 -4.101 1.00 0.00 C ATOM 68 C PRO A 8 12.020 25.063 -2.741 1.00 0.00 C ATOM 69 O PRO A 8 12.537 25.496 -1.712 1.00 0.00 O ATOM 70 CB PRO A 8 13.523 24.876 -4.742 1.00 0.00 C ATOM 71 CG PRO A 8 14.748 25.638 -4.373 1.00 0.00 C ATOM 72 CD PRO A 8 14.337 27.083 -4.320 1.00 0.00 C ATOM 0 HA PRO A 8 11.445 25.621 -4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.565 23.853 -4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.406 24.815 -5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.138 25.308 -3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.539 25.484 -5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.896 27.632 -3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.511 27.585 -5.271 1.00 0.00 H new ATOM 80 N ALA A 9 11.137 24.070 -2.744 1.00 0.00 N ATOM 81 CA ALA A 9 10.717 23.416 -1.510 1.00 0.00 C ATOM 82 C ALA A 9 11.612 22.223 -1.190 1.00 0.00 C ATOM 83 O ALA A 9 11.920 21.414 -2.065 1.00 0.00 O ATOM 84 CB ALA A 9 9.264 22.977 -1.613 1.00 0.00 C ATOM 0 H ALA A 9 10.698 23.700 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 9 10.810 24.135 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.964 22.490 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.632 23.848 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.153 22.278 -2.442 1.00 0.00 H new ATOM 90 N ARG A 10 12.025 22.120 0.069 1.00 0.00 N ATOM 91 CA ARG A 10 12.885 21.027 0.504 1.00 0.00 C ATOM 92 C ARG A 10 12.223 20.224 1.620 1.00 0.00 C ATOM 93 O ARG A 10 11.545 20.784 2.483 1.00 0.00 O ATOM 94 CB ARG A 10 14.233 21.569 0.983 1.00 0.00 C ATOM 95 CG ARG A 10 14.129 22.465 2.206 1.00 0.00 C ATOM 96 CD ARG A 10 15.500 22.926 2.677 1.00 0.00 C ATOM 97 NE ARG A 10 15.412 23.813 3.834 1.00 0.00 N ATOM 98 CZ ARG A 10 16.469 24.365 4.419 1.00 0.00 C ATOM 99 NH1 ARG A 10 17.688 24.123 3.958 1.00 0.00 N ATOM 100 NH2 ARG A 10 16.307 25.162 5.467 1.00 0.00 N ATOM 0 H ARG A 10 11.778 22.781 0.806 1.00 0.00 H new ATOM 0 HA ARG A 10 13.048 20.367 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.891 20.731 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.699 22.128 0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.513 23.333 1.971 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.628 21.927 3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 10 16.107 22.057 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.008 23.442 1.863 1.00 0.00 H new ATOM 0 HE ARG A 10 14.488 24.020 4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.816 23.511 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.498 24.548 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.370 25.351 5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.119 25.586 5.916 1.00 0.00 H new ATOM 114 N PHE A 11 12.422 18.911 1.596 1.00 0.00 N ATOM 115 CA PHE A 11 11.843 18.031 2.605 1.00 0.00 C ATOM 116 C PHE A 11 12.275 18.452 4.007 1.00 0.00 C ATOM 117 O PHE A 11 13.395 18.921 4.210 1.00 0.00 O ATOM 118 CB PHE A 11 12.257 16.581 2.346 1.00 0.00 C ATOM 119 CG PHE A 11 11.519 15.942 1.204 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.012 16.024 -0.089 1.00 0.00 C ATOM 121 CD2 PHE A 11 10.334 15.259 1.424 1.00 0.00 C ATOM 122 CE1 PHE A 11 11.334 15.438 -1.141 1.00 0.00 C ATOM 123 CE2 PHE A 11 9.653 14.670 0.375 1.00 0.00 C ATOM 124 CZ PHE A 11 10.154 14.759 -0.909 1.00 0.00 C ATOM 0 H PHE A 11 12.980 18.432 0.889 1.00 0.00 H new ATOM 0 HA PHE A 11 10.758 18.109 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.327 16.548 2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.088 15.996 3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.936 16.551 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.938 15.186 2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.727 15.511 -2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.730 14.141 0.559 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.624 14.299 -1.730 1.00 0.00 H new ATOM 134 N THR A 12 11.377 18.282 4.972 1.00 0.00 N ATOM 135 CA THR A 12 11.663 18.645 6.354 1.00 0.00 C ATOM 136 C THR A 12 11.610 17.425 7.266 1.00 0.00 C ATOM 137 O THR A 12 12.370 17.325 8.228 1.00 0.00 O ATOM 138 CB THR A 12 10.671 19.703 6.874 1.00 0.00 C ATOM 139 OG1 THR A 12 9.326 19.248 6.686 1.00 0.00 O ATOM 140 CG2 THR A 12 10.867 21.029 6.154 1.00 0.00 C ATOM 0 H THR A 12 10.445 17.895 4.822 1.00 0.00 H new ATOM 0 HA THR A 12 12.670 19.063 6.368 1.00 0.00 H new ATOM 0 HB THR A 12 10.859 19.853 7.937 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.702 19.925 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.156 21.760 6.538 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.882 21.388 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.704 20.890 5.085 1.00 0.00 H new ATOM 148 N GLN A 13 10.708 16.499 6.956 1.00 0.00 N ATOM 149 CA GLN A 13 10.557 15.285 7.749 1.00 0.00 C ATOM 150 C GLN A 13 10.815 14.045 6.900 1.00 0.00 C ATOM 151 O GLN A 13 9.995 13.672 6.061 1.00 0.00 O ATOM 152 CB GLN A 13 9.154 15.218 8.356 1.00 0.00 C ATOM 153 CG GLN A 13 9.052 15.872 9.725 1.00 0.00 C ATOM 154 CD GLN A 13 10.006 15.265 10.734 1.00 0.00 C ATOM 155 OE1 GLN A 13 11.019 15.869 11.090 1.00 0.00 O ATOM 156 NE2 GLN A 13 9.688 14.064 11.202 1.00 0.00 N ATOM 0 H GLN A 13 10.071 16.566 6.162 1.00 0.00 H new ATOM 0 HA GLN A 13 11.293 15.313 8.553 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.450 15.701 7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.852 14.174 8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.259 16.938 9.631 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.031 15.777 10.094 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.839 13.599 10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.293 13.606 11.884 1.00 0.00 H new ATOM 165 N ASP A 14 11.961 13.410 7.123 1.00 0.00 N ATOM 166 CA ASP A 14 12.328 12.210 6.378 1.00 0.00 C ATOM 167 C ASP A 14 11.100 11.350 6.095 1.00 0.00 C ATOM 168 O ASP A 14 10.369 10.971 7.012 1.00 0.00 O ATOM 169 CB ASP A 14 13.366 11.400 7.156 1.00 0.00 C ATOM 170 CG ASP A 14 13.037 11.302 8.632 1.00 0.00 C ATOM 171 OD1 ASP A 14 13.212 12.312 9.346 1.00 0.00 O ATOM 172 OD2 ASP A 14 12.607 10.216 9.074 1.00 0.00 O ATOM 0 H ASP A 14 12.651 13.706 7.813 1.00 0.00 H new ATOM 0 HA ASP A 14 12.759 12.520 5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.431 10.397 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.347 11.860 7.035 1.00 0.00 H new ATOM 177 N LEU A 15 10.879 11.045 4.821 1.00 0.00 N ATOM 178 CA LEU A 15 9.739 10.229 4.417 1.00 0.00 C ATOM 179 C LEU A 15 9.731 8.897 5.160 1.00 0.00 C ATOM 180 O LEU A 15 10.768 8.249 5.306 1.00 0.00 O ATOM 181 CB LEU A 15 9.773 9.984 2.907 1.00 0.00 C ATOM 182 CG LEU A 15 9.042 8.735 2.414 1.00 0.00 C ATOM 183 CD1 LEU A 15 7.544 8.869 2.639 1.00 0.00 C ATOM 184 CD2 LEU A 15 9.342 8.487 0.943 1.00 0.00 C ATOM 0 H LEU A 15 11.474 11.350 4.050 1.00 0.00 H new ATOM 0 HA LEU A 15 8.828 10.770 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.343 10.853 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.815 9.919 2.593 1.00 0.00 H new ATOM 0 HG LEU A 15 9.399 7.879 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.041 7.971 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.346 8.997 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.170 9.735 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.813 7.594 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.014 9.344 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.414 8.345 0.809 1.00 0.00 H new ATOM 196 N LYS A 16 8.555 8.493 5.627 1.00 0.00 N ATOM 197 CA LYS A 16 8.409 7.237 6.352 1.00 0.00 C ATOM 198 C LYS A 16 7.331 6.364 5.718 1.00 0.00 C ATOM 199 O LYS A 16 6.464 6.857 4.995 1.00 0.00 O ATOM 200 CB LYS A 16 8.064 7.508 7.818 1.00 0.00 C ATOM 201 CG LYS A 16 7.760 6.250 8.614 1.00 0.00 C ATOM 202 CD LYS A 16 8.983 5.356 8.731 1.00 0.00 C ATOM 203 CE LYS A 16 8.592 3.901 8.940 1.00 0.00 C ATOM 204 NZ LYS A 16 9.630 3.151 9.700 1.00 0.00 N ATOM 0 H LYS A 16 7.688 9.018 5.516 1.00 0.00 H new ATOM 0 HA LYS A 16 9.359 6.705 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.896 8.033 8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.202 8.173 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.411 6.524 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.951 5.700 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.588 5.445 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.601 5.691 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.644 3.853 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.435 3.425 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.326 2.164 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.528 3.175 9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.762 3.590 10.634 1.00 0.00 H new ATOM 218 N THR A 17 7.389 5.065 5.994 1.00 0.00 N ATOM 219 CA THR A 17 6.418 4.124 5.450 1.00 0.00 C ATOM 220 C THR A 17 5.854 3.223 6.543 1.00 0.00 C ATOM 221 O THR A 17 6.276 3.292 7.698 1.00 0.00 O ATOM 222 CB THR A 17 7.042 3.246 4.349 1.00 0.00 C ATOM 223 OG1 THR A 17 6.135 2.200 3.983 1.00 0.00 O ATOM 224 CG2 THR A 17 8.357 2.642 4.818 1.00 0.00 C ATOM 0 H THR A 17 8.099 4.641 6.591 1.00 0.00 H new ATOM 0 HA THR A 17 5.611 4.717 5.018 1.00 0.00 H new ATOM 0 HB THR A 17 7.239 3.876 3.482 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.036 2.179 3.008 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.778 2.026 4.023 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.056 3.441 5.068 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.180 2.026 5.700 1.00 0.00 H new ATOM 232 N LYS A 18 4.899 2.378 6.173 1.00 0.00 N ATOM 233 CA LYS A 18 4.278 1.461 7.121 1.00 0.00 C ATOM 234 C LYS A 18 4.410 0.017 6.648 1.00 0.00 C ATOM 235 O LYS A 18 4.752 -0.239 5.494 1.00 0.00 O ATOM 236 CB LYS A 18 2.800 1.813 7.309 1.00 0.00 C ATOM 237 CG LYS A 18 1.949 1.541 6.081 1.00 0.00 C ATOM 238 CD LYS A 18 1.411 0.120 6.079 1.00 0.00 C ATOM 239 CE LYS A 18 0.071 0.030 6.793 1.00 0.00 C ATOM 240 NZ LYS A 18 -1.033 0.603 5.974 1.00 0.00 N ATOM 0 H LYS A 18 4.537 2.309 5.222 1.00 0.00 H new ATOM 0 HA LYS A 18 4.794 1.561 8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.403 1.243 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.717 2.868 7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.118 2.246 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.542 1.708 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.301 -0.227 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.128 -0.542 6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.150 -1.013 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.130 0.559 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.929 0.523 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.835 1.605 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.106 0.082 5.077 1.00 0.00 H new ATOM 254 N GLU A 19 4.137 -0.923 7.547 1.00 0.00 N ATOM 255 CA GLU A 19 4.225 -2.341 7.220 1.00 0.00 C ATOM 256 C GLU A 19 2.837 -2.970 7.143 1.00 0.00 C ATOM 257 O GLU A 19 2.154 -3.119 8.155 1.00 0.00 O ATOM 258 CB GLU A 19 5.072 -3.076 8.262 1.00 0.00 C ATOM 259 CG GLU A 19 4.440 -3.113 9.644 1.00 0.00 C ATOM 260 CD GLU A 19 5.444 -3.422 10.737 1.00 0.00 C ATOM 261 OE1 GLU A 19 5.666 -4.618 11.019 1.00 0.00 O ATOM 262 OE2 GLU A 19 6.009 -2.466 11.310 1.00 0.00 O ATOM 0 H GLU A 19 3.853 -0.728 8.507 1.00 0.00 H new ATOM 0 HA GLU A 19 4.701 -2.433 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.244 -4.098 7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.047 -2.594 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.969 -2.152 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.650 -3.864 9.658 1.00 0.00 H new ATOM 269 N ALA A 20 2.427 -3.336 5.933 1.00 0.00 N ATOM 270 CA ALA A 20 1.121 -3.950 5.722 1.00 0.00 C ATOM 271 C ALA A 20 1.260 -5.340 5.110 1.00 0.00 C ATOM 272 O ALA A 20 2.339 -5.724 4.659 1.00 0.00 O ATOM 273 CB ALA A 20 0.259 -3.064 4.835 1.00 0.00 C ATOM 0 H ALA A 20 2.980 -3.218 5.084 1.00 0.00 H new ATOM 0 HA ALA A 20 0.636 -4.056 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.713 -3.534 4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.123 -2.094 5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.748 -2.929 3.871 1.00 0.00 H new ATOM 279 N SER A 21 0.162 -6.089 5.099 1.00 0.00 N ATOM 280 CA SER A 21 0.163 -7.438 4.547 1.00 0.00 C ATOM 281 C SER A 21 -0.247 -7.424 3.078 1.00 0.00 C ATOM 282 O SER A 21 -0.901 -6.491 2.614 1.00 0.00 O ATOM 283 CB SER A 21 -0.783 -8.339 5.343 1.00 0.00 C ATOM 284 OG SER A 21 -2.137 -8.009 5.087 1.00 0.00 O ATOM 0 H SER A 21 -0.739 -5.784 5.466 1.00 0.00 H new ATOM 0 HA SER A 21 1.176 -7.833 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.604 -9.382 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.576 -8.238 6.408 1.00 0.00 H new ATOM 0 HG SER A 21 -2.722 -8.600 5.606 1.00 0.00 H new ATOM 290 N GLU A 22 0.144 -8.466 2.350 1.00 0.00 N ATOM 291 CA GLU A 22 -0.182 -8.573 0.933 1.00 0.00 C ATOM 292 C GLU A 22 -1.663 -8.292 0.693 1.00 0.00 C ATOM 293 O GLU A 22 -2.515 -8.655 1.503 1.00 0.00 O ATOM 294 CB GLU A 22 0.175 -9.965 0.408 1.00 0.00 C ATOM 295 CG GLU A 22 1.603 -10.077 -0.098 1.00 0.00 C ATOM 296 CD GLU A 22 1.804 -11.265 -1.019 1.00 0.00 C ATOM 297 OE1 GLU A 22 1.532 -11.128 -2.230 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.233 -12.330 -0.529 1.00 0.00 O ATOM 0 H GLU A 22 0.687 -9.247 2.718 1.00 0.00 H new ATOM 0 HA GLU A 22 0.404 -7.828 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.022 -10.694 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.509 -10.226 -0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.870 -9.162 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.280 -10.162 0.752 1.00 0.00 H new ATOM 305 N GLY A 23 -1.961 -7.640 -0.427 1.00 0.00 N ATOM 306 CA GLY A 23 -3.338 -7.319 -0.754 1.00 0.00 C ATOM 307 C GLY A 23 -3.819 -6.057 -0.066 1.00 0.00 C ATOM 308 O GLY A 23 -4.698 -5.362 -0.574 1.00 0.00 O ATOM 0 H GLY A 23 -1.274 -7.329 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.433 -7.199 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.980 -8.152 -0.468 1.00 0.00 H new ATOM 312 N ALA A 24 -3.243 -5.761 1.094 1.00 0.00 N ATOM 313 CA ALA A 24 -3.618 -4.575 1.853 1.00 0.00 C ATOM 314 C ALA A 24 -3.181 -3.303 1.134 1.00 0.00 C ATOM 315 O ALA A 24 -2.671 -3.354 0.014 1.00 0.00 O ATOM 316 CB ALA A 24 -3.014 -4.628 3.249 1.00 0.00 C ATOM 0 H ALA A 24 -2.514 -6.327 1.529 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.704 -4.558 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.303 -3.736 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.379 -5.513 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.928 -4.673 3.174 1.00 0.00 H new ATOM 322 N THR A 25 -3.385 -2.161 1.784 1.00 0.00 N ATOM 323 CA THR A 25 -3.014 -0.876 1.206 1.00 0.00 C ATOM 324 C THR A 25 -2.054 -0.120 2.117 1.00 0.00 C ATOM 325 O THR A 25 -2.375 0.171 3.269 1.00 0.00 O ATOM 326 CB THR A 25 -4.253 0.001 0.945 1.00 0.00 C ATOM 327 OG1 THR A 25 -5.201 -0.716 0.145 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.863 1.293 0.242 1.00 0.00 C ATOM 0 H THR A 25 -3.805 -2.101 2.711 1.00 0.00 H new ATOM 0 HA THR A 25 -2.520 -1.087 0.257 1.00 0.00 H new ATOM 0 HB THR A 25 -4.704 0.250 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.987 -0.152 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.754 1.896 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.164 1.850 0.866 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.391 1.060 -0.712 1.00 0.00 H new ATOM 336 N ALA A 26 -0.874 0.196 1.594 1.00 0.00 N ATOM 337 CA ALA A 26 0.133 0.921 2.360 1.00 0.00 C ATOM 338 C ALA A 26 -0.175 2.414 2.395 1.00 0.00 C ATOM 339 O ALA A 26 -0.981 2.912 1.608 1.00 0.00 O ATOM 340 CB ALA A 26 1.516 0.679 1.775 1.00 0.00 C ATOM 0 H ALA A 26 -0.592 -0.039 0.642 1.00 0.00 H new ATOM 0 HA ALA A 26 0.114 0.548 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.258 1.226 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.743 -0.387 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.539 1.024 0.741 1.00 0.00 H new ATOM 346 N THR A 27 0.471 3.125 3.314 1.00 0.00 N ATOM 347 CA THR A 27 0.265 4.561 3.453 1.00 0.00 C ATOM 348 C THR A 27 1.534 5.254 3.938 1.00 0.00 C ATOM 349 O THR A 27 1.929 5.110 5.095 1.00 0.00 O ATOM 350 CB THR A 27 -0.882 4.872 4.433 1.00 0.00 C ATOM 351 OG1 THR A 27 -2.095 4.262 3.977 1.00 0.00 O ATOM 352 CG2 THR A 27 -1.084 6.373 4.572 1.00 0.00 C ATOM 0 H THR A 27 1.141 2.729 3.973 1.00 0.00 H new ATOM 0 HA THR A 27 0.002 4.939 2.465 1.00 0.00 H new ATOM 0 HB THR A 27 -0.616 4.466 5.409 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.819 4.463 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.899 6.567 5.269 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.169 6.830 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.329 6.799 3.599 1.00 0.00 H new ATOM 360 N LEU A 28 2.168 6.007 3.046 1.00 0.00 N ATOM 361 CA LEU A 28 3.393 6.724 3.383 1.00 0.00 C ATOM 362 C LEU A 28 3.112 8.206 3.610 1.00 0.00 C ATOM 363 O LEU A 28 2.316 8.812 2.894 1.00 0.00 O ATOM 364 CB LEU A 28 4.429 6.555 2.270 1.00 0.00 C ATOM 365 CG LEU A 28 4.788 5.115 1.901 1.00 0.00 C ATOM 366 CD1 LEU A 28 3.883 4.608 0.789 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.249 5.020 1.486 1.00 0.00 C ATOM 0 H LEU A 28 1.854 6.137 2.084 1.00 0.00 H new ATOM 0 HA LEU A 28 3.789 6.302 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.058 7.056 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.342 7.071 2.569 1.00 0.00 H new ATOM 0 HG LEU A 28 4.638 4.487 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.153 3.582 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.845 4.640 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.001 5.239 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.487 3.988 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.424 5.661 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.883 5.342 2.312 1.00 0.00 H new ATOM 379 N GLN A 29 3.772 8.781 4.610 1.00 0.00 N ATOM 380 CA GLN A 29 3.593 10.192 4.931 1.00 0.00 C ATOM 381 C GLN A 29 4.927 10.931 4.900 1.00 0.00 C ATOM 382 O GLN A 29 5.955 10.392 5.313 1.00 0.00 O ATOM 383 CB GLN A 29 2.942 10.347 6.306 1.00 0.00 C ATOM 384 CG GLN A 29 1.487 9.907 6.344 1.00 0.00 C ATOM 385 CD GLN A 29 0.849 10.117 7.703 1.00 0.00 C ATOM 386 OE1 GLN A 29 1.353 10.882 8.527 1.00 0.00 O ATOM 387 NE2 GLN A 29 -0.266 9.439 7.945 1.00 0.00 N ATOM 0 H GLN A 29 4.435 8.292 5.211 1.00 0.00 H new ATOM 0 HA GLN A 29 2.939 10.629 4.177 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.508 9.766 7.034 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.005 11.391 6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.924 10.461 5.593 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.423 8.852 6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.649 8.816 7.234 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.740 9.541 8.842 1.00 0.00 H new ATOM 396 N CYS A 30 4.904 12.165 4.410 1.00 0.00 N ATOM 397 CA CYS A 30 6.112 12.977 4.325 1.00 0.00 C ATOM 398 C CYS A 30 5.776 14.463 4.402 1.00 0.00 C ATOM 399 O CYS A 30 4.745 14.902 3.893 1.00 0.00 O ATOM 400 CB CYS A 30 6.862 12.678 3.026 1.00 0.00 C ATOM 401 SG CYS A 30 6.025 13.270 1.537 1.00 0.00 S ATOM 0 H CYS A 30 4.062 12.625 4.065 1.00 0.00 H new ATOM 0 HA CYS A 30 6.750 12.724 5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.852 13.132 3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.009 11.601 2.943 1.00 0.00 H new ATOM 0 HG CYS A 30 5.138 14.162 1.864 1.00 0.00 H new ATOM 407 N GLU A 31 6.651 15.231 5.042 1.00 0.00 N ATOM 408 CA GLU A 31 6.445 16.667 5.188 1.00 0.00 C ATOM 409 C GLU A 31 7.335 17.445 4.222 1.00 0.00 C ATOM 410 O GLU A 31 8.240 16.883 3.604 1.00 0.00 O ATOM 411 CB GLU A 31 6.730 17.103 6.626 1.00 0.00 C ATOM 412 CG GLU A 31 5.914 18.304 7.071 1.00 0.00 C ATOM 413 CD GLU A 31 5.799 18.405 8.580 1.00 0.00 C ATOM 414 OE1 GLU A 31 5.624 17.356 9.233 1.00 0.00 O ATOM 415 OE2 GLU A 31 5.885 19.534 9.107 1.00 0.00 O ATOM 0 H GLU A 31 7.510 14.883 5.468 1.00 0.00 H new ATOM 0 HA GLU A 31 5.404 16.885 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.527 16.268 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.790 17.339 6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.373 19.214 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.916 18.241 6.638 1.00 0.00 H new ATOM 422 N LEU A 32 7.071 18.741 4.098 1.00 0.00 N ATOM 423 CA LEU A 32 7.847 19.597 3.208 1.00 0.00 C ATOM 424 C LEU A 32 8.012 20.992 3.802 1.00 0.00 C ATOM 425 O LEU A 32 7.270 21.386 4.702 1.00 0.00 O ATOM 426 CB LEU A 32 7.170 19.691 1.839 1.00 0.00 C ATOM 427 CG LEU A 32 7.163 18.409 1.005 1.00 0.00 C ATOM 428 CD1 LEU A 32 6.205 18.541 -0.168 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.567 18.085 0.515 1.00 0.00 C ATOM 0 H LEU A 32 6.326 19.222 4.602 1.00 0.00 H new ATOM 0 HA LEU A 32 8.835 19.153 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.138 20.010 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.666 20.473 1.263 1.00 0.00 H new ATOM 0 HG LEU A 32 6.821 17.589 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.213 17.619 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.197 18.726 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.517 19.372 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.544 17.170 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.936 18.906 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.228 17.947 1.371 1.00 0.00 H new ATOM 441 N SER A 33 8.988 21.736 3.291 1.00 0.00 N ATOM 442 CA SER A 33 9.252 23.087 3.773 1.00 0.00 C ATOM 443 C SER A 33 8.104 24.026 3.413 1.00 0.00 C ATOM 444 O SER A 33 7.817 24.980 4.135 1.00 0.00 O ATOM 445 CB SER A 33 10.561 23.614 3.184 1.00 0.00 C ATOM 446 OG SER A 33 10.890 24.882 3.724 1.00 0.00 O ATOM 0 H SER A 33 9.609 21.426 2.543 1.00 0.00 H new ATOM 0 HA SER A 33 9.340 23.049 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.366 22.908 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.471 23.689 2.100 1.00 0.00 H new ATOM 0 HG SER A 33 11.732 25.196 3.332 1.00 0.00 H new ATOM 452 N LYS A 34 7.451 23.748 2.289 1.00 0.00 N ATOM 453 CA LYS A 34 6.334 24.565 1.831 1.00 0.00 C ATOM 454 C LYS A 34 5.546 23.846 0.740 1.00 0.00 C ATOM 455 O LYS A 34 6.011 22.857 0.174 1.00 0.00 O ATOM 456 CB LYS A 34 6.840 25.910 1.307 1.00 0.00 C ATOM 457 CG LYS A 34 7.440 25.834 -0.086 1.00 0.00 C ATOM 458 CD LYS A 34 7.535 27.208 -0.729 1.00 0.00 C ATOM 459 CE LYS A 34 8.829 27.911 -0.351 1.00 0.00 C ATOM 460 NZ LYS A 34 8.735 28.567 0.983 1.00 0.00 N ATOM 0 H LYS A 34 7.677 22.963 1.679 1.00 0.00 H new ATOM 0 HA LYS A 34 5.672 24.739 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.014 26.621 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.590 26.300 1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.433 25.388 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.831 25.181 -0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.477 27.109 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.685 27.816 -0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.646 27.189 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.071 28.658 -1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.352 29.404 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.752 28.858 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.035 27.898 1.721 1.00 0.00 H new ATOM 474 N VAL A 35 4.352 24.352 0.448 1.00 0.00 N ATOM 475 CA VAL A 35 3.501 23.760 -0.577 1.00 0.00 C ATOM 476 C VAL A 35 4.194 23.762 -1.935 1.00 0.00 C ATOM 477 O VAL A 35 4.370 24.813 -2.552 1.00 0.00 O ATOM 478 CB VAL A 35 2.161 24.510 -0.695 1.00 0.00 C ATOM 479 CG1 VAL A 35 1.290 23.880 -1.772 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.440 24.526 0.644 1.00 0.00 C ATOM 0 H VAL A 35 3.952 25.171 0.907 1.00 0.00 H new ATOM 0 HA VAL A 35 3.307 22.731 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 35 2.365 25.541 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.347 24.423 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.807 23.926 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.091 22.839 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.495 25.060 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.246 23.503 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.062 25.027 1.386 1.00 0.00 H new ATOM 490 N ALA A 36 4.585 22.579 -2.396 1.00 0.00 N ATOM 491 CA ALA A 36 5.257 22.443 -3.682 1.00 0.00 C ATOM 492 C ALA A 36 4.920 21.109 -4.340 1.00 0.00 C ATOM 493 O ALA A 36 4.739 20.090 -3.674 1.00 0.00 O ATOM 494 CB ALA A 36 6.762 22.584 -3.509 1.00 0.00 C ATOM 0 H ALA A 36 4.448 21.700 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 36 4.902 23.240 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.251 22.480 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.990 23.564 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.125 21.808 -2.834 1.00 0.00 H new ATOM 500 N PRO A 37 4.832 21.114 -5.678 1.00 0.00 N ATOM 501 CA PRO A 37 4.516 19.912 -6.455 1.00 0.00 C ATOM 502 C PRO A 37 5.651 18.894 -6.435 1.00 0.00 C ATOM 503 O PRO A 37 6.761 19.178 -6.885 1.00 0.00 O ATOM 504 CB PRO A 37 4.305 20.451 -7.872 1.00 0.00 C ATOM 505 CG PRO A 37 5.099 21.710 -7.921 1.00 0.00 C ATOM 506 CD PRO A 37 5.035 22.294 -6.536 1.00 0.00 C ATOM 0 HA PRO A 37 3.652 19.382 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.647 19.738 -8.622 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.250 20.640 -8.070 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.130 21.510 -8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.688 22.402 -8.656 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.953 22.824 -6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.217 23.008 -6.438 1.00 0.00 H new ATOM 514 N VAL A 38 5.365 17.706 -5.912 1.00 0.00 N ATOM 515 CA VAL A 38 6.362 16.645 -5.835 1.00 0.00 C ATOM 516 C VAL A 38 6.063 15.536 -6.839 1.00 0.00 C ATOM 517 O VAL A 38 5.125 15.638 -7.628 1.00 0.00 O ATOM 518 CB VAL A 38 6.428 16.038 -4.421 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.655 17.126 -3.383 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.159 15.256 -4.118 1.00 0.00 C ATOM 0 H VAL A 38 4.451 17.454 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 38 7.325 17.097 -6.073 1.00 0.00 H new ATOM 0 HB VAL A 38 7.271 15.348 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.699 16.678 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.594 17.638 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.835 17.843 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.222 14.834 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.298 15.922 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.046 14.451 -4.844 1.00 0.00 H new ATOM 530 N GLU A 39 6.867 14.479 -6.801 1.00 0.00 N ATOM 531 CA GLU A 39 6.688 13.351 -7.708 1.00 0.00 C ATOM 532 C GLU A 39 7.228 12.064 -7.089 1.00 0.00 C ATOM 533 O GLU A 39 8.438 11.900 -6.930 1.00 0.00 O ATOM 534 CB GLU A 39 7.390 13.623 -9.040 1.00 0.00 C ATOM 535 CG GLU A 39 7.158 12.542 -10.082 1.00 0.00 C ATOM 536 CD GLU A 39 7.217 13.076 -11.500 1.00 0.00 C ATOM 537 OE1 GLU A 39 8.337 13.228 -12.031 1.00 0.00 O ATOM 538 OE2 GLU A 39 6.143 13.341 -12.079 1.00 0.00 O ATOM 0 H GLU A 39 7.648 14.380 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 39 5.620 13.227 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.043 14.578 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.461 13.722 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.907 11.759 -9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.185 12.081 -9.912 1.00 0.00 H new ATOM 545 N TRP A 40 6.323 11.157 -6.743 1.00 0.00 N ATOM 546 CA TRP A 40 6.707 9.885 -6.142 1.00 0.00 C ATOM 547 C TRP A 40 7.392 8.984 -7.164 1.00 0.00 C ATOM 548 O TRP A 40 7.094 9.044 -8.357 1.00 0.00 O ATOM 549 CB TRP A 40 5.480 9.179 -5.563 1.00 0.00 C ATOM 550 CG TRP A 40 4.842 9.929 -4.433 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.074 11.055 -4.527 1.00 0.00 C ATOM 552 CD2 TRP A 40 4.917 9.608 -3.040 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.669 11.453 -3.276 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.172 10.581 -2.347 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.540 8.591 -2.311 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.035 10.566 -0.961 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.404 8.578 -0.936 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.656 9.560 -0.272 1.00 0.00 C ATOM 0 H TRP A 40 5.318 11.278 -6.868 1.00 0.00 H new ATOM 0 HA TRP A 40 7.412 10.091 -5.337 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.745 9.035 -6.355 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.771 8.188 -5.214 1.00 0.00 H new ATOM 0 HD1 TRP A 40 3.822 11.558 -5.449 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.088 12.266 -3.072 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.117 7.829 -2.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.459 11.322 -0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.882 7.798 -0.363 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.568 9.522 0.804 1.00 0.00 H new ATOM 569 N LYS A 41 8.310 8.149 -6.689 1.00 0.00 N ATOM 570 CA LYS A 41 9.036 7.233 -7.561 1.00 0.00 C ATOM 571 C LYS A 41 9.293 5.903 -6.861 1.00 0.00 C ATOM 572 O LYS A 41 9.493 5.857 -5.647 1.00 0.00 O ATOM 573 CB LYS A 41 10.364 7.857 -7.998 1.00 0.00 C ATOM 574 CG LYS A 41 10.234 8.796 -9.185 1.00 0.00 C ATOM 575 CD LYS A 41 11.498 8.807 -10.027 1.00 0.00 C ATOM 576 CE LYS A 41 11.451 9.895 -11.089 1.00 0.00 C ATOM 577 NZ LYS A 41 11.967 11.194 -10.575 1.00 0.00 N ATOM 0 H LYS A 41 8.569 8.088 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 41 8.422 7.046 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.792 8.404 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.064 7.061 -8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.388 8.491 -9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.023 9.805 -8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.364 8.963 -9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.626 7.836 -10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.041 9.586 -11.952 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.425 10.022 -11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.465 11.976 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.812 11.247 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.985 11.267 -10.776 1.00 0.00 H new ATOM 591 N LYS A 42 9.288 4.822 -7.633 1.00 0.00 N ATOM 592 CA LYS A 42 9.523 3.490 -7.088 1.00 0.00 C ATOM 593 C LYS A 42 10.797 2.883 -7.667 1.00 0.00 C ATOM 594 O LYS A 42 10.877 1.674 -7.885 1.00 0.00 O ATOM 595 CB LYS A 42 8.330 2.578 -7.383 1.00 0.00 C ATOM 596 CG LYS A 42 8.356 1.273 -6.606 1.00 0.00 C ATOM 597 CD LYS A 42 7.037 0.528 -6.724 1.00 0.00 C ATOM 598 CE LYS A 42 7.206 -0.954 -6.427 1.00 0.00 C ATOM 599 NZ LYS A 42 7.654 -1.713 -7.628 1.00 0.00 N ATOM 0 H LYS A 42 9.124 4.842 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 42 9.643 3.582 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.409 3.112 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.308 2.356 -8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.165 0.644 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.567 1.477 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.312 0.958 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.635 0.655 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.932 -1.083 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.261 -1.363 -6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.757 -2.719 -7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.949 -1.611 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.569 -1.340 -7.953 1.00 0.00 H new ATOM 613 N GLY A 43 11.792 3.729 -7.914 1.00 0.00 N ATOM 614 CA GLY A 43 13.049 3.256 -8.464 1.00 0.00 C ATOM 615 C GLY A 43 13.507 4.077 -9.653 1.00 0.00 C ATOM 616 O GLY A 43 13.287 5.287 -9.721 1.00 0.00 O ATOM 0 H GLY A 43 11.750 4.734 -7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.815 3.286 -7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.941 2.214 -8.766 1.00 0.00 H new ATOM 620 N PRO A 44 14.163 3.415 -10.617 1.00 0.00 N ATOM 621 CA PRO A 44 14.668 4.072 -11.826 1.00 0.00 C ATOM 622 C PRO A 44 13.545 4.515 -12.758 1.00 0.00 C ATOM 623 O PRO A 44 13.796 5.030 -13.847 1.00 0.00 O ATOM 624 CB PRO A 44 15.517 2.987 -12.492 1.00 0.00 C ATOM 625 CG PRO A 44 14.944 1.702 -12.000 1.00 0.00 C ATOM 626 CD PRO A 44 14.460 1.973 -10.602 1.00 0.00 C ATOM 0 HA PRO A 44 15.220 4.982 -11.593 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.464 3.054 -13.579 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.568 3.083 -12.218 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.126 1.370 -12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.695 0.912 -12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.575 1.383 -10.362 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.219 1.727 -9.859 1.00 0.00 H new ATOM 634 N GLU A 45 12.305 4.311 -12.322 1.00 0.00 N ATOM 635 CA GLU A 45 11.144 4.690 -13.119 1.00 0.00 C ATOM 636 C GLU A 45 10.284 5.708 -12.376 1.00 0.00 C ATOM 637 O GLU A 45 10.403 5.872 -11.161 1.00 0.00 O ATOM 638 CB GLU A 45 10.309 3.454 -13.463 1.00 0.00 C ATOM 639 CG GLU A 45 10.712 2.792 -14.770 1.00 0.00 C ATOM 640 CD GLU A 45 10.464 1.296 -14.766 1.00 0.00 C ATOM 641 OE1 GLU A 45 9.331 0.881 -15.088 1.00 0.00 O ATOM 642 OE2 GLU A 45 11.405 0.541 -14.442 1.00 0.00 O ATOM 0 H GLU A 45 12.079 3.886 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 45 11.501 5.147 -14.042 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.400 2.728 -12.655 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.259 3.740 -13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.156 3.247 -15.590 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.769 2.981 -14.958 1.00 0.00 H new ATOM 649 N THR A 46 9.416 6.392 -13.115 1.00 0.00 N ATOM 650 CA THR A 46 8.536 7.395 -12.529 1.00 0.00 C ATOM 651 C THR A 46 7.112 6.868 -12.397 1.00 0.00 C ATOM 652 O THR A 46 6.678 6.019 -13.176 1.00 0.00 O ATOM 653 CB THR A 46 8.518 8.686 -13.370 1.00 0.00 C ATOM 654 OG1 THR A 46 9.809 8.914 -13.945 1.00 0.00 O ATOM 655 CG2 THR A 46 8.118 9.881 -12.518 1.00 0.00 C ATOM 0 H THR A 46 9.304 6.269 -14.121 1.00 0.00 H new ATOM 0 HA THR A 46 8.930 7.621 -11.538 1.00 0.00 H new ATOM 0 HB THR A 46 7.783 8.565 -14.166 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.789 9.735 -14.479 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.112 10.781 -13.133 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.122 9.717 -12.106 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.832 10.003 -11.704 1.00 0.00 H new ATOM 663 N LEU A 47 6.388 7.377 -11.406 1.00 0.00 N ATOM 664 CA LEU A 47 5.010 6.958 -11.172 1.00 0.00 C ATOM 665 C LEU A 47 4.047 8.126 -11.353 1.00 0.00 C ATOM 666 O LEU A 47 4.468 9.261 -11.582 1.00 0.00 O ATOM 667 CB LEU A 47 4.866 6.377 -9.764 1.00 0.00 C ATOM 668 CG LEU A 47 5.676 5.113 -9.473 1.00 0.00 C ATOM 669 CD1 LEU A 47 5.678 4.812 -7.982 1.00 0.00 C ATOM 670 CD2 LEU A 47 5.122 3.932 -10.256 1.00 0.00 C ATOM 0 H LEU A 47 6.732 8.080 -10.752 1.00 0.00 H new ATOM 0 HA LEU A 47 4.761 6.190 -11.904 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.156 7.143 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.813 6.158 -9.589 1.00 0.00 H new ATOM 0 HG LEU A 47 6.705 5.283 -9.790 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.259 3.909 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.122 5.649 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.654 4.662 -7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.711 3.041 -10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.084 3.760 -9.970 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.173 4.147 -11.323 1.00 0.00 H new ATOM 682 N ARG A 48 2.753 7.842 -11.248 1.00 0.00 N ATOM 683 CA ARG A 48 1.730 8.869 -11.400 1.00 0.00 C ATOM 684 C ARG A 48 0.426 8.440 -10.735 1.00 0.00 C ATOM 685 O ARG A 48 0.182 7.250 -10.533 1.00 0.00 O ATOM 686 CB ARG A 48 1.487 9.162 -12.882 1.00 0.00 C ATOM 687 CG ARG A 48 2.411 10.227 -13.452 1.00 0.00 C ATOM 688 CD ARG A 48 2.051 10.565 -14.890 1.00 0.00 C ATOM 689 NE ARG A 48 2.699 9.667 -15.842 1.00 0.00 N ATOM 690 CZ ARG A 48 2.204 8.484 -16.190 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.062 8.060 -15.668 1.00 0.00 N ATOM 692 NH2 ARG A 48 2.852 7.724 -17.063 1.00 0.00 N ATOM 0 H ARG A 48 2.388 6.909 -11.058 1.00 0.00 H new ATOM 0 HA ARG A 48 2.086 9.776 -10.911 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.613 8.241 -13.451 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.453 9.480 -13.016 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.352 11.127 -12.840 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.442 9.878 -13.406 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.970 10.508 -15.016 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.343 11.593 -15.105 1.00 0.00 H new ATOM 0 HE ARG A 48 3.579 9.964 -16.263 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.561 8.642 -14.997 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.684 7.151 -15.937 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.731 8.048 -17.467 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.472 6.816 -17.330 1.00 0.00 H new ATOM 706 N ASP A 49 -0.409 9.417 -10.396 1.00 0.00 N ATOM 707 CA ASP A 49 -1.688 9.141 -9.754 1.00 0.00 C ATOM 708 C ASP A 49 -2.685 8.562 -10.754 1.00 0.00 C ATOM 709 O ASP A 49 -2.815 9.057 -11.873 1.00 0.00 O ATOM 710 CB ASP A 49 -2.256 10.416 -9.130 1.00 0.00 C ATOM 711 CG ASP A 49 -2.804 11.375 -10.169 1.00 0.00 C ATOM 712 OD1 ASP A 49 -2.224 11.449 -11.272 1.00 0.00 O ATOM 713 OD2 ASP A 49 -3.814 12.051 -9.879 1.00 0.00 O ATOM 0 H ASP A 49 -0.222 10.407 -10.556 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.520 8.405 -8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.048 10.152 -8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.475 10.915 -8.555 1.00 0.00 H new ATOM 718 N GLY A 50 -3.385 7.510 -10.343 1.00 0.00 N ATOM 719 CA GLY A 50 -4.360 6.880 -11.215 1.00 0.00 C ATOM 720 C GLY A 50 -4.064 5.412 -11.451 1.00 0.00 C ATOM 721 O GLY A 50 -2.917 5.033 -11.687 1.00 0.00 O ATOM 0 H GLY A 50 -3.295 7.082 -9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.353 6.981 -10.778 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.378 7.402 -12.172 1.00 0.00 H new ATOM 725 N GLY A 51 -5.101 4.583 -11.386 1.00 0.00 N ATOM 726 CA GLY A 51 -4.926 3.158 -11.595 1.00 0.00 C ATOM 727 C GLY A 51 -4.803 2.392 -10.293 1.00 0.00 C ATOM 728 O GLY A 51 -5.804 2.111 -9.633 1.00 0.00 O ATOM 0 H GLY A 51 -6.060 4.873 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.772 2.771 -12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.034 2.989 -12.198 1.00 0.00 H new ATOM 732 N ARG A 52 -3.573 2.052 -9.922 1.00 0.00 N ATOM 733 CA ARG A 52 -3.323 1.311 -8.691 1.00 0.00 C ATOM 734 C ARG A 52 -2.397 2.093 -7.764 1.00 0.00 C ATOM 735 O ARG A 52 -1.520 1.519 -7.118 1.00 0.00 O ATOM 736 CB ARG A 52 -2.710 -0.055 -9.009 1.00 0.00 C ATOM 737 CG ARG A 52 -3.701 -1.045 -9.599 1.00 0.00 C ATOM 738 CD ARG A 52 -3.203 -2.476 -9.469 1.00 0.00 C ATOM 739 NE ARG A 52 -2.396 -2.880 -10.617 1.00 0.00 N ATOM 740 CZ ARG A 52 -1.820 -4.072 -10.727 1.00 0.00 C ATOM 741 NH1 ARG A 52 -1.963 -4.972 -9.765 1.00 0.00 N ATOM 742 NH2 ARG A 52 -1.100 -4.366 -11.802 1.00 0.00 N ATOM 0 H ARG A 52 -2.734 2.278 -10.456 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.277 1.165 -8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.885 0.080 -9.708 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.289 -0.476 -8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.661 -0.945 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.869 -0.811 -10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.612 -2.573 -8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.055 -3.149 -9.370 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.268 -2.211 -11.376 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.516 -4.750 -8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.520 -5.886 -9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.988 -3.676 -12.545 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.658 -5.282 -11.885 1.00 0.00 H new ATOM 756 N TYR A 53 -2.598 3.404 -7.705 1.00 0.00 N ATOM 757 CA TYR A 53 -1.779 4.266 -6.860 1.00 0.00 C ATOM 758 C TYR A 53 -2.512 5.564 -6.534 1.00 0.00 C ATOM 759 O TYR A 53 -3.054 6.224 -7.420 1.00 0.00 O ATOM 760 CB TYR A 53 -0.449 4.577 -7.549 1.00 0.00 C ATOM 761 CG TYR A 53 0.387 3.350 -7.834 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.112 2.729 -6.824 1.00 0.00 C ATOM 763 CD2 TYR A 53 0.452 2.811 -9.113 1.00 0.00 C ATOM 764 CE1 TYR A 53 1.877 1.608 -7.080 1.00 0.00 C ATOM 765 CE2 TYR A 53 1.215 1.690 -9.378 1.00 0.00 C ATOM 766 CZ TYR A 53 1.925 1.092 -8.358 1.00 0.00 C ATOM 767 OH TYR A 53 2.687 -0.024 -8.618 1.00 0.00 O ATOM 0 H TYR A 53 -3.321 3.894 -8.232 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.582 3.737 -5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.648 5.097 -8.486 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.125 5.259 -6.922 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.077 3.130 -5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.103 3.276 -9.914 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.435 1.138 -6.284 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.255 1.284 -10.378 1.00 0.00 H new ATOM 0 HH TYR A 53 2.611 -0.258 -9.566 1.00 0.00 H new ATOM 777 N SER A 54 -2.523 5.923 -5.254 1.00 0.00 N ATOM 778 CA SER A 54 -3.190 7.140 -4.808 1.00 0.00 C ATOM 779 C SER A 54 -2.216 8.057 -4.075 1.00 0.00 C ATOM 780 O SER A 54 -1.669 7.695 -3.032 1.00 0.00 O ATOM 781 CB SER A 54 -4.369 6.795 -3.895 1.00 0.00 C ATOM 782 OG SER A 54 -5.533 6.509 -4.651 1.00 0.00 O ATOM 0 H SER A 54 -2.078 5.388 -4.508 1.00 0.00 H new ATOM 0 HA SER A 54 -3.562 7.664 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.114 5.935 -3.275 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.566 7.628 -3.220 1.00 0.00 H new ATOM 0 HG SER A 54 -6.271 6.290 -4.045 1.00 0.00 H new ATOM 788 N LEU A 55 -2.004 9.246 -4.627 1.00 0.00 N ATOM 789 CA LEU A 55 -1.095 10.217 -4.027 1.00 0.00 C ATOM 790 C LEU A 55 -1.816 11.529 -3.735 1.00 0.00 C ATOM 791 O LEU A 55 -2.127 12.297 -4.646 1.00 0.00 O ATOM 792 CB LEU A 55 0.095 10.472 -4.954 1.00 0.00 C ATOM 793 CG LEU A 55 0.624 9.257 -5.717 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.122 9.087 -7.031 1.00 0.00 C ATOM 795 CD2 LEU A 55 2.119 9.391 -5.964 1.00 0.00 C ATOM 0 H LEU A 55 -2.449 9.561 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.733 9.805 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.191 11.234 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.910 10.886 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 55 0.455 8.368 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.268 8.218 -7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.184 8.944 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.015 9.977 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.478 8.517 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.312 10.289 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.640 9.463 -5.010 1.00 0.00 H new ATOM 807 N LYS A 56 -2.078 11.782 -2.457 1.00 0.00 N ATOM 808 CA LYS A 56 -2.759 13.003 -2.042 1.00 0.00 C ATOM 809 C LYS A 56 -1.773 13.997 -1.438 1.00 0.00 C ATOM 810 O LYS A 56 -0.847 13.611 -0.725 1.00 0.00 O ATOM 811 CB LYS A 56 -3.858 12.678 -1.028 1.00 0.00 C ATOM 812 CG LYS A 56 -4.848 13.811 -0.820 1.00 0.00 C ATOM 813 CD LYS A 56 -6.194 13.295 -0.338 1.00 0.00 C ATOM 814 CE LYS A 56 -7.085 14.429 0.145 1.00 0.00 C ATOM 815 NZ LYS A 56 -7.648 15.214 -0.989 1.00 0.00 N ATOM 0 H LYS A 56 -1.829 11.157 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.210 13.456 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.398 11.792 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.397 12.430 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.447 14.517 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.980 14.356 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.691 12.760 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.042 12.580 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.899 14.021 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.511 15.090 0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.249 15.977 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.872 15.625 -1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.217 14.589 -1.595 1.00 0.00 H new ATOM 829 N GLN A 57 -1.980 15.278 -1.726 1.00 0.00 N ATOM 830 CA GLN A 57 -1.109 16.327 -1.210 1.00 0.00 C ATOM 831 C GLN A 57 -1.873 17.257 -0.273 1.00 0.00 C ATOM 832 O GLN A 57 -2.668 18.086 -0.717 1.00 0.00 O ATOM 833 CB GLN A 57 -0.504 17.130 -2.363 1.00 0.00 C ATOM 834 CG GLN A 57 0.286 18.347 -1.908 1.00 0.00 C ATOM 835 CD GLN A 57 1.378 18.733 -2.886 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.162 18.758 -4.098 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.561 19.036 -2.364 1.00 0.00 N ATOM 0 H GLN A 57 -2.743 15.614 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.306 15.853 -0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.149 16.479 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.304 17.454 -3.028 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.394 19.189 -1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.731 18.143 -0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.696 19.002 -1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.334 19.302 -2.974 1.00 0.00 H new ATOM 846 N ASP A 58 -1.627 17.114 1.025 1.00 0.00 N ATOM 847 CA ASP A 58 -2.291 17.942 2.025 1.00 0.00 C ATOM 848 C ASP A 58 -1.411 19.122 2.424 1.00 0.00 C ATOM 849 O ASP A 58 -0.755 19.096 3.465 1.00 0.00 O ATOM 850 CB ASP A 58 -2.639 17.108 3.259 1.00 0.00 C ATOM 851 CG ASP A 58 -3.920 16.317 3.081 1.00 0.00 C ATOM 852 OD1 ASP A 58 -3.853 15.192 2.541 1.00 0.00 O ATOM 853 OD2 ASP A 58 -4.989 16.822 3.482 1.00 0.00 O ATOM 0 H ASP A 58 -0.973 16.432 1.409 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.211 18.330 1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.819 16.423 3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.739 17.766 4.122 1.00 0.00 H new ATOM 858 N GLY A 59 -1.402 20.157 1.589 1.00 0.00 N ATOM 859 CA GLY A 59 -0.598 21.332 1.872 1.00 0.00 C ATOM 860 C GLY A 59 0.889 21.055 1.771 1.00 0.00 C ATOM 861 O GLY A 59 1.448 21.014 0.675 1.00 0.00 O ATOM 0 H GLY A 59 -1.937 20.203 0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.864 22.127 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.830 21.694 2.874 1.00 0.00 H new ATOM 865 N THR A 60 1.533 20.866 2.918 1.00 0.00 N ATOM 866 CA THR A 60 2.965 20.595 2.955 1.00 0.00 C ATOM 867 C THR A 60 3.239 19.124 3.248 1.00 0.00 C ATOM 868 O THR A 60 4.355 18.751 3.608 1.00 0.00 O ATOM 869 CB THR A 60 3.673 21.459 4.016 1.00 0.00 C ATOM 870 OG1 THR A 60 3.012 21.324 5.278 1.00 0.00 O ATOM 871 CG2 THR A 60 3.689 22.922 3.599 1.00 0.00 C ATOM 0 H THR A 60 1.086 20.896 3.834 1.00 0.00 H new ATOM 0 HA THR A 60 3.360 20.846 1.970 1.00 0.00 H new ATOM 0 HB THR A 60 4.702 21.113 4.107 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.469 21.875 5.947 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.194 23.513 4.363 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.219 23.025 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.666 23.278 3.482 1.00 0.00 H new ATOM 879 N ARG A 61 2.213 18.294 3.091 1.00 0.00 N ATOM 880 CA ARG A 61 2.344 16.863 3.340 1.00 0.00 C ATOM 881 C ARG A 61 1.774 16.055 2.178 1.00 0.00 C ATOM 882 O ARG A 61 0.856 16.502 1.490 1.00 0.00 O ATOM 883 CB ARG A 61 1.631 16.482 4.639 1.00 0.00 C ATOM 884 CG ARG A 61 2.516 16.578 5.871 1.00 0.00 C ATOM 885 CD ARG A 61 1.690 16.700 7.142 1.00 0.00 C ATOM 886 NE ARG A 61 1.167 18.050 7.328 1.00 0.00 N ATOM 887 CZ ARG A 61 0.232 18.360 8.219 1.00 0.00 C ATOM 888 NH1 ARG A 61 -0.280 17.420 9.001 1.00 0.00 N ATOM 889 NH2 ARG A 61 -0.193 19.612 8.329 1.00 0.00 N ATOM 0 H ARG A 61 1.283 18.587 2.793 1.00 0.00 H new ATOM 0 HA ARG A 61 3.405 16.632 3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.766 17.131 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.254 15.463 4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.153 15.695 5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.176 17.441 5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.862 15.992 7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.304 16.428 8.001 1.00 0.00 H new ATOM 0 HE ARG A 61 1.540 18.796 6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.044 16.456 8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.998 17.660 9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.198 20.338 7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.911 19.849 9.014 1.00 0.00 H new ATOM 903 N CYS A 62 2.325 14.865 1.966 1.00 0.00 N ATOM 904 CA CYS A 62 1.872 13.994 0.887 1.00 0.00 C ATOM 905 C CYS A 62 1.637 12.576 1.394 1.00 0.00 C ATOM 906 O CYS A 62 2.518 11.971 2.005 1.00 0.00 O ATOM 907 CB CYS A 62 2.897 13.980 -0.248 1.00 0.00 C ATOM 908 SG CYS A 62 2.985 15.524 -1.184 1.00 0.00 S ATOM 0 H CYS A 62 3.086 14.481 2.527 1.00 0.00 H new ATOM 0 HA CYS A 62 0.927 14.385 0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.881 13.764 0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.654 13.167 -0.932 1.00 0.00 H new ATOM 0 HG CYS A 62 2.277 16.435 -0.585 1.00 0.00 H new ATOM 914 N GLU A 63 0.442 12.052 1.139 1.00 0.00 N ATOM 915 CA GLU A 63 0.091 10.705 1.573 1.00 0.00 C ATOM 916 C GLU A 63 -0.063 9.771 0.377 1.00 0.00 C ATOM 917 O GLU A 63 -1.025 9.874 -0.387 1.00 0.00 O ATOM 918 CB GLU A 63 -1.206 10.729 2.386 1.00 0.00 C ATOM 919 CG GLU A 63 -1.755 9.347 2.696 1.00 0.00 C ATOM 920 CD GLU A 63 -3.139 9.394 3.314 1.00 0.00 C ATOM 921 OE1 GLU A 63 -3.234 9.630 4.537 1.00 0.00 O ATOM 922 OE2 GLU A 63 -4.126 9.195 2.576 1.00 0.00 O ATOM 0 H GLU A 63 -0.299 12.539 0.635 1.00 0.00 H new ATOM 0 HA GLU A 63 0.899 10.331 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.029 11.259 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.959 11.295 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.791 8.760 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.075 8.834 3.376 1.00 0.00 H new ATOM 929 N LEU A 64 0.890 8.859 0.219 1.00 0.00 N ATOM 930 CA LEU A 64 0.862 7.906 -0.884 1.00 0.00 C ATOM 931 C LEU A 64 0.161 6.615 -0.472 1.00 0.00 C ATOM 932 O LEU A 64 0.256 6.187 0.678 1.00 0.00 O ATOM 933 CB LEU A 64 2.285 7.599 -1.355 1.00 0.00 C ATOM 934 CG LEU A 64 2.468 6.293 -2.129 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.751 6.361 -3.469 1.00 0.00 C ATOM 936 CD2 LEU A 64 3.947 5.994 -2.329 1.00 0.00 C ATOM 0 H LEU A 64 1.692 8.760 0.841 1.00 0.00 H new ATOM 0 HA LEU A 64 0.303 8.355 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.623 8.422 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.938 7.576 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 64 2.029 5.483 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.893 5.423 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.687 6.528 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.160 7.181 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.058 5.061 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.410 6.806 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.434 5.901 -1.358 1.00 0.00 H new ATOM 948 N GLN A 65 -0.540 6.000 -1.418 1.00 0.00 N ATOM 949 CA GLN A 65 -1.256 4.757 -1.152 1.00 0.00 C ATOM 950 C GLN A 65 -1.068 3.766 -2.297 1.00 0.00 C ATOM 951 O GLN A 65 -1.033 4.152 -3.465 1.00 0.00 O ATOM 952 CB GLN A 65 -2.745 5.036 -0.942 1.00 0.00 C ATOM 953 CG GLN A 65 -3.091 5.451 0.479 1.00 0.00 C ATOM 954 CD GLN A 65 -4.571 5.322 0.780 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.414 5.812 0.029 1.00 0.00 O ATOM 956 NE2 GLN A 65 -4.895 4.659 1.884 1.00 0.00 N ATOM 0 H GLN A 65 -0.628 6.341 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.845 4.317 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.059 5.822 -1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.314 4.142 -1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.526 4.837 1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.780 6.484 0.638 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.163 4.269 2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.876 4.540 2.138 1.00 0.00 H new ATOM 965 N ILE A 66 -0.949 2.488 -1.952 1.00 0.00 N ATOM 966 CA ILE A 66 -0.767 1.443 -2.951 1.00 0.00 C ATOM 967 C ILE A 66 -1.790 0.327 -2.772 1.00 0.00 C ATOM 968 O ILE A 66 -1.570 -0.617 -2.011 1.00 0.00 O ATOM 969 CB ILE A 66 0.649 0.841 -2.883 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.701 1.952 -2.892 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.874 -0.117 -4.044 1.00 0.00 C ATOM 972 CD1 ILE A 66 2.981 1.579 -2.178 1.00 0.00 C ATOM 0 H ILE A 66 -0.975 2.152 -0.989 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.909 1.910 -3.926 1.00 0.00 H new ATOM 0 HB ILE A 66 0.745 0.283 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.933 2.213 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.281 2.843 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.879 -0.534 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.143 -0.924 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.762 0.420 -4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.680 2.414 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.762 1.347 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.425 0.707 -2.658 1.00 0.00 H new ATOM 984 N HIS A 67 -2.911 0.440 -3.478 1.00 0.00 N ATOM 985 CA HIS A 67 -3.969 -0.561 -3.399 1.00 0.00 C ATOM 986 C HIS A 67 -3.487 -1.905 -3.939 1.00 0.00 C ATOM 987 O HIS A 67 -2.677 -1.959 -4.865 1.00 0.00 O ATOM 988 CB HIS A 67 -5.198 -0.097 -4.180 1.00 0.00 C ATOM 989 CG HIS A 67 -5.741 1.219 -3.715 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.457 1.367 -2.545 1.00 0.00 N ATOM 991 CD2 HIS A 67 -5.668 2.452 -4.267 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.802 2.634 -2.400 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.335 3.314 -3.431 1.00 0.00 N ATOM 0 H HIS A 67 -3.110 1.215 -4.111 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.239 -0.686 -2.350 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.940 -0.021 -5.236 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.979 -0.853 -4.096 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.176 2.711 -5.193 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.370 3.044 -1.578 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.451 4.316 -3.582 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.989 -2.986 -3.353 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.609 -4.330 -3.775 1.00 0.00 C ATOM 1004 C ASP A 68 -2.115 -4.560 -3.577 1.00 0.00 C ATOM 1005 O ASP A 68 -1.410 -4.965 -4.502 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.982 -4.551 -5.242 1.00 0.00 C ATOM 1007 CG ASP A 68 -3.995 -6.019 -5.621 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -4.844 -6.762 -5.085 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -3.157 -6.425 -6.453 1.00 0.00 O ATOM 0 H ASP A 68 -4.660 -2.959 -2.585 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.153 -5.045 -3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.965 -4.121 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.273 -4.021 -5.878 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.637 -4.299 -2.365 1.00 0.00 N ATOM 1015 CA LEU A 69 -0.225 -4.477 -2.045 1.00 0.00 C ATOM 1016 C LEU A 69 0.268 -5.848 -2.495 1.00 0.00 C ATOM 1017 O LEU A 69 -0.523 -6.701 -2.900 1.00 0.00 O ATOM 1018 CB LEU A 69 0.003 -4.309 -0.541 1.00 0.00 C ATOM 1019 CG LEU A 69 0.310 -2.890 -0.063 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.457 -2.857 1.450 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.569 -2.362 -0.734 1.00 0.00 C ATOM 0 H LEU A 69 -2.206 -3.964 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 69 0.341 -3.715 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.885 -4.663 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.828 -4.957 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.524 -2.245 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.675 -1.839 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.471 -3.193 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.272 -3.515 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.772 -1.351 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.411 -3.008 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.427 -2.348 -1.815 1.00 0.00 H new ATOM 1033 N SER A 70 1.578 -6.055 -2.421 1.00 0.00 N ATOM 1034 CA SER A 70 2.177 -7.323 -2.823 1.00 0.00 C ATOM 1035 C SER A 70 3.625 -7.414 -2.352 1.00 0.00 C ATOM 1036 O SER A 70 4.263 -6.399 -2.070 1.00 0.00 O ATOM 1037 CB SER A 70 2.112 -7.482 -4.343 1.00 0.00 C ATOM 1038 OG SER A 70 0.895 -8.090 -4.741 1.00 0.00 O ATOM 0 H SER A 70 2.246 -5.361 -2.086 1.00 0.00 H new ATOM 0 HA SER A 70 1.611 -8.129 -2.356 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.207 -6.506 -4.818 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.953 -8.086 -4.685 1.00 0.00 H new ATOM 0 HG SER A 70 0.163 -7.754 -4.182 1.00 0.00 H new ATOM 1044 N VAL A 71 4.138 -8.637 -2.268 1.00 0.00 N ATOM 1045 CA VAL A 71 5.511 -8.863 -1.832 1.00 0.00 C ATOM 1046 C VAL A 71 6.507 -8.313 -2.847 1.00 0.00 C ATOM 1047 O VAL A 71 7.647 -8.000 -2.507 1.00 0.00 O ATOM 1048 CB VAL A 71 5.791 -10.361 -1.613 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.446 -10.766 -0.188 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.016 -11.200 -2.618 1.00 0.00 C ATOM 0 H VAL A 71 3.623 -9.487 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 71 5.634 -8.337 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 71 6.855 -10.541 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.650 -11.828 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.050 -10.188 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.390 -10.573 -0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.226 -12.256 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.948 -11.018 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.318 -10.928 -3.629 1.00 0.00 H new ATOM 1060 N ALA A 72 6.067 -8.199 -4.097 1.00 0.00 N ATOM 1061 CA ALA A 72 6.919 -7.684 -5.162 1.00 0.00 C ATOM 1062 C ALA A 72 6.962 -6.160 -5.143 1.00 0.00 C ATOM 1063 O ALA A 72 7.826 -5.546 -5.769 1.00 0.00 O ATOM 1064 CB ALA A 72 6.434 -8.185 -6.514 1.00 0.00 C ATOM 0 H ALA A 72 5.126 -8.456 -4.396 1.00 0.00 H new ATOM 0 HA ALA A 72 7.932 -8.051 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.079 -7.793 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.463 -9.274 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.411 -7.847 -6.682 1.00 0.00 H new ATOM 1070 N ASP A 73 6.023 -5.556 -4.424 1.00 0.00 N ATOM 1071 CA ASP A 73 5.953 -4.102 -4.324 1.00 0.00 C ATOM 1072 C ASP A 73 6.925 -3.583 -3.269 1.00 0.00 C ATOM 1073 O ASP A 73 7.407 -2.454 -3.357 1.00 0.00 O ATOM 1074 CB ASP A 73 4.529 -3.661 -3.985 1.00 0.00 C ATOM 1075 CG ASP A 73 3.677 -3.454 -5.222 1.00 0.00 C ATOM 1076 OD1 ASP A 73 3.709 -2.339 -5.785 1.00 0.00 O ATOM 1077 OD2 ASP A 73 2.979 -4.406 -5.627 1.00 0.00 O ATOM 0 H ASP A 73 5.299 -6.050 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 73 6.235 -3.682 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.062 -4.411 -3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.565 -2.734 -3.413 1.00 0.00 H new ATOM 1082 N ALA A 74 7.207 -4.414 -2.272 1.00 0.00 N ATOM 1083 CA ALA A 74 8.122 -4.039 -1.200 1.00 0.00 C ATOM 1084 C ALA A 74 9.498 -3.684 -1.752 1.00 0.00 C ATOM 1085 O ALA A 74 10.281 -4.564 -2.107 1.00 0.00 O ATOM 1086 CB ALA A 74 8.233 -5.166 -0.183 1.00 0.00 C ATOM 0 H ALA A 74 6.815 -5.352 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 74 7.720 -3.155 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.919 -4.873 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.251 -5.370 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.609 -6.064 -0.674 1.00 0.00 H new ATOM 1092 N GLY A 75 9.786 -2.388 -1.823 1.00 0.00 N ATOM 1093 CA GLY A 75 11.069 -1.940 -2.334 1.00 0.00 C ATOM 1094 C GLY A 75 11.514 -0.630 -1.714 1.00 0.00 C ATOM 1095 O GLY A 75 11.653 -0.529 -0.496 1.00 0.00 O ATOM 0 H GLY A 75 9.154 -1.640 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.821 -2.705 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.005 -1.823 -3.416 1.00 0.00 H new ATOM 1099 N GLU A 76 11.739 0.374 -2.556 1.00 0.00 N ATOM 1100 CA GLU A 76 12.173 1.683 -2.082 1.00 0.00 C ATOM 1101 C GLU A 76 11.469 2.800 -2.848 1.00 0.00 C ATOM 1102 O GLU A 76 11.722 3.009 -4.034 1.00 0.00 O ATOM 1103 CB GLU A 76 13.690 1.826 -2.231 1.00 0.00 C ATOM 1104 CG GLU A 76 14.212 3.200 -1.845 1.00 0.00 C ATOM 1105 CD GLU A 76 15.727 3.266 -1.837 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.368 2.195 -1.860 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.272 4.390 -1.808 1.00 0.00 O ATOM 0 H GLU A 76 11.628 0.306 -3.568 1.00 0.00 H new ATOM 0 HA GLU A 76 11.908 1.766 -1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.180 1.074 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.966 1.619 -3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.823 3.942 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.835 3.464 -0.857 1.00 0.00 H new ATOM 1114 N TYR A 77 10.585 3.513 -2.160 1.00 0.00 N ATOM 1115 CA TYR A 77 9.841 4.607 -2.775 1.00 0.00 C ATOM 1116 C TYR A 77 10.492 5.951 -2.463 1.00 0.00 C ATOM 1117 O TYR A 77 10.571 6.362 -1.305 1.00 0.00 O ATOM 1118 CB TYR A 77 8.391 4.604 -2.286 1.00 0.00 C ATOM 1119 CG TYR A 77 7.594 3.412 -2.764 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.772 2.157 -2.193 1.00 0.00 C ATOM 1121 CD2 TYR A 77 6.663 3.539 -3.788 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.046 1.065 -2.628 1.00 0.00 C ATOM 1123 CE2 TYR A 77 5.931 2.453 -4.227 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.126 1.218 -3.644 1.00 0.00 C ATOM 1125 OH TYR A 77 5.400 0.134 -4.080 1.00 0.00 O ATOM 0 H TYR A 77 10.366 3.354 -1.177 1.00 0.00 H new ATOM 0 HA TYR A 77 9.853 4.459 -3.855 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.384 4.622 -1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.901 5.517 -2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.490 2.034 -1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.509 4.504 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.198 0.097 -2.175 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.210 2.570 -5.022 1.00 0.00 H new ATOM 0 HH TYR A 77 5.900 -0.689 -3.898 1.00 0.00 H new ATOM 1135 N SER A 78 10.956 6.632 -3.506 1.00 0.00 N ATOM 1136 CA SER A 78 11.603 7.929 -3.345 1.00 0.00 C ATOM 1137 C SER A 78 10.693 9.054 -3.829 1.00 0.00 C ATOM 1138 O SER A 78 9.912 8.876 -4.765 1.00 0.00 O ATOM 1139 CB SER A 78 12.925 7.962 -4.114 1.00 0.00 C ATOM 1140 OG SER A 78 13.705 6.811 -3.836 1.00 0.00 O ATOM 0 H SER A 78 10.896 6.307 -4.471 1.00 0.00 H new ATOM 0 HA SER A 78 11.804 8.078 -2.284 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.726 8.021 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.484 8.858 -3.844 1.00 0.00 H new ATOM 0 HG SER A 78 14.544 6.855 -4.341 1.00 0.00 H new ATOM 1146 N CYS A 79 10.799 10.210 -3.184 1.00 0.00 N ATOM 1147 CA CYS A 79 9.985 11.365 -3.547 1.00 0.00 C ATOM 1148 C CYS A 79 10.862 12.579 -3.837 1.00 0.00 C ATOM 1149 O CYS A 79 11.614 13.034 -2.975 1.00 0.00 O ATOM 1150 CB CYS A 79 8.997 11.691 -2.426 1.00 0.00 C ATOM 1151 SG CYS A 79 7.670 12.817 -2.917 1.00 0.00 S ATOM 0 H CYS A 79 11.440 10.373 -2.407 1.00 0.00 H new ATOM 0 HA CYS A 79 9.429 11.117 -4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.556 10.763 -2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.543 12.132 -1.592 1.00 0.00 H new ATOM 0 HG CYS A 79 6.885 13.031 -1.903 1.00 0.00 H new ATOM 1157 N MET A 80 10.762 13.097 -5.056 1.00 0.00 N ATOM 1158 CA MET A 80 11.547 14.258 -5.459 1.00 0.00 C ATOM 1159 C MET A 80 10.740 15.543 -5.300 1.00 0.00 C ATOM 1160 O MET A 80 9.648 15.674 -5.856 1.00 0.00 O ATOM 1161 CB MET A 80 12.009 14.109 -6.910 1.00 0.00 C ATOM 1162 CG MET A 80 12.683 12.778 -7.200 1.00 0.00 C ATOM 1163 SD MET A 80 11.503 11.427 -7.380 1.00 0.00 S ATOM 1164 CE MET A 80 12.401 10.087 -6.601 1.00 0.00 C ATOM 0 H MET A 80 10.146 12.732 -5.782 1.00 0.00 H new ATOM 0 HA MET A 80 12.421 14.317 -4.810 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.149 14.223 -7.570 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.702 14.917 -7.147 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.272 12.865 -8.113 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.378 12.544 -6.393 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.699 9.317 -6.280 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.108 9.660 -7.313 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.943 10.467 -5.735 1.00 0.00 H new ATOM 1174 N CYS A 81 11.282 16.486 -4.538 1.00 0.00 N ATOM 1175 CA CYS A 81 10.611 17.760 -4.305 1.00 0.00 C ATOM 1176 C CYS A 81 11.570 18.927 -4.516 1.00 0.00 C ATOM 1177 O CYS A 81 12.412 19.213 -3.666 1.00 0.00 O ATOM 1178 CB CYS A 81 10.037 17.806 -2.888 1.00 0.00 C ATOM 1179 SG CYS A 81 9.297 19.394 -2.443 1.00 0.00 S ATOM 0 H CYS A 81 12.184 16.393 -4.071 1.00 0.00 H new ATOM 0 HA CYS A 81 9.796 17.849 -5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.283 17.025 -2.787 1.00 0.00 H new ATOM 0 HB3 CYS A 81 10.831 17.576 -2.178 1.00 0.00 H new ATOM 0 HG CYS A 81 10.235 20.281 -2.286 1.00 0.00 H new ATOM 1185 N GLY A 82 11.438 19.596 -5.658 1.00 0.00 N ATOM 1186 CA GLY A 82 12.300 20.723 -5.961 1.00 0.00 C ATOM 1187 C GLY A 82 13.732 20.302 -6.228 1.00 0.00 C ATOM 1188 O GLY A 82 14.081 19.948 -7.354 1.00 0.00 O ATOM 0 H GLY A 82 10.750 19.377 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.911 21.250 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.280 21.426 -5.128 1.00 0.00 H new ATOM 1192 N GLN A 83 14.562 20.341 -5.191 1.00 0.00 N ATOM 1193 CA GLN A 83 15.964 19.962 -5.320 1.00 0.00 C ATOM 1194 C GLN A 83 16.303 18.802 -4.390 1.00 0.00 C ATOM 1195 O GLN A 83 17.136 17.957 -4.714 1.00 0.00 O ATOM 1196 CB GLN A 83 16.867 21.158 -5.015 1.00 0.00 C ATOM 1197 CG GLN A 83 16.765 22.276 -6.040 1.00 0.00 C ATOM 1198 CD GLN A 83 17.321 21.879 -7.393 1.00 0.00 C ATOM 1199 OE1 GLN A 83 17.595 20.705 -7.645 1.00 0.00 O ATOM 1200 NE2 GLN A 83 17.489 22.858 -8.275 1.00 0.00 N ATOM 0 H GLN A 83 14.288 20.631 -4.252 1.00 0.00 H new ATOM 0 HA GLN A 83 16.134 19.640 -6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.612 21.554 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.901 20.818 -4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.721 22.567 -6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.302 23.151 -5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.249 23.817 -8.024 1.00 0.00 H new ATOM 0 HE22 GLN A 83 17.858 22.651 -9.203 1.00 0.00 H new ATOM 1209 N GLU A 84 15.652 18.770 -3.231 1.00 0.00 N ATOM 1210 CA GLU A 84 15.886 17.714 -2.253 1.00 0.00 C ATOM 1211 C GLU A 84 15.188 16.423 -2.668 1.00 0.00 C ATOM 1212 O GLU A 84 14.350 16.421 -3.571 1.00 0.00 O ATOM 1213 CB GLU A 84 15.395 18.151 -0.871 1.00 0.00 C ATOM 1214 CG GLU A 84 16.449 18.878 -0.052 1.00 0.00 C ATOM 1215 CD GLU A 84 17.750 18.106 0.042 1.00 0.00 C ATOM 1216 OE1 GLU A 84 17.719 16.948 0.510 1.00 0.00 O ATOM 1217 OE2 GLU A 84 18.799 18.658 -0.351 1.00 0.00 O ATOM 0 H GLU A 84 14.959 19.463 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 84 16.959 17.527 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.528 18.801 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.060 17.273 -0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.641 19.854 -0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.064 19.057 0.952 1.00 0.00 H new ATOM 1224 N ARG A 85 15.539 15.327 -2.004 1.00 0.00 N ATOM 1225 CA ARG A 85 14.948 14.029 -2.305 1.00 0.00 C ATOM 1226 C ARG A 85 15.055 13.091 -1.105 1.00 0.00 C ATOM 1227 O ARG A 85 15.992 13.184 -0.312 1.00 0.00 O ATOM 1228 CB ARG A 85 15.634 13.401 -3.519 1.00 0.00 C ATOM 1229 CG ARG A 85 15.329 11.922 -3.694 1.00 0.00 C ATOM 1230 CD ARG A 85 16.259 11.278 -4.711 1.00 0.00 C ATOM 1231 NE ARG A 85 17.538 10.896 -4.119 1.00 0.00 N ATOM 1232 CZ ARG A 85 18.586 10.494 -4.829 1.00 0.00 C ATOM 1233 NH1 ARG A 85 18.507 10.424 -6.151 1.00 0.00 N ATOM 1234 NH2 ARG A 85 19.716 10.163 -4.217 1.00 0.00 N ATOM 0 H ARG A 85 16.230 15.312 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 85 13.893 14.183 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.325 13.936 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.712 13.532 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.428 11.413 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.295 11.798 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.778 10.396 -5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.433 11.972 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 85 17.632 10.940 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.640 10.679 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.313 10.115 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.780 10.217 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.520 9.854 -4.763 1.00 0.00 H new ATOM 1248 N THR A 86 14.087 12.189 -0.978 1.00 0.00 N ATOM 1249 CA THR A 86 14.071 11.236 0.125 1.00 0.00 C ATOM 1250 C THR A 86 13.488 9.897 -0.313 1.00 0.00 C ATOM 1251 O THR A 86 12.830 9.806 -1.350 1.00 0.00 O ATOM 1252 CB THR A 86 13.257 11.771 1.318 1.00 0.00 C ATOM 1253 OG1 THR A 86 13.472 10.945 2.468 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.773 11.812 0.986 1.00 0.00 C ATOM 0 H THR A 86 13.304 12.098 -1.625 1.00 0.00 H new ATOM 0 HA THR A 86 15.106 11.095 0.435 1.00 0.00 H new ATOM 0 HB THR A 86 13.593 12.786 1.533 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.386 11.486 3.280 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.219 12.193 1.844 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.610 12.465 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.426 10.807 0.747 1.00 0.00 H new ATOM 1262 N SER A 87 13.733 8.861 0.482 1.00 0.00 N ATOM 1263 CA SER A 87 13.235 7.526 0.174 1.00 0.00 C ATOM 1264 C SER A 87 12.894 6.765 1.452 1.00 0.00 C ATOM 1265 O SER A 87 13.437 7.047 2.519 1.00 0.00 O ATOM 1266 CB SER A 87 14.272 6.746 -0.636 1.00 0.00 C ATOM 1267 OG SER A 87 15.407 6.434 0.154 1.00 0.00 O ATOM 0 H SER A 87 14.274 8.920 1.345 1.00 0.00 H new ATOM 0 HA SER A 87 12.326 7.632 -0.419 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.825 5.827 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.578 7.333 -1.502 1.00 0.00 H new ATOM 0 HG SER A 87 15.934 5.738 -0.291 1.00 0.00 H new ATOM 1273 N ALA A 88 11.988 5.799 1.334 1.00 0.00 N ATOM 1274 CA ALA A 88 11.575 4.996 2.478 1.00 0.00 C ATOM 1275 C ALA A 88 11.256 3.565 2.057 1.00 0.00 C ATOM 1276 O ALA A 88 10.426 3.336 1.177 1.00 0.00 O ATOM 1277 CB ALA A 88 10.371 5.629 3.159 1.00 0.00 C ATOM 0 H ALA A 88 11.527 5.554 0.458 1.00 0.00 H new ATOM 0 HA ALA A 88 12.403 4.963 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.073 5.019 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.632 6.630 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.544 5.692 2.451 1.00 0.00 H new ATOM 1283 N THR A 89 11.921 2.605 2.692 1.00 0.00 N ATOM 1284 CA THR A 89 11.710 1.196 2.382 1.00 0.00 C ATOM 1285 C THR A 89 10.377 0.706 2.935 1.00 0.00 C ATOM 1286 O THR A 89 10.166 0.686 4.148 1.00 0.00 O ATOM 1287 CB THR A 89 12.842 0.320 2.951 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.106 0.763 2.444 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.629 -1.142 2.589 1.00 0.00 C ATOM 0 H THR A 89 12.610 2.777 3.424 1.00 0.00 H new ATOM 0 HA THR A 89 11.704 1.108 1.296 1.00 0.00 H new ATOM 0 HB THR A 89 12.833 0.414 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.821 0.202 2.812 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.441 -1.741 3.002 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.680 -1.484 3.001 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.614 -1.250 1.504 1.00 0.00 H new ATOM 1297 N LEU A 90 9.480 0.311 2.038 1.00 0.00 N ATOM 1298 CA LEU A 90 8.165 -0.181 2.437 1.00 0.00 C ATOM 1299 C LEU A 90 8.246 -1.629 2.911 1.00 0.00 C ATOM 1300 O LEU A 90 8.984 -2.438 2.347 1.00 0.00 O ATOM 1301 CB LEU A 90 7.182 -0.068 1.271 1.00 0.00 C ATOM 1302 CG LEU A 90 5.899 -0.891 1.393 1.00 0.00 C ATOM 1303 CD1 LEU A 90 4.837 -0.114 2.157 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.385 -1.286 0.016 1.00 0.00 C ATOM 0 H LEU A 90 9.639 0.322 1.030 1.00 0.00 H new ATOM 0 HA LEU A 90 7.810 0.433 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.908 0.980 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.696 -0.367 0.358 1.00 0.00 H new ATOM 0 HG LEU A 90 6.126 -1.801 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.931 -0.715 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.205 0.118 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.614 0.813 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.472 -1.871 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.175 -0.388 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.140 -1.882 -0.497 1.00 0.00 H new ATOM 1316 N THR A 91 7.481 -1.950 3.949 1.00 0.00 N ATOM 1317 CA THR A 91 7.465 -3.300 4.498 1.00 0.00 C ATOM 1318 C THR A 91 6.195 -4.042 4.097 1.00 0.00 C ATOM 1319 O THR A 91 5.086 -3.610 4.413 1.00 0.00 O ATOM 1320 CB THR A 91 7.573 -3.283 6.034 1.00 0.00 C ATOM 1321 OG1 THR A 91 8.681 -2.471 6.439 1.00 0.00 O ATOM 1322 CG2 THR A 91 7.745 -4.693 6.580 1.00 0.00 C ATOM 0 H THR A 91 6.864 -1.293 4.427 1.00 0.00 H new ATOM 0 HA THR A 91 8.331 -3.819 4.086 1.00 0.00 H new ATOM 0 HB THR A 91 6.650 -2.864 6.436 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.741 -2.464 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.819 -4.656 7.667 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.886 -5.301 6.295 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.653 -5.134 6.169 1.00 0.00 H new ATOM 1330 N VAL A 92 6.363 -5.161 3.400 1.00 0.00 N ATOM 1331 CA VAL A 92 5.230 -5.964 2.958 1.00 0.00 C ATOM 1332 C VAL A 92 5.319 -7.386 3.499 1.00 0.00 C ATOM 1333 O VAL A 92 6.238 -8.133 3.161 1.00 0.00 O ATOM 1334 CB VAL A 92 5.145 -6.016 1.421 1.00 0.00 C ATOM 1335 CG1 VAL A 92 3.988 -6.900 0.980 1.00 0.00 C ATOM 1336 CG2 VAL A 92 5.004 -4.614 0.848 1.00 0.00 C ATOM 0 H VAL A 92 7.274 -5.532 3.129 1.00 0.00 H new ATOM 0 HA VAL A 92 4.332 -5.486 3.349 1.00 0.00 H new ATOM 0 HB VAL A 92 6.069 -6.449 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.943 -6.925 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.137 -7.911 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.054 -6.499 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.945 -4.669 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.097 -4.151 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.868 -4.015 1.135 1.00 0.00 H new ATOM 1346 N ARG A 93 4.359 -7.755 4.341 1.00 0.00 N ATOM 1347 CA ARG A 93 4.330 -9.088 4.930 1.00 0.00 C ATOM 1348 C ARG A 93 3.641 -10.080 3.997 1.00 0.00 C ATOM 1349 O ARG A 93 2.507 -9.861 3.570 1.00 0.00 O ATOM 1350 CB ARG A 93 3.610 -9.057 6.279 1.00 0.00 C ATOM 1351 CG ARG A 93 4.532 -8.775 7.455 1.00 0.00 C ATOM 1352 CD ARG A 93 3.776 -8.803 8.774 1.00 0.00 C ATOM 1353 NE ARG A 93 3.454 -10.165 9.192 1.00 0.00 N ATOM 1354 CZ ARG A 93 2.751 -10.453 10.282 1.00 0.00 C ATOM 1355 NH1 ARG A 93 2.299 -9.478 11.059 1.00 0.00 N ATOM 1356 NH2 ARG A 93 2.499 -11.717 10.595 1.00 0.00 N ATOM 0 H ARG A 93 3.591 -7.149 4.630 1.00 0.00 H new ATOM 0 HA ARG A 93 5.359 -9.413 5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.831 -8.295 6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.114 -10.014 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.332 -9.515 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.002 -7.800 7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.375 -8.319 9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.856 -8.227 8.677 1.00 0.00 H new ATOM 0 HE ARG A 93 3.787 -10.938 8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.491 -8.505 10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.759 -9.701 11.895 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.845 -12.469 9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.959 -11.937 11.432 1.00 0.00 H new ATOM 1370 N ALA A 94 4.334 -11.170 3.684 1.00 0.00 N ATOM 1371 CA ALA A 94 3.789 -12.195 2.803 1.00 0.00 C ATOM 1372 C ALA A 94 2.715 -13.014 3.512 1.00 0.00 C ATOM 1373 O ALA A 94 2.848 -13.342 4.692 1.00 0.00 O ATOM 1374 CB ALA A 94 4.900 -13.103 2.299 1.00 0.00 C ATOM 0 H ALA A 94 5.274 -11.366 4.028 1.00 0.00 H new ATOM 0 HA ALA A 94 3.326 -11.698 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.478 -13.864 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.631 -12.512 1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.388 -13.585 3.146 1.00 0.00 H new ATOM 1380 N LEU A 95 1.651 -13.339 2.787 1.00 0.00 N ATOM 1381 CA LEU A 95 0.553 -14.119 3.347 1.00 0.00 C ATOM 1382 C LEU A 95 1.065 -15.420 3.958 1.00 0.00 C ATOM 1383 O LEU A 95 2.090 -15.966 3.548 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.486 -14.424 2.266 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.276 -13.227 1.737 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -2.664 -13.658 1.291 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.368 -12.139 2.797 1.00 0.00 C ATOM 0 H LEU A 95 1.525 -13.075 1.810 1.00 0.00 H new ATOM 0 HA LEU A 95 0.086 -13.528 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.022 -14.899 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.192 -15.152 2.664 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.749 -12.822 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.211 -12.792 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.577 -14.402 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.200 -14.089 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.934 -11.294 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.871 -12.533 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.365 -11.809 3.068 1.00 0.00 H new ATOM 1399 N PRO A 96 0.335 -15.931 4.960 1.00 0.00 N ATOM 1400 CA PRO A 96 0.694 -17.175 5.646 1.00 0.00 C ATOM 1401 C PRO A 96 0.512 -18.401 4.758 1.00 0.00 C ATOM 1402 O PRO A 96 -0.569 -18.633 4.218 1.00 0.00 O ATOM 1403 CB PRO A 96 -0.278 -17.222 6.828 1.00 0.00 C ATOM 1404 CG PRO A 96 -1.450 -16.416 6.386 1.00 0.00 C ATOM 1405 CD PRO A 96 -0.898 -15.334 5.500 1.00 0.00 C ATOM 0 HA PRO A 96 1.744 -17.190 5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.568 -18.246 7.062 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.173 -16.805 7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.167 -17.034 5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.976 -15.990 7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.597 -15.069 4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.691 -14.422 6.060 1.00 0.00 H new ATOM 1413 N ALA A 97 1.577 -19.183 4.611 1.00 0.00 N ATOM 1414 CA ALA A 97 1.533 -20.387 3.790 1.00 0.00 C ATOM 1415 C ALA A 97 0.222 -21.140 3.989 1.00 0.00 C ATOM 1416 O ALA A 97 -0.540 -21.339 3.044 1.00 0.00 O ATOM 1417 CB ALA A 97 2.716 -21.288 4.112 1.00 0.00 C ATOM 0 H ALA A 97 2.480 -19.004 5.050 1.00 0.00 H new ATOM 0 HA ALA A 97 1.593 -20.086 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.671 -22.183 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.645 -20.754 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.681 -21.573 5.164 1.00 0.00 H new ATOM 1423 N ARG A 98 -0.034 -21.557 5.225 1.00 0.00 N ATOM 1424 CA ARG A 98 -1.252 -22.290 5.547 1.00 0.00 C ATOM 1425 C ARG A 98 -2.033 -21.588 6.654 1.00 0.00 C ATOM 1426 O ARG A 98 -1.502 -20.720 7.348 1.00 0.00 O ATOM 1427 CB ARG A 98 -0.914 -23.720 5.976 1.00 0.00 C ATOM 1428 CG ARG A 98 -0.277 -24.551 4.874 1.00 0.00 C ATOM 1429 CD ARG A 98 -1.327 -25.174 3.968 1.00 0.00 C ATOM 1430 NE ARG A 98 -0.732 -26.053 2.965 1.00 0.00 N ATOM 1431 CZ ARG A 98 -1.426 -26.633 1.992 1.00 0.00 C ATOM 1432 NH1 ARG A 98 -2.732 -26.428 1.891 1.00 0.00 N ATOM 1433 NH2 ARG A 98 -0.813 -27.419 1.116 1.00 0.00 N ATOM 0 H ARG A 98 0.586 -21.400 6.019 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.873 -22.323 4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.237 -23.684 6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.825 -24.215 6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.389 -23.923 4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.335 -25.337 5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.036 -25.740 4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.891 -24.385 3.470 1.00 0.00 H new ATOM 0 HE ARG A 98 0.271 -26.231 3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.207 -25.823 2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.262 -26.875 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.192 -27.578 1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.347 -27.864 0.369 1.00 0.00 H new ATOM 1447 N PHE A 99 -3.296 -21.968 6.813 1.00 0.00 N ATOM 1448 CA PHE A 99 -4.151 -21.373 7.833 1.00 0.00 C ATOM 1449 C PHE A 99 -4.204 -22.253 9.079 1.00 0.00 C ATOM 1450 O PHE A 99 -4.822 -23.318 9.075 1.00 0.00 O ATOM 1451 CB PHE A 99 -5.564 -21.160 7.285 1.00 0.00 C ATOM 1452 CG PHE A 99 -5.589 -20.532 5.921 1.00 0.00 C ATOM 1453 CD1 PHE A 99 -5.592 -19.154 5.778 1.00 0.00 C ATOM 1454 CD2 PHE A 99 -5.609 -21.320 4.782 1.00 0.00 C ATOM 1455 CE1 PHE A 99 -5.616 -18.574 4.524 1.00 0.00 C ATOM 1456 CE2 PHE A 99 -5.633 -20.746 3.525 1.00 0.00 C ATOM 1457 CZ PHE A 99 -5.635 -19.371 3.396 1.00 0.00 C ATOM 0 H PHE A 99 -3.750 -22.686 6.248 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.727 -20.408 8.109 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.078 -22.120 7.244 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.122 -20.529 7.977 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.575 -18.526 6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.606 -22.396 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.620 -17.498 4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.650 -21.372 2.645 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.651 -18.920 2.415 1.00 0.00 H new ATOM 1467 N THR A 100 -3.549 -21.801 10.144 1.00 0.00 N ATOM 1468 CA THR A 100 -3.520 -22.547 11.396 1.00 0.00 C ATOM 1469 C THR A 100 -4.857 -23.229 11.662 1.00 0.00 C ATOM 1470 O THR A 100 -5.916 -22.640 11.451 1.00 0.00 O ATOM 1471 CB THR A 100 -3.177 -21.632 12.587 1.00 0.00 C ATOM 1472 OG1 THR A 100 -2.926 -22.421 13.755 1.00 0.00 O ATOM 1473 CG2 THR A 100 -4.311 -20.656 12.863 1.00 0.00 C ATOM 0 H THR A 100 -3.032 -20.922 10.164 1.00 0.00 H new ATOM 0 HA THR A 100 -2.743 -23.305 11.294 1.00 0.00 H new ATOM 0 HB THR A 100 -2.282 -21.064 12.334 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.707 -21.832 14.507 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.046 -20.020 13.708 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.481 -20.037 11.982 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.220 -21.211 13.097 1.00 0.00 H new ATOM 1481 N GLU A 101 -4.799 -24.473 12.127 1.00 0.00 N ATOM 1482 CA GLU A 101 -6.007 -25.235 12.421 1.00 0.00 C ATOM 1483 C GLU A 101 -6.614 -24.800 13.752 1.00 0.00 C ATOM 1484 O GLU A 101 -7.829 -24.652 13.874 1.00 0.00 O ATOM 1485 CB GLU A 101 -5.697 -26.733 12.455 1.00 0.00 C ATOM 1486 CG GLU A 101 -6.937 -27.611 12.455 1.00 0.00 C ATOM 1487 CD GLU A 101 -7.754 -27.468 11.186 1.00 0.00 C ATOM 1488 OE1 GLU A 101 -7.276 -27.912 10.121 1.00 0.00 O ATOM 1489 OE2 GLU A 101 -8.869 -26.912 11.258 1.00 0.00 O ATOM 0 H GLU A 101 -3.929 -24.974 12.308 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.731 -25.039 11.630 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -5.082 -26.988 11.592 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -5.106 -26.953 13.344 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.640 -28.653 12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.558 -27.355 13.313 1.00 0.00 H new ATOM 1496 N GLY A 102 -5.757 -24.596 14.748 1.00 0.00 N ATOM 1497 CA GLY A 102 -6.226 -24.180 16.057 1.00 0.00 C ATOM 1498 C GLY A 102 -6.309 -25.335 17.036 1.00 0.00 C ATOM 1499 O GLY A 102 -5.626 -26.345 16.874 1.00 0.00 O ATOM 0 H GLY A 102 -4.746 -24.711 14.672 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.556 -23.418 16.455 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.209 -23.720 15.958 1.00 0.00 H new ATOM 1503 N SER A 103 -7.148 -25.184 18.056 1.00 0.00 N ATOM 1504 CA SER A 103 -7.314 -26.220 19.069 1.00 0.00 C ATOM 1505 C SER A 103 -8.743 -26.234 19.603 1.00 0.00 C ATOM 1506 O SER A 103 -9.486 -25.267 19.445 1.00 0.00 O ATOM 1507 CB SER A 103 -6.329 -26.000 20.220 1.00 0.00 C ATOM 1508 OG SER A 103 -4.989 -26.108 19.772 1.00 0.00 O ATOM 0 H SER A 103 -7.723 -24.355 18.203 1.00 0.00 H new ATOM 0 HA SER A 103 -7.109 -27.184 18.604 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.491 -25.015 20.658 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.513 -26.733 21.006 1.00 0.00 H new ATOM 0 HG SER A 103 -4.379 -25.962 20.525 1.00 0.00 H new ATOM 1514 N GLY A 104 -9.120 -27.340 20.237 1.00 0.00 N ATOM 1515 CA GLY A 104 -10.459 -27.461 20.784 1.00 0.00 C ATOM 1516 C GLY A 104 -10.479 -27.348 22.296 1.00 0.00 C ATOM 1517 O GLY A 104 -9.551 -27.774 22.984 1.00 0.00 O ATOM 0 H GLY A 104 -8.523 -28.154 20.382 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.095 -26.686 20.356 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.884 -28.420 20.489 1.00 0.00 H new ATOM 1521 N PRO A 105 -11.557 -26.760 22.835 1.00 0.00 N ATOM 1522 CA PRO A 105 -11.720 -26.577 24.280 1.00 0.00 C ATOM 1523 C PRO A 105 -11.954 -27.896 25.008 1.00 0.00 C ATOM 1524 O PRO A 105 -12.859 -28.655 24.662 1.00 0.00 O ATOM 1525 CB PRO A 105 -12.955 -25.680 24.387 1.00 0.00 C ATOM 1526 CG PRO A 105 -13.724 -25.943 23.139 1.00 0.00 C ATOM 1527 CD PRO A 105 -12.701 -26.228 22.074 1.00 0.00 C ATOM 0 HA PRO A 105 -10.828 -26.153 24.741 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -13.543 -25.921 25.273 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -12.675 -24.629 24.466 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -14.399 -26.789 23.268 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.338 -25.083 22.870 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -13.070 -26.950 21.345 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -12.433 -25.327 21.523 1.00 0.00 H new ATOM 1535 N SER A 106 -11.133 -28.162 26.019 1.00 0.00 N ATOM 1536 CA SER A 106 -11.250 -29.392 26.795 1.00 0.00 C ATOM 1537 C SER A 106 -12.615 -29.481 27.470 1.00 0.00 C ATOM 1538 O SER A 106 -13.367 -28.508 27.505 1.00 0.00 O ATOM 1539 CB SER A 106 -10.142 -29.463 27.847 1.00 0.00 C ATOM 1540 OG SER A 106 -8.863 -29.326 27.252 1.00 0.00 O ATOM 0 H SER A 106 -10.380 -27.543 26.320 1.00 0.00 H new ATOM 0 HA SER A 106 -11.147 -30.235 26.112 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.288 -28.676 28.587 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.200 -30.414 28.377 1.00 0.00 H new ATOM 0 HG SER A 106 -8.173 -29.373 27.946 1.00 0.00 H new ATOM 1546 N SER A 107 -12.927 -30.657 28.005 1.00 0.00 N ATOM 1547 CA SER A 107 -14.203 -30.876 28.677 1.00 0.00 C ATOM 1548 C SER A 107 -13.992 -31.199 30.153 1.00 0.00 C ATOM 1549 O SER A 107 -12.889 -31.549 30.571 1.00 0.00 O ATOM 1550 CB SER A 107 -14.971 -32.013 27.999 1.00 0.00 C ATOM 1551 OG SER A 107 -14.185 -33.189 27.930 1.00 0.00 O ATOM 0 H SER A 107 -12.314 -31.472 27.986 1.00 0.00 H new ATOM 0 HA SER A 107 -14.786 -29.958 28.604 1.00 0.00 H new ATOM 0 HB2 SER A 107 -15.888 -32.217 28.552 1.00 0.00 H new ATOM 0 HB3 SER A 107 -15.265 -31.709 26.994 1.00 0.00 H new ATOM 0 HG SER A 107 -14.699 -33.901 27.494 1.00 0.00 H new ATOM 1557 N GLY A 108 -15.059 -31.079 30.937 1.00 0.00 N ATOM 1558 CA GLY A 108 -14.970 -31.361 32.358 1.00 0.00 C ATOM 1559 C GLY A 108 -14.842 -32.843 32.648 1.00 0.00 C ATOM 1560 O GLY A 108 -13.763 -33.323 32.995 1.00 0.00 O ATOM 0 H GLY A 108 -15.983 -30.792 30.614 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.111 -30.837 32.776 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -15.856 -30.971 32.859 1.00 0.00 H new TER 1564 GLY A 108