USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=37 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 57 GLN : amide:sc= 0.123 K(o=0.83,f=-6.9!) USER MOD Set 1.2: A 62 CYS SG : rot -94:sc= 0.703 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 54 SER OG : rot 126:sc= 0.707 USER MOD Set 2.3: A 67 HIS : no HE2:sc= 0.61 K(o=1.3,f=-1.4) USER MOD Set 3.1: A 41 LYS NZ :NH3+ -121:sc= 0 (180deg=0) USER MOD Set 3.2: A 80 MET CE :methyl 147:sc= 0 (180deg=-0.873) USER MOD Set 4.1: A 18 LYS NZ :NH3+ 149:sc= -0.366 (180deg=-1.41!) USER MOD Set 4.2: A 27 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.216 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= 0.0146 USER MOD Single : A 12 THR OG1 : rot 122:sc=-0.00536 USER MOD Single : A 13 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.59) USER MOD Single : A 16 LYS NZ :NH3+ -143:sc= -0.0989 (180deg=-0.451) USER MOD Single : A 17 THR OG1 : rot 130:sc= -0.358! USER MOD Single : A 21 SER OG : rot 180:sc= -0.788 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.769 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0.543 (180deg=0.535) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0687) USER MOD Single : A 46 THR OG1 : rot -110:sc= -1.03 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00321) USER MOD Single : A 60 THR OG1 : rot 49:sc= 0.305 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 USER MOD Single : A 77 TYR OH : rot -18:sc= 1.32 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 106:sc= 0.644 USER MOD Single : A 81 CYS SG : rot -50:sc= -2.89 USER MOD Single : A 83 GLN : amide:sc= -0.961 K(o=-0.96,f=-2.5!) USER MOD Single : A 86 THR OG1 : rot 110:sc= -0.584 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 20.687 34.831 5.636 1.00 0.00 N ATOM 2 CA GLY A 1 19.348 35.384 5.724 1.00 0.00 C ATOM 3 C GLY A 1 19.182 36.636 4.886 1.00 0.00 C ATOM 4 O GLY A 1 19.958 37.583 5.012 1.00 0.00 O ATOM 0 H1 GLY A 1 20.749 33.977 6.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.897 34.585 4.648 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.376 35.534 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.627 34.634 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.121 35.614 6.765 1.00 0.00 H new ATOM 8 N SER A 2 18.168 36.641 4.027 1.00 0.00 N ATOM 9 CA SER A 2 17.905 37.785 3.161 1.00 0.00 C ATOM 10 C SER A 2 16.425 37.864 2.799 1.00 0.00 C ATOM 11 O SER A 2 15.663 36.930 3.048 1.00 0.00 O ATOM 12 CB SER A 2 18.749 37.692 1.889 1.00 0.00 C ATOM 13 OG SER A 2 18.562 38.832 1.068 1.00 0.00 O ATOM 0 H SER A 2 17.515 35.866 3.912 1.00 0.00 H new ATOM 0 HA SER A 2 18.177 38.691 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.802 37.600 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.479 36.793 1.335 1.00 0.00 H new ATOM 0 HG SER A 2 19.114 38.749 0.262 1.00 0.00 H new ATOM 19 N SER A 3 16.026 38.986 2.210 1.00 0.00 N ATOM 20 CA SER A 3 14.637 39.190 1.816 1.00 0.00 C ATOM 21 C SER A 3 14.463 38.993 0.313 1.00 0.00 C ATOM 22 O SER A 3 13.740 39.741 -0.343 1.00 0.00 O ATOM 23 CB SER A 3 14.172 40.592 2.215 1.00 0.00 C ATOM 24 OG SER A 3 14.005 40.694 3.619 1.00 0.00 O ATOM 0 H SER A 3 16.645 39.768 1.995 1.00 0.00 H new ATOM 0 HA SER A 3 14.026 38.451 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.900 41.330 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.231 40.822 1.716 1.00 0.00 H new ATOM 0 HG SER A 3 13.709 41.600 3.848 1.00 0.00 H new ATOM 30 N GLY A 4 15.134 37.979 -0.226 1.00 0.00 N ATOM 31 CA GLY A 4 15.042 37.701 -1.647 1.00 0.00 C ATOM 32 C GLY A 4 14.050 36.598 -1.959 1.00 0.00 C ATOM 33 O GLY A 4 12.915 36.622 -1.484 1.00 0.00 O ATOM 0 H GLY A 4 15.739 37.346 0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.748 38.609 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.025 37.418 -2.023 1.00 0.00 H new ATOM 37 N SER A 5 14.479 35.628 -2.761 1.00 0.00 N ATOM 38 CA SER A 5 13.619 34.514 -3.140 1.00 0.00 C ATOM 39 C SER A 5 14.000 33.249 -2.377 1.00 0.00 C ATOM 40 O SER A 5 15.137 33.099 -1.929 1.00 0.00 O ATOM 41 CB SER A 5 13.710 34.261 -4.646 1.00 0.00 C ATOM 42 OG SER A 5 14.991 33.771 -5.004 1.00 0.00 O ATOM 0 H SER A 5 15.417 35.592 -3.160 1.00 0.00 H new ATOM 0 HA SER A 5 12.593 34.777 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.946 33.543 -4.944 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.507 35.186 -5.186 1.00 0.00 H new ATOM 0 HG SER A 5 15.023 33.616 -5.971 1.00 0.00 H new ATOM 48 N SER A 6 13.040 32.341 -2.231 1.00 0.00 N ATOM 49 CA SER A 6 13.273 31.090 -1.519 1.00 0.00 C ATOM 50 C SER A 6 13.687 29.984 -2.485 1.00 0.00 C ATOM 51 O SER A 6 14.680 29.291 -2.264 1.00 0.00 O ATOM 52 CB SER A 6 12.015 30.672 -0.756 1.00 0.00 C ATOM 53 OG SER A 6 10.863 30.775 -1.576 1.00 0.00 O ATOM 0 H SER A 6 12.094 32.448 -2.596 1.00 0.00 H new ATOM 0 HA SER A 6 14.084 31.250 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.124 29.646 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.895 31.301 0.126 1.00 0.00 H new ATOM 0 HG SER A 6 10.073 30.501 -1.066 1.00 0.00 H new ATOM 59 N GLY A 7 12.917 29.824 -3.557 1.00 0.00 N ATOM 60 CA GLY A 7 13.219 28.801 -4.541 1.00 0.00 C ATOM 61 C GLY A 7 12.284 27.611 -4.446 1.00 0.00 C ATOM 62 O GLY A 7 11.166 27.712 -3.942 1.00 0.00 O ATOM 0 H GLY A 7 12.090 30.384 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.154 29.232 -5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.247 28.463 -4.406 1.00 0.00 H new ATOM 66 N PRO A 8 12.743 26.452 -4.942 1.00 0.00 N ATOM 67 CA PRO A 8 11.955 25.216 -4.923 1.00 0.00 C ATOM 68 C PRO A 8 11.783 24.659 -3.514 1.00 0.00 C ATOM 69 O PRO A 8 12.692 24.742 -2.689 1.00 0.00 O ATOM 70 CB PRO A 8 12.781 24.255 -5.781 1.00 0.00 C ATOM 71 CG PRO A 8 14.178 24.764 -5.681 1.00 0.00 C ATOM 72 CD PRO A 8 14.066 26.259 -5.558 1.00 0.00 C ATOM 0 HA PRO A 8 10.941 25.374 -5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.705 23.232 -5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.435 24.249 -6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.688 24.338 -4.817 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.758 24.487 -6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.862 26.672 -4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.132 26.748 -6.530 1.00 0.00 H new ATOM 80 N ALA A 9 10.612 24.091 -3.246 1.00 0.00 N ATOM 81 CA ALA A 9 10.323 23.518 -1.937 1.00 0.00 C ATOM 82 C ALA A 9 11.320 22.419 -1.587 1.00 0.00 C ATOM 83 O ALA A 9 12.004 21.887 -2.461 1.00 0.00 O ATOM 84 CB ALA A 9 8.902 22.975 -1.901 1.00 0.00 C ATOM 0 H ALA A 9 9.848 24.015 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 9 10.417 24.309 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.700 22.550 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.198 23.784 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.789 22.202 -2.661 1.00 0.00 H new ATOM 90 N ARG A 10 11.398 22.084 -0.303 1.00 0.00 N ATOM 91 CA ARG A 10 12.313 21.049 0.162 1.00 0.00 C ATOM 92 C ARG A 10 11.653 20.178 1.227 1.00 0.00 C ATOM 93 O ARG A 10 10.530 20.446 1.654 1.00 0.00 O ATOM 94 CB ARG A 10 13.588 21.681 0.724 1.00 0.00 C ATOM 95 CG ARG A 10 13.331 22.692 1.829 1.00 0.00 C ATOM 96 CD ARG A 10 13.292 22.025 3.196 1.00 0.00 C ATOM 97 NE ARG A 10 13.399 22.995 4.282 1.00 0.00 N ATOM 98 CZ ARG A 10 14.531 23.604 4.615 1.00 0.00 C ATOM 99 NH1 ARG A 10 15.648 23.345 3.949 1.00 0.00 N ATOM 100 NH2 ARG A 10 14.548 24.476 5.616 1.00 0.00 N ATOM 0 H ARG A 10 10.839 22.514 0.433 1.00 0.00 H new ATOM 0 HA ARG A 10 12.572 20.419 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.235 20.893 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.128 22.171 -0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.111 23.453 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.385 23.202 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.362 21.466 3.300 1.00 0.00 H new ATOM 0 HD3 ARG A 10 14.107 21.305 3.271 1.00 0.00 H new ATOM 0 HE ARG A 10 12.558 23.217 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.639 22.676 3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.516 23.814 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.691 24.679 6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.418 24.943 5.871 1.00 0.00 H new ATOM 114 N PHE A 11 12.358 19.135 1.651 1.00 0.00 N ATOM 115 CA PHE A 11 11.840 18.223 2.665 1.00 0.00 C ATOM 116 C PHE A 11 12.308 18.636 4.058 1.00 0.00 C ATOM 117 O PHE A 11 13.468 19.001 4.254 1.00 0.00 O ATOM 118 CB PHE A 11 12.288 16.790 2.369 1.00 0.00 C ATOM 119 CG PHE A 11 11.542 16.153 1.232 1.00 0.00 C ATOM 120 CD1 PHE A 11 10.357 15.471 1.458 1.00 0.00 C ATOM 121 CD2 PHE A 11 12.027 16.234 -0.064 1.00 0.00 C ATOM 122 CE1 PHE A 11 9.669 14.883 0.414 1.00 0.00 C ATOM 123 CE2 PHE A 11 11.342 15.649 -1.112 1.00 0.00 C ATOM 124 CZ PHE A 11 10.162 14.972 -0.873 1.00 0.00 C ATOM 0 H PHE A 11 13.290 18.900 1.309 1.00 0.00 H new ATOM 0 HA PHE A 11 10.751 18.269 2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.353 16.791 2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.156 16.184 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.967 15.398 2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.950 16.760 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.747 14.354 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.729 15.721 -2.118 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.626 14.513 -1.691 1.00 0.00 H new ATOM 134 N THR A 12 11.396 18.578 5.023 1.00 0.00 N ATOM 135 CA THR A 12 11.712 18.947 6.397 1.00 0.00 C ATOM 136 C THR A 12 11.660 17.734 7.318 1.00 0.00 C ATOM 137 O THR A 12 12.238 17.744 8.405 1.00 0.00 O ATOM 138 CB THR A 12 10.744 20.022 6.927 1.00 0.00 C ATOM 139 OG1 THR A 12 9.411 19.501 6.973 1.00 0.00 O ATOM 140 CG2 THR A 12 10.780 21.263 6.048 1.00 0.00 C ATOM 0 H THR A 12 10.432 18.279 4.878 1.00 0.00 H new ATOM 0 HA THR A 12 12.724 19.352 6.391 1.00 0.00 H new ATOM 0 HB THR A 12 11.059 20.300 7.933 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.066 19.565 7.888 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.089 22.008 6.442 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.790 21.674 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.488 20.998 5.032 1.00 0.00 H new ATOM 148 N GLN A 13 10.966 16.690 6.876 1.00 0.00 N ATOM 149 CA GLN A 13 10.840 15.469 7.663 1.00 0.00 C ATOM 150 C GLN A 13 11.077 14.237 6.797 1.00 0.00 C ATOM 151 O GLN A 13 10.268 13.911 5.927 1.00 0.00 O ATOM 152 CB GLN A 13 9.455 15.394 8.308 1.00 0.00 C ATOM 153 CG GLN A 13 9.378 16.077 9.664 1.00 0.00 C ATOM 154 CD GLN A 13 10.304 15.449 10.688 1.00 0.00 C ATOM 155 OE1 GLN A 13 11.437 15.894 10.872 1.00 0.00 O ATOM 156 NE2 GLN A 13 9.825 14.409 11.360 1.00 0.00 N ATOM 0 H GLN A 13 10.483 16.665 5.978 1.00 0.00 H new ATOM 0 HA GLN A 13 11.598 15.492 8.446 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.726 15.851 7.638 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.172 14.347 8.421 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.630 17.131 9.550 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.353 16.032 10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.880 14.074 11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.402 13.945 12.061 1.00 0.00 H new ATOM 165 N ASP A 14 12.192 13.555 7.039 1.00 0.00 N ATOM 166 CA ASP A 14 12.536 12.357 6.281 1.00 0.00 C ATOM 167 C ASP A 14 11.298 11.505 6.021 1.00 0.00 C ATOM 168 O ASP A 14 10.605 11.095 6.954 1.00 0.00 O ATOM 169 CB ASP A 14 13.586 11.537 7.032 1.00 0.00 C ATOM 170 CG ASP A 14 13.307 11.463 8.520 1.00 0.00 C ATOM 171 OD1 ASP A 14 12.391 10.711 8.915 1.00 0.00 O ATOM 172 OD2 ASP A 14 14.006 12.155 9.290 1.00 0.00 O ATOM 0 H ASP A 14 12.873 13.811 7.754 1.00 0.00 H new ATOM 0 HA ASP A 14 12.948 12.669 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.617 10.528 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.570 11.978 6.871 1.00 0.00 H new ATOM 177 N LEU A 15 11.024 11.242 4.748 1.00 0.00 N ATOM 178 CA LEU A 15 9.868 10.439 4.364 1.00 0.00 C ATOM 179 C LEU A 15 9.938 9.050 4.990 1.00 0.00 C ATOM 180 O LEU A 15 11.002 8.433 5.043 1.00 0.00 O ATOM 181 CB LEU A 15 9.788 10.320 2.841 1.00 0.00 C ATOM 182 CG LEU A 15 9.021 9.113 2.301 1.00 0.00 C ATOM 183 CD1 LEU A 15 7.521 9.336 2.424 1.00 0.00 C ATOM 184 CD2 LEU A 15 9.404 8.841 0.853 1.00 0.00 C ATOM 0 H LEU A 15 11.586 11.573 3.964 1.00 0.00 H new ATOM 0 HA LEU A 15 8.972 10.939 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.323 11.225 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.803 10.287 2.445 1.00 0.00 H new ATOM 0 HG LEU A 15 9.289 8.240 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.991 8.467 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.259 9.481 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.237 10.220 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.848 7.978 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.166 9.713 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.473 8.637 0.792 1.00 0.00 H new ATOM 196 N LYS A 16 8.796 8.562 5.462 1.00 0.00 N ATOM 197 CA LYS A 16 8.725 7.244 6.083 1.00 0.00 C ATOM 198 C LYS A 16 7.679 6.374 5.393 1.00 0.00 C ATOM 199 O LYS A 16 7.030 6.803 4.438 1.00 0.00 O ATOM 200 CB LYS A 16 8.394 7.376 7.571 1.00 0.00 C ATOM 201 CG LYS A 16 9.621 7.469 8.461 1.00 0.00 C ATOM 202 CD LYS A 16 10.388 6.158 8.491 1.00 0.00 C ATOM 203 CE LYS A 16 9.559 5.040 9.106 1.00 0.00 C ATOM 204 NZ LYS A 16 9.031 5.414 10.447 1.00 0.00 N ATOM 0 H LYS A 16 7.906 9.059 5.426 1.00 0.00 H new ATOM 0 HA LYS A 16 9.698 6.765 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.779 8.263 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.796 6.518 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.273 8.265 8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.318 7.738 9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.678 5.882 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.308 6.286 9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.728 4.797 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.170 4.141 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.045 4.582 11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.624 6.163 10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.054 5.759 10.352 1.00 0.00 H new ATOM 218 N THR A 17 7.518 5.149 5.884 1.00 0.00 N ATOM 219 CA THR A 17 6.550 4.219 5.315 1.00 0.00 C ATOM 220 C THR A 17 5.932 3.340 6.396 1.00 0.00 C ATOM 221 O THR A 17 6.271 3.455 7.574 1.00 0.00 O ATOM 222 CB THR A 17 7.198 3.319 4.246 1.00 0.00 C ATOM 223 OG1 THR A 17 6.269 2.314 3.824 1.00 0.00 O ATOM 224 CG2 THR A 17 8.458 2.658 4.785 1.00 0.00 C ATOM 0 H THR A 17 8.045 4.778 6.674 1.00 0.00 H new ATOM 0 HA THR A 17 5.769 4.820 4.849 1.00 0.00 H new ATOM 0 HB THR A 17 7.471 3.943 3.395 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.224 2.300 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.897 2.028 4.012 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.174 3.425 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.206 2.047 5.652 1.00 0.00 H new ATOM 232 N LYS A 18 5.023 2.461 5.989 1.00 0.00 N ATOM 233 CA LYS A 18 4.358 1.559 6.922 1.00 0.00 C ATOM 234 C LYS A 18 4.405 0.121 6.417 1.00 0.00 C ATOM 235 O LYS A 18 4.633 -0.123 5.232 1.00 0.00 O ATOM 236 CB LYS A 18 2.904 1.990 7.131 1.00 0.00 C ATOM 237 CG LYS A 18 2.010 1.715 5.934 1.00 0.00 C ATOM 238 CD LYS A 18 1.411 0.320 5.994 1.00 0.00 C ATOM 239 CE LYS A 18 0.086 0.315 6.741 1.00 0.00 C ATOM 240 NZ LYS A 18 -0.860 1.330 6.199 1.00 0.00 N ATOM 0 H LYS A 18 4.730 2.354 5.018 1.00 0.00 H new ATOM 0 HA LYS A 18 4.886 1.608 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.502 1.471 8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.879 3.056 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.210 2.454 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.586 1.825 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.261 -0.057 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.110 -0.357 6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.365 -0.675 6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.264 0.512 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.836 0.992 6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.740 2.226 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.665 1.482 5.189 1.00 0.00 H new ATOM 254 N GLU A 19 4.186 -0.827 7.322 1.00 0.00 N ATOM 255 CA GLU A 19 4.203 -2.241 6.966 1.00 0.00 C ATOM 256 C GLU A 19 2.785 -2.794 6.866 1.00 0.00 C ATOM 257 O GLU A 19 1.936 -2.514 7.712 1.00 0.00 O ATOM 258 CB GLU A 19 5.002 -3.040 7.999 1.00 0.00 C ATOM 259 CG GLU A 19 4.310 -3.156 9.347 1.00 0.00 C ATOM 260 CD GLU A 19 4.339 -1.858 10.130 1.00 0.00 C ATOM 261 OE1 GLU A 19 5.424 -1.488 10.627 1.00 0.00 O ATOM 262 OE2 GLU A 19 3.277 -1.212 10.247 1.00 0.00 O ATOM 0 H GLU A 19 3.995 -0.642 8.307 1.00 0.00 H new ATOM 0 HA GLU A 19 4.682 -2.338 5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.187 -4.040 7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.974 -2.567 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.275 -3.461 9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.791 -3.940 9.932 1.00 0.00 H new ATOM 269 N ALA A 20 2.535 -3.581 5.824 1.00 0.00 N ATOM 270 CA ALA A 20 1.221 -4.175 5.612 1.00 0.00 C ATOM 271 C ALA A 20 1.339 -5.566 4.998 1.00 0.00 C ATOM 272 O ALA A 20 2.407 -5.959 4.529 1.00 0.00 O ATOM 273 CB ALA A 20 0.372 -3.275 4.727 1.00 0.00 C ATOM 0 H ALA A 20 3.226 -3.822 5.113 1.00 0.00 H new ATOM 0 HA ALA A 20 0.734 -4.276 6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.607 -3.731 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.250 -2.304 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.863 -3.145 3.763 1.00 0.00 H new ATOM 279 N SER A 21 0.236 -6.306 5.005 1.00 0.00 N ATOM 280 CA SER A 21 0.217 -7.656 4.452 1.00 0.00 C ATOM 281 C SER A 21 -0.182 -7.634 2.980 1.00 0.00 C ATOM 282 O SER A 21 -0.729 -6.647 2.489 1.00 0.00 O ATOM 283 CB SER A 21 -0.750 -8.540 5.242 1.00 0.00 C ATOM 284 OG SER A 21 -0.809 -9.846 4.695 1.00 0.00 O ATOM 0 H SER A 21 -0.657 -5.994 5.387 1.00 0.00 H new ATOM 0 HA SER A 21 1.222 -8.069 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.432 -8.592 6.283 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.744 -8.094 5.235 1.00 0.00 H new ATOM 0 HG SER A 21 -1.432 -10.392 5.218 1.00 0.00 H new ATOM 290 N GLU A 22 0.096 -8.731 2.282 1.00 0.00 N ATOM 291 CA GLU A 22 -0.234 -8.838 0.866 1.00 0.00 C ATOM 292 C GLU A 22 -1.688 -8.449 0.614 1.00 0.00 C ATOM 293 O GLU A 22 -2.568 -8.742 1.422 1.00 0.00 O ATOM 294 CB GLU A 22 0.018 -10.263 0.367 1.00 0.00 C ATOM 295 CG GLU A 22 1.467 -10.529 -0.007 1.00 0.00 C ATOM 296 CD GLU A 22 1.761 -12.006 -0.185 1.00 0.00 C ATOM 297 OE1 GLU A 22 0.841 -12.824 0.030 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.909 -12.345 -0.538 1.00 0.00 O ATOM 0 H GLU A 22 0.548 -9.557 2.674 1.00 0.00 H new ATOM 0 HA GLU A 22 0.408 -8.149 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.284 -10.969 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.613 -10.452 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.703 -10.001 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.119 -10.123 0.767 1.00 0.00 H new ATOM 305 N GLY A 23 -1.931 -7.786 -0.513 1.00 0.00 N ATOM 306 CA GLY A 23 -3.278 -7.367 -0.851 1.00 0.00 C ATOM 307 C GLY A 23 -3.720 -6.148 -0.065 1.00 0.00 C ATOM 308 O GLY A 23 -4.749 -5.545 -0.369 1.00 0.00 O ATOM 0 H GLY A 23 -1.219 -7.532 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.330 -7.147 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.969 -8.188 -0.661 1.00 0.00 H new ATOM 312 N ALA A 24 -2.942 -5.785 0.949 1.00 0.00 N ATOM 313 CA ALA A 24 -3.259 -4.631 1.780 1.00 0.00 C ATOM 314 C ALA A 24 -2.888 -3.330 1.076 1.00 0.00 C ATOM 315 O ALA A 24 -2.405 -3.339 -0.056 1.00 0.00 O ATOM 316 CB ALA A 24 -2.543 -4.732 3.119 1.00 0.00 C ATOM 0 H ALA A 24 -2.087 -6.274 1.215 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.335 -4.625 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.789 -3.863 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.860 -5.639 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.466 -4.766 2.954 1.00 0.00 H new ATOM 322 N THR A 25 -3.118 -2.209 1.754 1.00 0.00 N ATOM 323 CA THR A 25 -2.809 -0.900 1.194 1.00 0.00 C ATOM 324 C THR A 25 -1.821 -0.144 2.074 1.00 0.00 C ATOM 325 O THR A 25 -2.097 0.128 3.241 1.00 0.00 O ATOM 326 CB THR A 25 -4.082 -0.049 1.022 1.00 0.00 C ATOM 327 OG1 THR A 25 -5.084 -0.800 0.329 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.778 1.229 0.255 1.00 0.00 C ATOM 0 H THR A 25 -3.517 -2.183 2.692 1.00 0.00 H new ATOM 0 HA THR A 25 -2.360 -1.072 0.216 1.00 0.00 H new ATOM 0 HB THR A 25 -4.450 0.219 2.012 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.890 -0.252 0.226 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.691 1.814 0.146 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.036 1.813 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.388 0.977 -0.731 1.00 0.00 H new ATOM 336 N ALA A 26 -0.668 0.194 1.505 1.00 0.00 N ATOM 337 CA ALA A 26 0.361 0.922 2.238 1.00 0.00 C ATOM 338 C ALA A 26 -0.027 2.385 2.421 1.00 0.00 C ATOM 339 O ALA A 26 -0.978 2.868 1.806 1.00 0.00 O ATOM 340 CB ALA A 26 1.697 0.814 1.519 1.00 0.00 C ATOM 0 H ALA A 26 -0.423 -0.025 0.539 1.00 0.00 H new ATOM 0 HA ALA A 26 0.456 0.472 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.456 1.362 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.987 -0.234 1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.607 1.237 0.518 1.00 0.00 H new ATOM 346 N THR A 27 0.715 3.087 3.272 1.00 0.00 N ATOM 347 CA THR A 27 0.448 4.495 3.537 1.00 0.00 C ATOM 348 C THR A 27 1.702 5.210 4.029 1.00 0.00 C ATOM 349 O THR A 27 2.123 5.030 5.172 1.00 0.00 O ATOM 350 CB THR A 27 -0.670 4.667 4.583 1.00 0.00 C ATOM 351 OG1 THR A 27 -1.750 3.771 4.297 1.00 0.00 O ATOM 352 CG2 THR A 27 -1.183 6.099 4.596 1.00 0.00 C ATOM 0 H THR A 27 1.506 2.703 3.789 1.00 0.00 H new ATOM 0 HA THR A 27 0.126 4.938 2.595 1.00 0.00 H new ATOM 0 HB THR A 27 -0.257 4.437 5.565 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.456 3.885 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.972 6.196 5.342 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.365 6.776 4.842 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.580 6.352 3.613 1.00 0.00 H new ATOM 360 N LEU A 28 2.294 6.021 3.159 1.00 0.00 N ATOM 361 CA LEU A 28 3.500 6.764 3.505 1.00 0.00 C ATOM 362 C LEU A 28 3.180 8.233 3.762 1.00 0.00 C ATOM 363 O LEU A 28 2.261 8.791 3.163 1.00 0.00 O ATOM 364 CB LEU A 28 4.536 6.644 2.386 1.00 0.00 C ATOM 365 CG LEU A 28 5.003 5.227 2.053 1.00 0.00 C ATOM 366 CD1 LEU A 28 4.143 4.626 0.951 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.469 5.230 1.646 1.00 0.00 C ATOM 0 H LEU A 28 1.958 6.181 2.209 1.00 0.00 H new ATOM 0 HA LEU A 28 3.911 6.336 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.119 7.089 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.408 7.237 2.660 1.00 0.00 H new ATOM 0 HG LEU A 28 4.896 4.611 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.490 3.617 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.105 4.588 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.217 5.242 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.784 4.213 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.601 5.861 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.073 5.618 2.466 1.00 0.00 H new ATOM 379 N GLN A 29 3.946 8.854 4.654 1.00 0.00 N ATOM 380 CA GLN A 29 3.744 10.258 4.987 1.00 0.00 C ATOM 381 C GLN A 29 5.062 11.024 4.942 1.00 0.00 C ATOM 382 O GLN A 29 6.104 10.510 5.351 1.00 0.00 O ATOM 383 CB GLN A 29 3.112 10.389 6.374 1.00 0.00 C ATOM 384 CG GLN A 29 1.625 10.072 6.398 1.00 0.00 C ATOM 385 CD GLN A 29 0.981 10.395 7.732 1.00 0.00 C ATOM 386 OE1 GLN A 29 1.126 11.501 8.252 1.00 0.00 O ATOM 387 NE2 GLN A 29 0.264 9.428 8.292 1.00 0.00 N ATOM 0 H GLN A 29 4.711 8.406 5.158 1.00 0.00 H new ATOM 0 HA GLN A 29 3.070 10.687 4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.628 9.722 7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.264 11.405 6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.124 10.636 5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.479 9.015 6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.171 8.526 7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.194 9.587 9.190 1.00 0.00 H new ATOM 396 N CYS A 30 5.010 12.253 4.442 1.00 0.00 N ATOM 397 CA CYS A 30 6.201 13.089 4.342 1.00 0.00 C ATOM 398 C CYS A 30 5.845 14.564 4.503 1.00 0.00 C ATOM 399 O CYS A 30 4.731 14.981 4.188 1.00 0.00 O ATOM 400 CB CYS A 30 6.897 12.864 2.999 1.00 0.00 C ATOM 401 SG CYS A 30 6.158 13.775 1.623 1.00 0.00 S ATOM 0 H CYS A 30 4.156 12.693 4.099 1.00 0.00 H new ATOM 0 HA CYS A 30 6.881 12.808 5.146 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.944 13.153 3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.880 11.799 2.767 1.00 0.00 H new ATOM 0 HG CYS A 30 6.817 13.522 0.531 1.00 0.00 H new ATOM 407 N GLU A 31 6.799 15.347 4.997 1.00 0.00 N ATOM 408 CA GLU A 31 6.584 16.775 5.202 1.00 0.00 C ATOM 409 C GLU A 31 7.383 17.595 4.194 1.00 0.00 C ATOM 410 O GLU A 31 8.228 17.063 3.473 1.00 0.00 O ATOM 411 CB GLU A 31 6.978 17.173 6.626 1.00 0.00 C ATOM 412 CG GLU A 31 6.188 18.352 7.169 1.00 0.00 C ATOM 413 CD GLU A 31 6.245 18.446 8.681 1.00 0.00 C ATOM 414 OE1 GLU A 31 7.233 19.004 9.204 1.00 0.00 O ATOM 415 OE2 GLU A 31 5.302 17.962 9.342 1.00 0.00 O ATOM 0 H GLU A 31 7.727 15.017 5.262 1.00 0.00 H new ATOM 0 HA GLU A 31 5.524 16.982 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.837 16.317 7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.040 17.418 6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.576 19.274 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.148 18.264 6.853 1.00 0.00 H new ATOM 422 N LEU A 32 7.110 18.894 4.148 1.00 0.00 N ATOM 423 CA LEU A 32 7.802 19.790 3.228 1.00 0.00 C ATOM 424 C LEU A 32 7.890 21.200 3.803 1.00 0.00 C ATOM 425 O LEU A 32 7.056 21.603 4.614 1.00 0.00 O ATOM 426 CB LEU A 32 7.083 19.822 1.878 1.00 0.00 C ATOM 427 CG LEU A 32 7.033 18.499 1.113 1.00 0.00 C ATOM 428 CD1 LEU A 32 5.907 18.516 0.091 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.367 18.225 0.434 1.00 0.00 C ATOM 0 H LEU A 32 6.414 19.351 4.737 1.00 0.00 H new ATOM 0 HA LEU A 32 8.814 19.412 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.061 20.163 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.570 20.565 1.247 1.00 0.00 H new ATOM 0 HG LEU A 32 6.838 17.697 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.887 17.566 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.955 18.666 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.071 19.328 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.313 17.280 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.591 19.030 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.154 18.169 1.187 1.00 0.00 H new ATOM 441 N SER A 33 8.904 21.945 3.377 1.00 0.00 N ATOM 442 CA SER A 33 9.102 23.310 3.851 1.00 0.00 C ATOM 443 C SER A 33 7.929 24.200 3.450 1.00 0.00 C ATOM 444 O SER A 33 7.602 25.165 4.141 1.00 0.00 O ATOM 445 CB SER A 33 10.406 23.883 3.291 1.00 0.00 C ATOM 446 OG SER A 33 10.729 25.116 3.911 1.00 0.00 O ATOM 0 H SER A 33 9.602 21.627 2.704 1.00 0.00 H new ATOM 0 HA SER A 33 9.162 23.285 4.939 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.216 23.171 3.447 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.311 24.027 2.215 1.00 0.00 H new ATOM 0 HG SER A 33 11.567 25.461 3.537 1.00 0.00 H new ATOM 452 N LYS A 34 7.300 23.868 2.328 1.00 0.00 N ATOM 453 CA LYS A 34 6.162 24.634 1.833 1.00 0.00 C ATOM 454 C LYS A 34 5.365 23.827 0.814 1.00 0.00 C ATOM 455 O LYS A 34 5.879 22.881 0.217 1.00 0.00 O ATOM 456 CB LYS A 34 6.639 25.944 1.202 1.00 0.00 C ATOM 457 CG LYS A 34 7.305 25.761 -0.150 1.00 0.00 C ATOM 458 CD LYS A 34 7.381 27.071 -0.917 1.00 0.00 C ATOM 459 CE LYS A 34 7.345 26.840 -2.420 1.00 0.00 C ATOM 460 NZ LYS A 34 5.952 26.696 -2.926 1.00 0.00 N ATOM 0 H LYS A 34 7.559 23.073 1.744 1.00 0.00 H new ATOM 0 HA LYS A 34 5.513 24.860 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.787 26.615 1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.340 26.430 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.309 25.361 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.749 25.028 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.549 27.713 -0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.298 27.597 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.831 27.673 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.914 25.943 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.966 26.608 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.518 25.846 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.397 27.533 -2.657 1.00 0.00 H new ATOM 474 N VAL A 35 4.107 24.209 0.617 1.00 0.00 N ATOM 475 CA VAL A 35 3.239 23.522 -0.333 1.00 0.00 C ATOM 476 C VAL A 35 3.818 23.574 -1.743 1.00 0.00 C ATOM 477 O VAL A 35 3.933 24.645 -2.338 1.00 0.00 O ATOM 478 CB VAL A 35 1.826 24.135 -0.347 1.00 0.00 C ATOM 479 CG1 VAL A 35 0.909 23.341 -1.264 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.260 24.199 1.063 1.00 0.00 C ATOM 0 H VAL A 35 3.666 24.990 1.102 1.00 0.00 H new ATOM 0 HA VAL A 35 3.173 22.484 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 35 1.893 25.152 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.085 23.789 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.309 23.353 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.844 22.312 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.261 24.635 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.205 23.193 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.907 24.815 1.687 1.00 0.00 H new ATOM 490 N ALA A 36 4.180 22.410 -2.271 1.00 0.00 N ATOM 491 CA ALA A 36 4.745 22.322 -3.612 1.00 0.00 C ATOM 492 C ALA A 36 4.446 20.967 -4.245 1.00 0.00 C ATOM 493 O ALA A 36 4.293 19.955 -3.561 1.00 0.00 O ATOM 494 CB ALA A 36 6.246 22.567 -3.570 1.00 0.00 C ATOM 0 H ALA A 36 4.092 21.514 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 36 4.280 23.092 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.654 22.498 -4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.441 23.561 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.719 21.818 -2.935 1.00 0.00 H new ATOM 500 N PRO A 37 4.359 20.946 -5.584 1.00 0.00 N ATOM 501 CA PRO A 37 4.077 19.721 -6.339 1.00 0.00 C ATOM 502 C PRO A 37 5.240 18.736 -6.300 1.00 0.00 C ATOM 503 O PRO A 37 6.362 19.069 -6.683 1.00 0.00 O ATOM 504 CB PRO A 37 3.853 20.228 -7.766 1.00 0.00 C ATOM 505 CG PRO A 37 4.612 21.508 -7.836 1.00 0.00 C ATOM 506 CD PRO A 37 4.530 22.114 -6.463 1.00 0.00 C ATOM 0 HA PRO A 37 3.228 19.175 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.216 19.511 -8.502 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.794 20.384 -7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.649 21.332 -8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.183 22.176 -8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.432 22.674 -6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.692 22.806 -6.379 1.00 0.00 H new ATOM 514 N VAL A 38 4.966 17.521 -5.837 1.00 0.00 N ATOM 515 CA VAL A 38 5.989 16.486 -5.750 1.00 0.00 C ATOM 516 C VAL A 38 5.594 15.253 -6.555 1.00 0.00 C ATOM 517 O VAL A 38 4.448 15.121 -6.984 1.00 0.00 O ATOM 518 CB VAL A 38 6.245 16.070 -4.289 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.563 17.288 -3.435 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.046 15.318 -3.732 1.00 0.00 C ATOM 0 H VAL A 38 4.043 17.229 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 38 6.903 16.910 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 38 7.107 15.403 -4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.741 16.975 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.454 17.782 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.722 17.981 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.244 15.032 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.165 15.959 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.868 14.423 -4.329 1.00 0.00 H new ATOM 530 N GLU A 39 6.552 14.353 -6.757 1.00 0.00 N ATOM 531 CA GLU A 39 6.303 13.131 -7.512 1.00 0.00 C ATOM 532 C GLU A 39 6.985 11.936 -6.853 1.00 0.00 C ATOM 533 O GLU A 39 8.152 12.009 -6.468 1.00 0.00 O ATOM 534 CB GLU A 39 6.798 13.285 -8.952 1.00 0.00 C ATOM 535 CG GLU A 39 6.579 12.048 -9.807 1.00 0.00 C ATOM 536 CD GLU A 39 5.206 12.018 -10.449 1.00 0.00 C ATOM 537 OE1 GLU A 39 4.205 12.150 -9.713 1.00 0.00 O ATOM 538 OE2 GLU A 39 5.131 11.863 -11.685 1.00 0.00 O ATOM 0 H GLU A 39 7.506 14.447 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 39 5.228 12.953 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.288 14.130 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.862 13.523 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.341 12.010 -10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.707 11.158 -9.191 1.00 0.00 H new ATOM 545 N TRP A 40 6.249 10.838 -6.727 1.00 0.00 N ATOM 546 CA TRP A 40 6.783 9.627 -6.113 1.00 0.00 C ATOM 547 C TRP A 40 7.409 8.715 -7.163 1.00 0.00 C ATOM 548 O TRP A 40 6.960 8.671 -8.309 1.00 0.00 O ATOM 549 CB TRP A 40 5.677 8.880 -5.365 1.00 0.00 C ATOM 550 CG TRP A 40 5.001 9.712 -4.318 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.210 10.807 -4.526 1.00 0.00 C ATOM 552 CD2 TRP A 40 5.058 9.519 -2.901 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.772 11.305 -3.323 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.277 10.532 -2.311 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.689 8.587 -2.073 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.115 10.638 -0.932 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.528 8.694 -0.705 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.745 9.713 -0.145 1.00 0.00 C ATOM 0 H TRP A 40 5.282 10.761 -7.041 1.00 0.00 H new ATOM 0 HA TRP A 40 7.558 9.920 -5.404 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.932 8.536 -6.082 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.101 7.993 -4.895 1.00 0.00 H new ATOM 0 HD1 TRP A 40 3.965 11.220 -5.494 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.169 12.119 -3.203 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.292 7.797 -2.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.513 11.423 -0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.014 7.980 -0.056 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.637 9.769 0.928 1.00 0.00 H new ATOM 569 N LYS A 41 8.448 7.989 -6.766 1.00 0.00 N ATOM 570 CA LYS A 41 9.136 7.077 -7.672 1.00 0.00 C ATOM 571 C LYS A 41 9.424 5.745 -6.987 1.00 0.00 C ATOM 572 O LYS A 41 9.614 5.687 -5.772 1.00 0.00 O ATOM 573 CB LYS A 41 10.443 7.703 -8.164 1.00 0.00 C ATOM 574 CG LYS A 41 10.296 8.474 -9.464 1.00 0.00 C ATOM 575 CD LYS A 41 11.572 8.427 -10.288 1.00 0.00 C ATOM 576 CE LYS A 41 11.501 9.367 -11.481 1.00 0.00 C ATOM 577 NZ LYS A 41 12.855 9.757 -11.962 1.00 0.00 N ATOM 0 H LYS A 41 8.833 8.014 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 41 8.485 6.893 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.827 8.373 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.185 6.916 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.472 8.058 -10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.041 9.511 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.421 8.697 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.744 7.408 -10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.953 8.885 -12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.942 10.261 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.956 10.791 -11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.578 9.311 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.978 9.441 -12.945 1.00 0.00 H new ATOM 591 N LYS A 42 9.456 4.675 -7.775 1.00 0.00 N ATOM 592 CA LYS A 42 9.724 3.343 -7.246 1.00 0.00 C ATOM 593 C LYS A 42 10.989 2.756 -7.865 1.00 0.00 C ATOM 594 O LYS A 42 11.270 1.567 -7.717 1.00 0.00 O ATOM 595 CB LYS A 42 8.536 2.417 -7.513 1.00 0.00 C ATOM 596 CG LYS A 42 8.802 0.965 -7.154 1.00 0.00 C ATOM 597 CD LYS A 42 7.509 0.199 -6.932 1.00 0.00 C ATOM 598 CE LYS A 42 7.774 -1.273 -6.654 1.00 0.00 C ATOM 599 NZ LYS A 42 8.245 -1.990 -7.871 1.00 0.00 N ATOM 0 H LYS A 42 9.300 4.705 -8.782 1.00 0.00 H new ATOM 0 HA LYS A 42 9.874 3.430 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.676 2.771 -6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.269 2.478 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.374 0.491 -7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.413 0.918 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.965 0.636 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.872 0.295 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.521 -1.365 -5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.862 -1.743 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.252 -3.014 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.606 -1.784 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.207 -1.674 -8.110 1.00 0.00 H new ATOM 613 N GLY A 43 11.749 3.598 -8.558 1.00 0.00 N ATOM 614 CA GLY A 43 12.975 3.144 -9.187 1.00 0.00 C ATOM 615 C GLY A 43 13.324 3.948 -10.424 1.00 0.00 C ATOM 616 O GLY A 43 13.145 5.165 -10.471 1.00 0.00 O ATOM 0 H GLY A 43 11.538 4.586 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.794 3.211 -8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.874 2.093 -9.457 1.00 0.00 H new ATOM 620 N PRO A 44 13.837 3.261 -11.456 1.00 0.00 N ATOM 621 CA PRO A 44 14.224 3.899 -12.718 1.00 0.00 C ATOM 622 C PRO A 44 13.018 4.386 -13.514 1.00 0.00 C ATOM 623 O PRO A 44 13.162 4.900 -14.623 1.00 0.00 O ATOM 624 CB PRO A 44 14.947 2.782 -13.473 1.00 0.00 C ATOM 625 CG PRO A 44 14.385 1.520 -12.914 1.00 0.00 C ATOM 626 CD PRO A 44 14.078 1.808 -11.470 1.00 0.00 C ATOM 0 HA PRO A 44 14.835 4.787 -12.556 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.771 2.852 -14.546 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.025 2.836 -13.322 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.485 1.221 -13.452 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.098 0.701 -13.006 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.205 1.253 -11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.908 1.532 -10.820 1.00 0.00 H new ATOM 634 N GLU A 45 11.830 4.221 -12.941 1.00 0.00 N ATOM 635 CA GLU A 45 10.600 4.645 -13.600 1.00 0.00 C ATOM 636 C GLU A 45 9.921 5.765 -12.817 1.00 0.00 C ATOM 637 O GLU A 45 10.330 6.096 -11.703 1.00 0.00 O ATOM 638 CB GLU A 45 9.642 3.461 -13.750 1.00 0.00 C ATOM 639 CG GLU A 45 9.843 2.675 -15.035 1.00 0.00 C ATOM 640 CD GLU A 45 9.157 3.317 -16.225 1.00 0.00 C ATOM 641 OE1 GLU A 45 8.109 3.967 -16.025 1.00 0.00 O ATOM 642 OE2 GLU A 45 9.667 3.171 -17.355 1.00 0.00 O ATOM 0 H GLU A 45 11.693 3.797 -12.023 1.00 0.00 H new ATOM 0 HA GLU A 45 10.860 5.022 -14.589 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.770 2.791 -12.900 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.616 3.828 -13.715 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.910 2.587 -15.239 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.460 1.663 -14.902 1.00 0.00 H new ATOM 649 N THR A 46 8.882 6.347 -13.408 1.00 0.00 N ATOM 650 CA THR A 46 8.148 7.431 -12.768 1.00 0.00 C ATOM 651 C THR A 46 6.722 7.008 -12.435 1.00 0.00 C ATOM 652 O THR A 46 6.092 6.265 -13.188 1.00 0.00 O ATOM 653 CB THR A 46 8.103 8.684 -13.663 1.00 0.00 C ATOM 654 OG1 THR A 46 9.430 9.174 -13.888 1.00 0.00 O ATOM 655 CG2 THR A 46 7.255 9.775 -13.026 1.00 0.00 C ATOM 0 H THR A 46 8.530 6.085 -14.329 1.00 0.00 H new ATOM 0 HA THR A 46 8.678 7.670 -11.846 1.00 0.00 H new ATOM 0 HB THR A 46 7.653 8.406 -14.616 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.550 10.022 -13.413 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.238 10.649 -13.677 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.238 9.409 -12.884 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.680 10.049 -12.060 1.00 0.00 H new ATOM 663 N LEU A 47 6.218 7.485 -11.302 1.00 0.00 N ATOM 664 CA LEU A 47 4.864 7.156 -10.869 1.00 0.00 C ATOM 665 C LEU A 47 3.981 8.399 -10.851 1.00 0.00 C ATOM 666 O LEU A 47 4.463 9.512 -10.639 1.00 0.00 O ATOM 667 CB LEU A 47 4.894 6.518 -9.479 1.00 0.00 C ATOM 668 CG LEU A 47 5.633 5.184 -9.368 1.00 0.00 C ATOM 669 CD1 LEU A 47 6.241 5.024 -7.984 1.00 0.00 C ATOM 670 CD2 LEU A 47 4.696 4.026 -9.678 1.00 0.00 C ATOM 0 H LEU A 47 6.726 8.100 -10.667 1.00 0.00 H new ATOM 0 HA LEU A 47 4.444 6.445 -11.580 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.354 7.224 -8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.866 6.370 -9.147 1.00 0.00 H new ATOM 0 HG LEU A 47 6.440 5.177 -10.100 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.763 4.069 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.946 5.835 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.451 5.054 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.240 3.085 -9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.866 4.030 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.309 4.132 -10.692 1.00 0.00 H new ATOM 682 N ARG A 48 2.686 8.202 -11.073 1.00 0.00 N ATOM 683 CA ARG A 48 1.735 9.307 -11.082 1.00 0.00 C ATOM 684 C ARG A 48 0.356 8.841 -10.624 1.00 0.00 C ATOM 685 O ARG A 48 -0.028 7.693 -10.846 1.00 0.00 O ATOM 686 CB ARG A 48 1.640 9.916 -12.482 1.00 0.00 C ATOM 687 CG ARG A 48 1.110 8.952 -13.531 1.00 0.00 C ATOM 688 CD ARG A 48 0.448 9.691 -14.683 1.00 0.00 C ATOM 689 NE ARG A 48 -0.691 10.489 -14.240 1.00 0.00 N ATOM 690 CZ ARG A 48 -1.425 11.239 -15.054 1.00 0.00 C ATOM 691 NH1 ARG A 48 -1.140 11.293 -16.348 1.00 0.00 N ATOM 692 NH2 ARG A 48 -2.447 11.937 -14.575 1.00 0.00 N ATOM 0 H ARG A 48 2.271 7.287 -11.249 1.00 0.00 H new ATOM 0 HA ARG A 48 2.093 10.066 -10.387 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.992 10.792 -12.445 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.628 10.263 -12.786 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.928 8.341 -13.912 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.392 8.273 -13.072 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.179 10.340 -15.165 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.117 8.972 -15.432 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.937 10.470 -13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.356 10.758 -16.720 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.705 11.870 -16.971 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.670 11.898 -13.580 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.010 12.513 -15.201 1.00 0.00 H new ATOM 706 N ASP A 49 -0.384 9.740 -9.984 1.00 0.00 N ATOM 707 CA ASP A 49 -1.721 9.422 -9.495 1.00 0.00 C ATOM 708 C ASP A 49 -2.602 8.897 -10.624 1.00 0.00 C ATOM 709 O ASP A 49 -2.626 9.459 -11.719 1.00 0.00 O ATOM 710 CB ASP A 49 -2.363 10.657 -8.862 1.00 0.00 C ATOM 711 CG ASP A 49 -3.873 10.552 -8.790 1.00 0.00 C ATOM 712 OD1 ASP A 49 -4.528 10.682 -9.845 1.00 0.00 O ATOM 713 OD2 ASP A 49 -4.401 10.339 -7.678 1.00 0.00 O ATOM 0 H ASP A 49 -0.081 10.695 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.628 8.643 -8.739 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.963 10.796 -7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.090 11.541 -9.439 1.00 0.00 H new ATOM 718 N GLY A 50 -3.325 7.815 -10.351 1.00 0.00 N ATOM 719 CA GLY A 50 -4.196 7.232 -11.354 1.00 0.00 C ATOM 720 C GLY A 50 -3.898 5.767 -11.600 1.00 0.00 C ATOM 721 O GLY A 50 -2.862 5.423 -12.167 1.00 0.00 O ATOM 0 H GLY A 50 -3.323 7.332 -9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.233 7.340 -11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.089 7.783 -12.288 1.00 0.00 H new ATOM 725 N GLY A 51 -4.809 4.898 -11.170 1.00 0.00 N ATOM 726 CA GLY A 51 -4.619 3.472 -11.355 1.00 0.00 C ATOM 727 C GLY A 51 -4.462 2.733 -10.040 1.00 0.00 C ATOM 728 O GLY A 51 -5.332 2.805 -9.172 1.00 0.00 O ATOM 0 H GLY A 51 -5.675 5.157 -10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.470 3.063 -11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.736 3.303 -11.971 1.00 0.00 H new ATOM 732 N ARG A 52 -3.350 2.019 -9.893 1.00 0.00 N ATOM 733 CA ARG A 52 -3.084 1.262 -8.676 1.00 0.00 C ATOM 734 C ARG A 52 -2.232 2.075 -7.706 1.00 0.00 C ATOM 735 O ARG A 52 -1.441 1.519 -6.943 1.00 0.00 O ATOM 736 CB ARG A 52 -2.379 -0.053 -9.013 1.00 0.00 C ATOM 737 CG ARG A 52 -3.329 -1.167 -9.419 1.00 0.00 C ATOM 738 CD ARG A 52 -2.591 -2.481 -9.628 1.00 0.00 C ATOM 739 NE ARG A 52 -1.799 -2.475 -10.855 1.00 0.00 N ATOM 740 CZ ARG A 52 -1.033 -3.489 -11.240 1.00 0.00 C ATOM 741 NH1 ARG A 52 -0.956 -4.585 -10.498 1.00 0.00 N ATOM 742 NH2 ARG A 52 -0.342 -3.408 -12.369 1.00 0.00 N ATOM 0 H ARG A 52 -2.620 1.949 -10.601 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.038 1.042 -8.198 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.670 0.122 -9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.801 -0.377 -8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.091 -1.295 -8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.846 -0.889 -10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.938 -2.669 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.311 -3.299 -9.665 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.836 -1.646 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.486 -4.651 -9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.367 -5.362 -10.796 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.399 -2.566 -12.942 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.246 -4.187 -12.664 1.00 0.00 H new ATOM 756 N TYR A 53 -2.399 3.392 -7.740 1.00 0.00 N ATOM 757 CA TYR A 53 -1.644 4.281 -6.866 1.00 0.00 C ATOM 758 C TYR A 53 -2.441 5.544 -6.552 1.00 0.00 C ATOM 759 O TYR A 53 -2.949 6.211 -7.454 1.00 0.00 O ATOM 760 CB TYR A 53 -0.310 4.656 -7.514 1.00 0.00 C ATOM 761 CG TYR A 53 0.666 3.504 -7.600 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.385 3.092 -6.485 1.00 0.00 C ATOM 763 CD2 TYR A 53 0.870 2.828 -8.797 1.00 0.00 C ATOM 764 CE1 TYR A 53 2.278 2.041 -6.558 1.00 0.00 C ATOM 765 CE2 TYR A 53 1.760 1.775 -8.879 1.00 0.00 C ATOM 766 CZ TYR A 53 2.462 1.385 -7.757 1.00 0.00 C ATOM 767 OH TYR A 53 3.350 0.337 -7.836 1.00 0.00 O ATOM 0 H TYR A 53 -3.051 3.868 -8.364 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.452 3.752 -5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.498 5.038 -8.517 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.146 5.466 -6.945 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.243 3.603 -5.544 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.323 3.131 -9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.829 1.735 -5.681 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.906 1.259 -9.817 1.00 0.00 H new ATOM 0 HH TYR A 53 3.360 -0.015 -8.750 1.00 0.00 H new ATOM 777 N SER A 54 -2.547 5.865 -5.267 1.00 0.00 N ATOM 778 CA SER A 54 -3.285 7.045 -4.832 1.00 0.00 C ATOM 779 C SER A 54 -2.378 7.999 -4.060 1.00 0.00 C ATOM 780 O SER A 54 -1.872 7.663 -2.989 1.00 0.00 O ATOM 781 CB SER A 54 -4.474 6.636 -3.960 1.00 0.00 C ATOM 782 OG SER A 54 -5.593 6.287 -4.756 1.00 0.00 O ATOM 0 H SER A 54 -2.131 5.324 -4.509 1.00 0.00 H new ATOM 0 HA SER A 54 -3.654 7.560 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.194 5.791 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.740 7.456 -3.293 1.00 0.00 H new ATOM 0 HG SER A 54 -5.907 5.394 -4.505 1.00 0.00 H new ATOM 788 N LEU A 55 -2.177 9.190 -4.612 1.00 0.00 N ATOM 789 CA LEU A 55 -1.332 10.195 -3.977 1.00 0.00 C ATOM 790 C LEU A 55 -2.083 11.511 -3.807 1.00 0.00 C ATOM 791 O LEU A 55 -2.360 12.211 -4.782 1.00 0.00 O ATOM 792 CB LEU A 55 -0.065 10.421 -4.805 1.00 0.00 C ATOM 793 CG LEU A 55 0.504 9.190 -5.511 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.112 9.035 -6.893 1.00 0.00 C ATOM 795 CD2 LEU A 55 2.019 9.284 -5.608 1.00 0.00 C ATOM 0 H LEU A 55 -2.588 9.484 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.053 9.828 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.277 11.181 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.705 10.828 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 55 0.252 8.308 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.305 8.154 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.192 8.921 -6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.109 9.919 -7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.407 8.399 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.293 10.174 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.445 9.346 -4.606 1.00 0.00 H new ATOM 807 N LYS A 56 -2.410 11.843 -2.563 1.00 0.00 N ATOM 808 CA LYS A 56 -3.127 13.077 -2.263 1.00 0.00 C ATOM 809 C LYS A 56 -2.190 14.118 -1.658 1.00 0.00 C ATOM 810 O LYS A 56 -1.399 13.809 -0.768 1.00 0.00 O ATOM 811 CB LYS A 56 -4.285 12.798 -1.302 1.00 0.00 C ATOM 812 CG LYS A 56 -5.027 14.049 -0.864 1.00 0.00 C ATOM 813 CD LYS A 56 -6.172 14.376 -1.807 1.00 0.00 C ATOM 814 CE LYS A 56 -6.890 15.651 -1.390 1.00 0.00 C ATOM 815 NZ LYS A 56 -7.713 15.449 -0.165 1.00 0.00 N ATOM 0 H LYS A 56 -2.190 11.274 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.526 13.472 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.989 12.118 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.899 12.287 -0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.414 13.909 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.334 14.890 -0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.789 14.488 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.880 13.547 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.158 16.438 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.529 15.991 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.199 16.336 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.418 14.704 -0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.097 15.166 0.624 1.00 0.00 H new ATOM 829 N GLN A 57 -2.286 15.350 -2.148 1.00 0.00 N ATOM 830 CA GLN A 57 -1.447 16.435 -1.654 1.00 0.00 C ATOM 831 C GLN A 57 -2.121 17.159 -0.493 1.00 0.00 C ATOM 832 O GLN A 57 -3.348 17.196 -0.400 1.00 0.00 O ATOM 833 CB GLN A 57 -1.142 17.424 -2.780 1.00 0.00 C ATOM 834 CG GLN A 57 -0.144 18.502 -2.388 1.00 0.00 C ATOM 835 CD GLN A 57 1.294 18.065 -2.584 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.561 16.951 -3.037 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.232 18.942 -2.243 1.00 0.00 N ATOM 0 H GLN A 57 -2.936 15.621 -2.886 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.512 16.004 -1.295 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.754 16.876 -3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.071 17.898 -3.098 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.331 19.398 -2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.298 18.772 -1.343 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.967 19.854 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.218 18.703 -2.353 1.00 0.00 H new ATOM 846 N ASP A 58 -1.311 17.733 0.390 1.00 0.00 N ATOM 847 CA ASP A 58 -1.829 18.457 1.545 1.00 0.00 C ATOM 848 C ASP A 58 -0.851 19.540 1.990 1.00 0.00 C ATOM 849 O ASP A 58 0.324 19.518 1.626 1.00 0.00 O ATOM 850 CB ASP A 58 -2.100 17.491 2.699 1.00 0.00 C ATOM 851 CG ASP A 58 -3.123 18.033 3.678 1.00 0.00 C ATOM 852 OD1 ASP A 58 -2.721 18.739 4.626 1.00 0.00 O ATOM 853 OD2 ASP A 58 -4.326 17.749 3.497 1.00 0.00 O ATOM 0 H ASP A 58 -0.293 17.711 0.328 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.765 18.935 1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.452 16.540 2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.168 17.289 3.226 1.00 0.00 H new ATOM 858 N GLY A 59 -1.345 20.489 2.780 1.00 0.00 N ATOM 859 CA GLY A 59 -0.503 21.568 3.261 1.00 0.00 C ATOM 860 C GLY A 59 0.828 21.072 3.790 1.00 0.00 C ATOM 861 O GLY A 59 0.900 20.508 4.882 1.00 0.00 O ATOM 0 H GLY A 59 -2.314 20.529 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.328 22.277 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.026 22.109 4.050 1.00 0.00 H new ATOM 865 N THR A 60 1.887 21.280 3.013 1.00 0.00 N ATOM 866 CA THR A 60 3.222 20.848 3.408 1.00 0.00 C ATOM 867 C THR A 60 3.213 19.398 3.879 1.00 0.00 C ATOM 868 O THR A 60 4.007 19.009 4.736 1.00 0.00 O ATOM 869 CB THR A 60 3.791 21.737 4.530 1.00 0.00 C ATOM 870 OG1 THR A 60 2.755 22.078 5.458 1.00 0.00 O ATOM 871 CG2 THR A 60 4.404 23.006 3.957 1.00 0.00 C ATOM 0 H THR A 60 1.846 21.745 2.106 1.00 0.00 H new ATOM 0 HA THR A 60 3.857 20.937 2.527 1.00 0.00 H new ATOM 0 HB THR A 60 4.571 21.177 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.265 21.269 5.714 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.799 23.618 4.768 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.212 22.744 3.274 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.641 23.567 3.418 1.00 0.00 H new ATOM 879 N ARG A 61 2.312 18.602 3.312 1.00 0.00 N ATOM 880 CA ARG A 61 2.201 17.194 3.675 1.00 0.00 C ATOM 881 C ARG A 61 1.657 16.374 2.509 1.00 0.00 C ATOM 882 O ARG A 61 0.824 16.850 1.737 1.00 0.00 O ATOM 883 CB ARG A 61 1.293 17.030 4.895 1.00 0.00 C ATOM 884 CG ARG A 61 2.031 17.118 6.220 1.00 0.00 C ATOM 885 CD ARG A 61 1.073 17.355 7.377 1.00 0.00 C ATOM 886 NE ARG A 61 0.814 18.776 7.591 1.00 0.00 N ATOM 887 CZ ARG A 61 -0.074 19.238 8.465 1.00 0.00 C ATOM 888 NH1 ARG A 61 -0.783 18.395 9.202 1.00 0.00 N ATOM 889 NH2 ARG A 61 -0.253 20.545 8.602 1.00 0.00 N ATOM 0 H ARG A 61 1.649 18.908 2.600 1.00 0.00 H new ATOM 0 HA ARG A 61 3.198 16.828 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.520 17.798 4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.787 16.066 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.587 16.196 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.760 17.927 6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.132 16.841 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.489 16.921 8.286 1.00 0.00 H new ATOM 0 HE ARG A 61 1.344 19.451 7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.648 17.389 9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.464 18.752 9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.291 21.196 8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.935 20.899 9.273 1.00 0.00 H new ATOM 903 N CYS A 62 2.135 15.141 2.386 1.00 0.00 N ATOM 904 CA CYS A 62 1.698 14.254 1.314 1.00 0.00 C ATOM 905 C CYS A 62 1.499 12.833 1.830 1.00 0.00 C ATOM 906 O CYS A 62 2.264 12.353 2.665 1.00 0.00 O ATOM 907 CB CYS A 62 2.718 14.258 0.174 1.00 0.00 C ATOM 908 SG CYS A 62 2.888 15.854 -0.659 1.00 0.00 S ATOM 0 H CYS A 62 2.826 14.733 3.016 1.00 0.00 H new ATOM 0 HA CYS A 62 0.743 14.621 0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.690 13.961 0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.429 13.506 -0.560 1.00 0.00 H new ATOM 0 HG CYS A 62 2.106 15.887 -1.697 1.00 0.00 H new ATOM 914 N GLU A 63 0.465 12.166 1.327 1.00 0.00 N ATOM 915 CA GLU A 63 0.164 10.800 1.740 1.00 0.00 C ATOM 916 C GLU A 63 0.027 9.883 0.528 1.00 0.00 C ATOM 917 O GLU A 63 -0.889 10.037 -0.281 1.00 0.00 O ATOM 918 CB GLU A 63 -1.122 10.765 2.568 1.00 0.00 C ATOM 919 CG GLU A 63 -1.649 9.361 2.815 1.00 0.00 C ATOM 920 CD GLU A 63 -2.915 9.352 3.650 1.00 0.00 C ATOM 921 OE1 GLU A 63 -2.812 9.510 4.884 1.00 0.00 O ATOM 922 OE2 GLU A 63 -4.008 9.187 3.069 1.00 0.00 O ATOM 0 H GLU A 63 -0.178 12.549 0.634 1.00 0.00 H new ATOM 0 HA GLU A 63 0.991 10.442 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.940 11.250 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.889 11.347 2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.846 8.877 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.882 8.772 3.318 1.00 0.00 H new ATOM 929 N LEU A 64 0.943 8.929 0.409 1.00 0.00 N ATOM 930 CA LEU A 64 0.926 7.986 -0.705 1.00 0.00 C ATOM 931 C LEU A 64 0.299 6.660 -0.286 1.00 0.00 C ATOM 932 O LEU A 64 0.509 6.190 0.832 1.00 0.00 O ATOM 933 CB LEU A 64 2.346 7.751 -1.222 1.00 0.00 C ATOM 934 CG LEU A 64 2.564 6.468 -2.024 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.837 6.542 -3.358 1.00 0.00 C ATOM 936 CD2 LEU A 64 4.050 6.218 -2.239 1.00 0.00 C ATOM 0 H LEU A 64 1.707 8.787 1.070 1.00 0.00 H new ATOM 0 HA LEU A 64 0.322 8.416 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.629 8.599 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.025 7.743 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 64 2.154 5.634 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.004 5.620 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.769 6.672 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.217 7.387 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.185 5.301 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.484 7.055 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.546 6.119 -1.273 1.00 0.00 H new ATOM 948 N GLN A 65 -0.470 6.063 -1.191 1.00 0.00 N ATOM 949 CA GLN A 65 -1.126 4.790 -0.915 1.00 0.00 C ATOM 950 C GLN A 65 -0.946 3.822 -2.079 1.00 0.00 C ATOM 951 O GLN A 65 -1.065 4.206 -3.243 1.00 0.00 O ATOM 952 CB GLN A 65 -2.615 5.009 -0.643 1.00 0.00 C ATOM 953 CG GLN A 65 -2.934 5.277 0.820 1.00 0.00 C ATOM 954 CD GLN A 65 -4.388 5.641 1.043 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.143 4.885 1.654 1.00 0.00 O ATOM 956 NE2 GLN A 65 -4.789 6.806 0.547 1.00 0.00 N ATOM 0 H GLN A 65 -0.654 6.440 -2.121 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.662 4.355 -0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.966 5.849 -1.242 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.169 4.130 -0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.690 4.393 1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.301 6.086 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.129 7.402 0.047 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.757 7.105 0.666 1.00 0.00 H new ATOM 965 N ILE A 66 -0.660 2.565 -1.757 1.00 0.00 N ATOM 966 CA ILE A 66 -0.465 1.541 -2.777 1.00 0.00 C ATOM 967 C ILE A 66 -1.533 0.458 -2.679 1.00 0.00 C ATOM 968 O ILE A 66 -1.417 -0.474 -1.883 1.00 0.00 O ATOM 969 CB ILE A 66 0.925 0.888 -2.660 1.00 0.00 C ATOM 970 CG1 ILE A 66 2.012 1.962 -2.576 1.00 0.00 C ATOM 971 CG2 ILE A 66 1.177 -0.037 -3.842 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.234 1.525 -1.798 1.00 0.00 C ATOM 0 H ILE A 66 -0.558 2.231 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.543 2.039 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 66 0.956 0.295 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.314 2.241 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.594 2.855 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.163 -0.491 -3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.418 -0.819 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.131 0.536 -4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.963 2.336 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.945 1.273 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.676 0.651 -2.276 1.00 0.00 H new ATOM 984 N HIS A 67 -2.574 0.585 -3.496 1.00 0.00 N ATOM 985 CA HIS A 67 -3.663 -0.385 -3.504 1.00 0.00 C ATOM 986 C HIS A 67 -3.208 -1.708 -4.111 1.00 0.00 C ATOM 987 O HIS A 67 -2.552 -1.731 -5.153 1.00 0.00 O ATOM 988 CB HIS A 67 -4.857 0.164 -4.286 1.00 0.00 C ATOM 989 CG HIS A 67 -5.348 1.486 -3.780 1.00 0.00 C ATOM 990 ND1 HIS A 67 -5.679 1.711 -2.461 1.00 0.00 N ATOM 991 CD2 HIS A 67 -5.561 2.656 -4.426 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.076 2.963 -2.317 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.013 3.558 -3.494 1.00 0.00 N ATOM 0 H HIS A 67 -2.686 1.350 -4.161 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.965 -0.564 -2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.578 0.267 -5.335 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.672 -0.558 -4.242 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.626 1.019 -1.713 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.405 2.845 -5.478 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.397 3.422 -1.394 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.558 -2.807 -3.453 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.185 -4.135 -3.928 1.00 0.00 C ATOM 1004 C ASP A 68 -1.707 -4.409 -3.670 1.00 0.00 C ATOM 1005 O ASP A 68 -0.961 -4.764 -4.584 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.489 -4.270 -5.421 1.00 0.00 C ATOM 1007 CG ASP A 68 -3.542 -5.716 -5.872 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -2.719 -6.520 -5.387 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -4.407 -6.044 -6.711 1.00 0.00 O ATOM 0 H ASP A 68 -4.100 -2.805 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.773 -4.869 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.442 -3.789 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.727 -3.742 -5.993 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.289 -4.241 -2.420 1.00 0.00 N ATOM 1015 CA LEU A 69 0.102 -4.470 -2.041 1.00 0.00 C ATOM 1016 C LEU A 69 0.547 -5.877 -2.426 1.00 0.00 C ATOM 1017 O LEU A 69 -0.280 -6.748 -2.698 1.00 0.00 O ATOM 1018 CB LEU A 69 0.282 -4.259 -0.537 1.00 0.00 C ATOM 1019 CG LEU A 69 0.518 -2.817 -0.085 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.381 -2.703 1.425 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.888 -2.334 -0.536 1.00 0.00 C ATOM 0 H LEU A 69 -1.893 -3.947 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 69 0.722 -3.753 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.605 -4.637 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.124 -4.866 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.238 -2.183 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.552 -1.670 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.622 -3.008 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.115 -3.349 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.038 -1.306 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.659 -2.971 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.950 -2.378 -1.623 1.00 0.00 H new ATOM 1033 N SER A 70 1.858 -6.092 -2.446 1.00 0.00 N ATOM 1034 CA SER A 70 2.414 -7.394 -2.799 1.00 0.00 C ATOM 1035 C SER A 70 3.902 -7.457 -2.469 1.00 0.00 C ATOM 1036 O SER A 70 4.593 -6.438 -2.465 1.00 0.00 O ATOM 1037 CB SER A 70 2.197 -7.678 -4.286 1.00 0.00 C ATOM 1038 OG SER A 70 2.070 -9.068 -4.527 1.00 0.00 O ATOM 0 H SER A 70 2.555 -5.382 -2.222 1.00 0.00 H new ATOM 0 HA SER A 70 1.897 -8.154 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.300 -7.163 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.034 -7.281 -4.861 1.00 0.00 H new ATOM 0 HG SER A 70 1.930 -9.223 -5.485 1.00 0.00 H new ATOM 1044 N VAL A 71 4.390 -8.662 -2.191 1.00 0.00 N ATOM 1045 CA VAL A 71 5.796 -8.860 -1.861 1.00 0.00 C ATOM 1046 C VAL A 71 6.701 -8.150 -2.861 1.00 0.00 C ATOM 1047 O VAL A 71 7.820 -7.757 -2.532 1.00 0.00 O ATOM 1048 CB VAL A 71 6.160 -10.356 -1.829 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.954 -10.926 -0.434 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.340 -11.125 -2.854 1.00 0.00 C ATOM 0 H VAL A 71 3.832 -9.516 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 71 5.951 -8.434 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 71 7.214 -10.462 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.216 -11.984 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.588 -10.393 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.910 -10.810 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.610 -12.180 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.279 -11.014 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.543 -10.733 -3.851 1.00 0.00 H new ATOM 1060 N ALA A 72 6.208 -7.987 -4.085 1.00 0.00 N ATOM 1061 CA ALA A 72 6.972 -7.321 -5.133 1.00 0.00 C ATOM 1062 C ALA A 72 6.960 -5.808 -4.944 1.00 0.00 C ATOM 1063 O ALA A 72 7.925 -5.123 -5.285 1.00 0.00 O ATOM 1064 CB ALA A 72 6.418 -7.688 -6.502 1.00 0.00 C ATOM 0 H ALA A 72 5.284 -8.307 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 72 8.006 -7.661 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.997 -7.184 -7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.484 -8.767 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.376 -7.376 -6.568 1.00 0.00 H new ATOM 1070 N ASP A 73 5.864 -5.293 -4.399 1.00 0.00 N ATOM 1071 CA ASP A 73 5.727 -3.860 -4.164 1.00 0.00 C ATOM 1072 C ASP A 73 6.724 -3.385 -3.111 1.00 0.00 C ATOM 1073 O ASP A 73 7.114 -2.218 -3.094 1.00 0.00 O ATOM 1074 CB ASP A 73 4.302 -3.528 -3.721 1.00 0.00 C ATOM 1075 CG ASP A 73 3.335 -3.456 -4.887 1.00 0.00 C ATOM 1076 OD1 ASP A 73 3.016 -4.519 -5.459 1.00 0.00 O ATOM 1077 OD2 ASP A 73 2.900 -2.336 -5.229 1.00 0.00 O ATOM 0 H ASP A 73 5.057 -5.846 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 73 5.938 -3.341 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.959 -4.284 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.302 -2.574 -3.193 1.00 0.00 H new ATOM 1082 N ALA A 74 7.130 -4.297 -2.234 1.00 0.00 N ATOM 1083 CA ALA A 74 8.082 -3.971 -1.179 1.00 0.00 C ATOM 1084 C ALA A 74 9.449 -3.626 -1.759 1.00 0.00 C ATOM 1085 O ALA A 74 10.202 -4.509 -2.168 1.00 0.00 O ATOM 1086 CB ALA A 74 8.200 -5.129 -0.199 1.00 0.00 C ATOM 0 H ALA A 74 6.815 -5.267 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 74 7.711 -3.095 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.914 -4.872 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.226 -5.327 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.544 -6.018 -0.727 1.00 0.00 H new ATOM 1092 N GLY A 75 9.763 -2.334 -1.793 1.00 0.00 N ATOM 1093 CA GLY A 75 11.040 -1.896 -2.327 1.00 0.00 C ATOM 1094 C GLY A 75 11.496 -0.579 -1.730 1.00 0.00 C ATOM 1095 O GLY A 75 11.505 -0.414 -0.510 1.00 0.00 O ATOM 0 H GLY A 75 9.157 -1.584 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.793 -2.660 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.962 -1.793 -3.409 1.00 0.00 H new ATOM 1099 N GLU A 76 11.877 0.359 -2.591 1.00 0.00 N ATOM 1100 CA GLU A 76 12.339 1.667 -2.139 1.00 0.00 C ATOM 1101 C GLU A 76 11.640 2.785 -2.906 1.00 0.00 C ATOM 1102 O GLU A 76 11.913 3.009 -4.086 1.00 0.00 O ATOM 1103 CB GLU A 76 13.855 1.784 -2.313 1.00 0.00 C ATOM 1104 CG GLU A 76 14.451 3.009 -1.641 1.00 0.00 C ATOM 1105 CD GLU A 76 15.950 2.895 -1.444 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.635 2.407 -2.367 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.438 3.294 -0.366 1.00 0.00 O ATOM 0 H GLU A 76 11.875 0.238 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 76 12.093 1.766 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.329 0.890 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.089 1.814 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.234 3.891 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.971 3.157 -0.673 1.00 0.00 H new ATOM 1114 N TYR A 77 10.736 3.484 -2.229 1.00 0.00 N ATOM 1115 CA TYR A 77 9.995 4.577 -2.846 1.00 0.00 C ATOM 1116 C TYR A 77 10.638 5.923 -2.522 1.00 0.00 C ATOM 1117 O TYR A 77 10.696 6.332 -1.363 1.00 0.00 O ATOM 1118 CB TYR A 77 8.541 4.567 -2.372 1.00 0.00 C ATOM 1119 CG TYR A 77 7.791 3.308 -2.744 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.876 2.167 -1.956 1.00 0.00 C ATOM 1121 CD2 TYR A 77 6.999 3.258 -3.885 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.194 1.014 -2.292 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.312 2.110 -4.228 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.413 0.990 -3.429 1.00 0.00 C ATOM 1125 OH TYR A 77 5.731 -0.156 -3.768 1.00 0.00 O ATOM 0 H TYR A 77 10.499 3.313 -1.252 1.00 0.00 H new ATOM 0 HA TYR A 77 10.019 4.434 -3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.520 4.685 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.023 5.427 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.486 2.182 -1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.919 4.132 -4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.272 0.136 -1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.699 2.089 -5.117 1.00 0.00 H new ATOM 0 HH TYR A 77 6.117 -0.920 -3.291 1.00 0.00 H new ATOM 1135 N SER A 78 11.119 6.605 -3.556 1.00 0.00 N ATOM 1136 CA SER A 78 11.761 7.903 -3.383 1.00 0.00 C ATOM 1137 C SER A 78 10.893 9.019 -3.957 1.00 0.00 C ATOM 1138 O SER A 78 10.336 8.889 -5.047 1.00 0.00 O ATOM 1139 CB SER A 78 13.134 7.911 -4.058 1.00 0.00 C ATOM 1140 OG SER A 78 13.739 6.631 -3.998 1.00 0.00 O ATOM 0 H SER A 78 11.076 6.281 -4.522 1.00 0.00 H new ATOM 0 HA SER A 78 11.888 8.078 -2.315 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.029 8.219 -5.098 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.778 8.644 -3.572 1.00 0.00 H new ATOM 0 HG SER A 78 14.614 6.662 -4.438 1.00 0.00 H new ATOM 1146 N CYS A 79 10.783 10.115 -3.214 1.00 0.00 N ATOM 1147 CA CYS A 79 9.983 11.255 -3.648 1.00 0.00 C ATOM 1148 C CYS A 79 10.856 12.490 -3.844 1.00 0.00 C ATOM 1149 O CYS A 79 11.453 12.997 -2.895 1.00 0.00 O ATOM 1150 CB CYS A 79 8.884 11.551 -2.626 1.00 0.00 C ATOM 1151 SG CYS A 79 7.417 12.341 -3.328 1.00 0.00 S ATOM 0 H CYS A 79 11.237 10.238 -2.309 1.00 0.00 H new ATOM 0 HA CYS A 79 9.524 11.002 -4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.587 10.618 -2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.292 12.194 -1.846 1.00 0.00 H new ATOM 0 HG CYS A 79 6.446 11.479 -3.386 1.00 0.00 H new ATOM 1157 N MET A 80 10.928 12.967 -5.082 1.00 0.00 N ATOM 1158 CA MET A 80 11.729 14.142 -5.403 1.00 0.00 C ATOM 1159 C MET A 80 10.876 15.406 -5.375 1.00 0.00 C ATOM 1160 O MET A 80 9.846 15.486 -6.045 1.00 0.00 O ATOM 1161 CB MET A 80 12.379 13.982 -6.779 1.00 0.00 C ATOM 1162 CG MET A 80 12.973 12.603 -7.014 1.00 0.00 C ATOM 1163 SD MET A 80 14.026 12.540 -8.477 1.00 0.00 S ATOM 1164 CE MET A 80 14.252 10.772 -8.655 1.00 0.00 C ATOM 0 H MET A 80 10.441 12.558 -5.879 1.00 0.00 H new ATOM 0 HA MET A 80 12.510 14.235 -4.648 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.634 14.184 -7.549 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.164 14.730 -6.890 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.554 12.308 -6.140 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.166 11.878 -7.120 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.335 10.520 -9.712 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.161 10.467 -8.137 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.397 10.251 -8.224 1.00 0.00 H new ATOM 1174 N CYS A 81 11.311 16.390 -4.596 1.00 0.00 N ATOM 1175 CA CYS A 81 10.586 17.651 -4.479 1.00 0.00 C ATOM 1176 C CYS A 81 11.525 18.838 -4.668 1.00 0.00 C ATOM 1177 O CYS A 81 12.189 19.272 -3.727 1.00 0.00 O ATOM 1178 CB CYS A 81 9.895 17.742 -3.118 1.00 0.00 C ATOM 1179 SG CYS A 81 9.184 19.365 -2.758 1.00 0.00 S ATOM 0 H CYS A 81 12.162 16.339 -4.036 1.00 0.00 H new ATOM 0 HA CYS A 81 9.830 17.681 -5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.104 16.993 -3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 81 10.616 17.492 -2.339 1.00 0.00 H new ATOM 0 HG CYS A 81 10.077 20.286 -2.966 1.00 0.00 H new ATOM 1185 N GLY A 82 11.576 19.357 -5.890 1.00 0.00 N ATOM 1186 CA GLY A 82 12.438 20.488 -6.180 1.00 0.00 C ATOM 1187 C GLY A 82 13.894 20.086 -6.320 1.00 0.00 C ATOM 1188 O GLY A 82 14.319 19.633 -7.382 1.00 0.00 O ATOM 0 H GLY A 82 11.036 19.015 -6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.106 20.967 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.343 21.227 -5.384 1.00 0.00 H new ATOM 1192 N GLN A 83 14.658 20.255 -5.246 1.00 0.00 N ATOM 1193 CA GLN A 83 16.074 19.910 -5.255 1.00 0.00 C ATOM 1194 C GLN A 83 16.364 18.778 -4.274 1.00 0.00 C ATOM 1195 O GLN A 83 17.258 17.963 -4.500 1.00 0.00 O ATOM 1196 CB GLN A 83 16.922 21.134 -4.904 1.00 0.00 C ATOM 1197 CG GLN A 83 16.910 22.210 -5.978 1.00 0.00 C ATOM 1198 CD GLN A 83 17.184 21.656 -7.362 1.00 0.00 C ATOM 1199 OE1 GLN A 83 17.818 20.611 -7.511 1.00 0.00 O ATOM 1200 NE2 GLN A 83 16.706 22.355 -8.385 1.00 0.00 N ATOM 0 H GLN A 83 14.320 20.629 -4.359 1.00 0.00 H new ATOM 0 HA GLN A 83 16.334 19.573 -6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.559 21.561 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.950 20.816 -4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.941 22.709 -5.976 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.658 22.965 -5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 83 16.186 23.216 -8.216 1.00 0.00 H new ATOM 0 HE22 GLN A 83 16.859 22.031 -9.340 1.00 0.00 H new ATOM 1209 N GLU A 84 15.603 18.734 -3.186 1.00 0.00 N ATOM 1210 CA GLU A 84 15.780 17.702 -2.171 1.00 0.00 C ATOM 1211 C GLU A 84 15.110 16.399 -2.597 1.00 0.00 C ATOM 1212 O GLU A 84 14.364 16.364 -3.576 1.00 0.00 O ATOM 1213 CB GLU A 84 15.206 18.169 -0.831 1.00 0.00 C ATOM 1214 CG GLU A 84 16.201 18.938 0.022 1.00 0.00 C ATOM 1215 CD GLU A 84 17.484 18.165 0.261 1.00 0.00 C ATOM 1216 OE1 GLU A 84 17.502 17.316 1.177 1.00 0.00 O ATOM 1217 OE2 GLU A 84 18.469 18.410 -0.466 1.00 0.00 O ATOM 0 H GLU A 84 14.858 19.401 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 84 16.849 17.521 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.337 18.799 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.856 17.301 -0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.437 19.884 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.742 19.179 0.981 1.00 0.00 H new ATOM 1224 N ARG A 85 15.381 15.331 -1.855 1.00 0.00 N ATOM 1225 CA ARG A 85 14.807 14.025 -2.156 1.00 0.00 C ATOM 1226 C ARG A 85 14.866 13.111 -0.936 1.00 0.00 C ATOM 1227 O ARG A 85 15.763 13.228 -0.101 1.00 0.00 O ATOM 1228 CB ARG A 85 15.546 13.377 -3.329 1.00 0.00 C ATOM 1229 CG ARG A 85 15.052 11.979 -3.662 1.00 0.00 C ATOM 1230 CD ARG A 85 15.670 11.463 -4.952 1.00 0.00 C ATOM 1231 NE ARG A 85 17.008 10.919 -4.738 1.00 0.00 N ATOM 1232 CZ ARG A 85 18.107 11.666 -4.700 1.00 0.00 C ATOM 1233 NH1 ARG A 85 18.026 12.980 -4.858 1.00 0.00 N ATOM 1234 NH2 ARG A 85 19.289 11.098 -4.501 1.00 0.00 N ATOM 0 H ARG A 85 15.995 15.344 -1.040 1.00 0.00 H new ATOM 0 HA ARG A 85 13.762 14.170 -2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.439 14.010 -4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.610 13.332 -3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.296 11.301 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.966 11.988 -3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.029 10.691 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.720 12.273 -5.679 1.00 0.00 H new ATOM 0 HE ARG A 85 17.105 9.912 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.119 13.421 -5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.871 13.550 -4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.355 10.088 -4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.132 11.672 -4.472 1.00 0.00 H new ATOM 1248 N THR A 86 13.903 12.199 -0.839 1.00 0.00 N ATOM 1249 CA THR A 86 13.844 11.266 0.279 1.00 0.00 C ATOM 1250 C THR A 86 13.301 9.912 -0.163 1.00 0.00 C ATOM 1251 O THR A 86 12.620 9.809 -1.184 1.00 0.00 O ATOM 1252 CB THR A 86 12.964 11.811 1.420 1.00 0.00 C ATOM 1253 OG1 THR A 86 12.983 10.905 2.528 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.532 12.015 0.949 1.00 0.00 C ATOM 0 H THR A 86 13.153 12.087 -1.522 1.00 0.00 H new ATOM 0 HA THR A 86 14.864 11.144 0.643 1.00 0.00 H new ATOM 0 HB THR A 86 13.367 12.774 1.732 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.481 11.306 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.930 12.400 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.518 12.728 0.124 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.120 11.063 0.613 1.00 0.00 H new ATOM 1262 N SER A 87 13.605 8.876 0.611 1.00 0.00 N ATOM 1263 CA SER A 87 13.149 7.527 0.297 1.00 0.00 C ATOM 1264 C SER A 87 12.713 6.792 1.562 1.00 0.00 C ATOM 1265 O SER A 87 13.195 7.080 2.657 1.00 0.00 O ATOM 1266 CB SER A 87 14.259 6.741 -0.405 1.00 0.00 C ATOM 1267 OG SER A 87 15.434 6.702 0.385 1.00 0.00 O ATOM 0 H SER A 87 14.165 8.945 1.461 1.00 0.00 H new ATOM 0 HA SER A 87 12.291 7.607 -0.371 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.918 5.725 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.480 7.200 -1.369 1.00 0.00 H new ATOM 0 HG SER A 87 16.127 6.193 -0.085 1.00 0.00 H new ATOM 1273 N ALA A 88 11.798 5.842 1.401 1.00 0.00 N ATOM 1274 CA ALA A 88 11.297 5.065 2.527 1.00 0.00 C ATOM 1275 C ALA A 88 11.026 3.620 2.120 1.00 0.00 C ATOM 1276 O ALA A 88 10.109 3.344 1.346 1.00 0.00 O ATOM 1277 CB ALA A 88 10.036 5.703 3.090 1.00 0.00 C ATOM 0 H ALA A 88 11.389 5.592 0.501 1.00 0.00 H new ATOM 0 HA ALA A 88 12.064 5.059 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.673 5.112 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.260 6.715 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.270 5.740 2.315 1.00 0.00 H new ATOM 1283 N THR A 89 11.830 2.701 2.646 1.00 0.00 N ATOM 1284 CA THR A 89 11.678 1.285 2.336 1.00 0.00 C ATOM 1285 C THR A 89 10.380 0.732 2.914 1.00 0.00 C ATOM 1286 O THR A 89 10.207 0.674 4.132 1.00 0.00 O ATOM 1287 CB THR A 89 12.861 0.461 2.878 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.085 0.918 2.293 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.672 -1.018 2.579 1.00 0.00 C ATOM 0 H THR A 89 12.593 2.912 3.289 1.00 0.00 H new ATOM 0 HA THR A 89 11.654 1.200 1.250 1.00 0.00 H new ATOM 0 HB THR A 89 12.903 0.595 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.832 0.390 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.520 -1.580 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.754 -1.370 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.606 -1.166 1.501 1.00 0.00 H new ATOM 1297 N LEU A 90 9.472 0.326 2.035 1.00 0.00 N ATOM 1298 CA LEU A 90 8.189 -0.224 2.458 1.00 0.00 C ATOM 1299 C LEU A 90 8.335 -1.681 2.884 1.00 0.00 C ATOM 1300 O LEU A 90 9.224 -2.391 2.414 1.00 0.00 O ATOM 1301 CB LEU A 90 7.165 -0.111 1.327 1.00 0.00 C ATOM 1302 CG LEU A 90 5.902 -0.961 1.478 1.00 0.00 C ATOM 1303 CD1 LEU A 90 4.887 -0.256 2.363 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.301 -1.269 0.114 1.00 0.00 C ATOM 0 H LEU A 90 9.600 0.367 1.024 1.00 0.00 H new ATOM 0 HA LEU A 90 7.839 0.352 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.867 0.934 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.654 -0.385 0.392 1.00 0.00 H new ATOM 0 HG LEU A 90 6.175 -1.903 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.995 -0.876 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.319 -0.087 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.617 0.701 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.403 -1.874 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.042 -0.337 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.026 -1.817 -0.488 1.00 0.00 H new ATOM 1316 N THR A 91 7.454 -2.123 3.777 1.00 0.00 N ATOM 1317 CA THR A 91 7.484 -3.495 4.266 1.00 0.00 C ATOM 1318 C THR A 91 6.224 -4.251 3.860 1.00 0.00 C ATOM 1319 O THR A 91 5.108 -3.798 4.113 1.00 0.00 O ATOM 1320 CB THR A 91 7.627 -3.543 5.799 1.00 0.00 C ATOM 1321 OG1 THR A 91 8.831 -2.880 6.199 1.00 0.00 O ATOM 1322 CG2 THR A 91 7.644 -4.980 6.296 1.00 0.00 C ATOM 0 H THR A 91 6.711 -1.550 4.176 1.00 0.00 H new ATOM 0 HA THR A 91 8.353 -3.973 3.813 1.00 0.00 H new ATOM 0 HB THR A 91 6.769 -3.034 6.238 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.914 -2.913 7.175 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.746 -4.988 7.381 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.714 -5.473 6.015 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.485 -5.510 5.849 1.00 0.00 H new ATOM 1330 N VAL A 92 6.409 -5.407 3.230 1.00 0.00 N ATOM 1331 CA VAL A 92 5.287 -6.227 2.791 1.00 0.00 C ATOM 1332 C VAL A 92 5.353 -7.622 3.403 1.00 0.00 C ATOM 1333 O VAL A 92 6.249 -8.405 3.091 1.00 0.00 O ATOM 1334 CB VAL A 92 5.250 -6.352 1.257 1.00 0.00 C ATOM 1335 CG1 VAL A 92 4.050 -7.178 0.817 1.00 0.00 C ATOM 1336 CG2 VAL A 92 5.225 -4.976 0.610 1.00 0.00 C ATOM 0 H VAL A 92 7.326 -5.797 3.012 1.00 0.00 H new ATOM 0 HA VAL A 92 4.379 -5.728 3.129 1.00 0.00 H new ATOM 0 HB VAL A 92 6.154 -6.865 0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.041 -7.255 -0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.116 -8.176 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.133 -6.695 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.199 -5.084 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.340 -4.434 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.119 -4.422 0.898 1.00 0.00 H new ATOM 1346 N ARG A 93 4.397 -7.925 4.275 1.00 0.00 N ATOM 1347 CA ARG A 93 4.347 -9.226 4.932 1.00 0.00 C ATOM 1348 C ARG A 93 3.519 -10.215 4.116 1.00 0.00 C ATOM 1349 O ARG A 93 2.350 -9.968 3.822 1.00 0.00 O ATOM 1350 CB ARG A 93 3.758 -9.089 6.337 1.00 0.00 C ATOM 1351 CG ARG A 93 4.762 -8.618 7.375 1.00 0.00 C ATOM 1352 CD ARG A 93 5.476 -9.789 8.032 1.00 0.00 C ATOM 1353 NE ARG A 93 6.571 -10.294 7.208 1.00 0.00 N ATOM 1354 CZ ARG A 93 7.684 -9.611 6.965 1.00 0.00 C ATOM 1355 NH1 ARG A 93 7.848 -8.400 7.480 1.00 0.00 N ATOM 1356 NH2 ARG A 93 8.635 -10.138 6.205 1.00 0.00 N ATOM 0 H ARG A 93 3.647 -7.288 4.543 1.00 0.00 H new ATOM 0 HA ARG A 93 5.366 -9.607 5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.925 -8.387 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.352 -10.052 6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.494 -7.963 6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.251 -8.029 8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.865 -9.478 9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.762 -10.591 8.217 1.00 0.00 H new ATOM 0 HE ARG A 93 6.476 -11.222 6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.119 -7.991 8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.704 -7.877 7.292 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.512 -11.069 5.806 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.489 -9.612 6.019 1.00 0.00 H new ATOM 1370 N ALA A 94 4.135 -11.336 3.753 1.00 0.00 N ATOM 1371 CA ALA A 94 3.456 -12.363 2.973 1.00 0.00 C ATOM 1372 C ALA A 94 2.382 -13.060 3.801 1.00 0.00 C ATOM 1373 O ALA A 94 2.546 -13.263 5.005 1.00 0.00 O ATOM 1374 CB ALA A 94 4.461 -13.376 2.446 1.00 0.00 C ATOM 0 H ALA A 94 5.103 -11.555 3.987 1.00 0.00 H new ATOM 0 HA ALA A 94 2.968 -11.879 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.940 -14.137 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.189 -12.870 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.976 -13.847 3.283 1.00 0.00 H new ATOM 1380 N LEU A 95 1.283 -13.425 3.150 1.00 0.00 N ATOM 1381 CA LEU A 95 0.181 -14.101 3.826 1.00 0.00 C ATOM 1382 C LEU A 95 0.673 -15.345 4.559 1.00 0.00 C ATOM 1383 O LEU A 95 1.643 -15.989 4.158 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.904 -14.484 2.818 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.682 -13.324 2.197 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -3.098 -13.758 1.848 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.705 -12.131 3.140 1.00 0.00 C ATOM 0 H LEU A 95 1.131 -13.264 2.154 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.240 -13.413 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.440 -15.055 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.613 -15.148 3.312 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.178 -13.025 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.637 -12.920 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.061 -14.581 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.612 -14.085 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.263 -11.315 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.184 -12.417 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.684 -11.805 3.339 1.00 0.00 H new ATOM 1399 N PRO A 96 -0.012 -15.693 5.658 1.00 0.00 N ATOM 1400 CA PRO A 96 0.335 -16.864 6.469 1.00 0.00 C ATOM 1401 C PRO A 96 0.039 -18.176 5.750 1.00 0.00 C ATOM 1402 O PRO A 96 -1.091 -18.423 5.330 1.00 0.00 O ATOM 1403 CB PRO A 96 -0.558 -16.718 7.704 1.00 0.00 C ATOM 1404 CG PRO A 96 -1.719 -15.910 7.238 1.00 0.00 C ATOM 1405 CD PRO A 96 -1.178 -14.972 6.194 1.00 0.00 C ATOM 0 HA PRO A 96 1.400 -16.900 6.698 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.877 -17.690 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.030 -16.220 8.518 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.498 -16.549 6.822 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.167 -15.358 8.064 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.915 -14.767 5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.893 -14.012 6.625 1.00 0.00 H new ATOM 1413 N ALA A 97 1.062 -19.013 5.611 1.00 0.00 N ATOM 1414 CA ALA A 97 0.910 -20.301 4.944 1.00 0.00 C ATOM 1415 C ALA A 97 0.274 -21.328 5.874 1.00 0.00 C ATOM 1416 O ALA A 97 -0.161 -22.393 5.433 1.00 0.00 O ATOM 1417 CB ALA A 97 2.259 -20.799 4.447 1.00 0.00 C ATOM 0 H ALA A 97 2.005 -18.823 5.951 1.00 0.00 H new ATOM 0 HA ALA A 97 0.248 -20.165 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.131 -21.761 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.675 -20.080 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.938 -20.913 5.292 1.00 0.00 H new ATOM 1423 N ARG A 98 0.223 -21.004 7.162 1.00 0.00 N ATOM 1424 CA ARG A 98 -0.358 -21.900 8.153 1.00 0.00 C ATOM 1425 C ARG A 98 -1.753 -21.432 8.558 1.00 0.00 C ATOM 1426 O ARG A 98 -2.317 -21.907 9.544 1.00 0.00 O ATOM 1427 CB ARG A 98 0.541 -21.982 9.388 1.00 0.00 C ATOM 1428 CG ARG A 98 0.637 -20.676 10.159 1.00 0.00 C ATOM 1429 CD ARG A 98 -0.548 -20.492 11.094 1.00 0.00 C ATOM 1430 NE ARG A 98 -0.235 -19.598 12.205 1.00 0.00 N ATOM 1431 CZ ARG A 98 -1.067 -19.360 13.213 1.00 0.00 C ATOM 1432 NH1 ARG A 98 -2.255 -19.947 13.249 1.00 0.00 N ATOM 1433 NH2 ARG A 98 -0.710 -18.534 14.189 1.00 0.00 N ATOM 0 H ARG A 98 0.577 -20.127 7.543 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.441 -22.890 7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 98 0.162 -22.759 10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.541 -22.286 9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.562 -20.660 10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.682 -19.842 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.393 -20.092 10.534 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.855 -21.462 11.485 1.00 0.00 H new ATOM 0 HE ARG A 98 0.672 -19.131 12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.532 -20.583 12.502 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.892 -19.762 14.024 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.204 -18.081 14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.350 -18.352 14.962 1.00 0.00 H new ATOM 1447 N PHE A 99 -2.304 -20.498 7.789 1.00 0.00 N ATOM 1448 CA PHE A 99 -3.632 -19.965 8.068 1.00 0.00 C ATOM 1449 C PHE A 99 -4.600 -21.083 8.444 1.00 0.00 C ATOM 1450 O PHE A 99 -5.140 -21.108 9.550 1.00 0.00 O ATOM 1451 CB PHE A 99 -4.164 -19.202 6.853 1.00 0.00 C ATOM 1452 CG PHE A 99 -5.663 -19.114 6.809 1.00 0.00 C ATOM 1453 CD1 PHE A 99 -6.367 -18.535 7.852 1.00 0.00 C ATOM 1454 CD2 PHE A 99 -6.367 -19.612 5.724 1.00 0.00 C ATOM 1455 CE1 PHE A 99 -7.746 -18.452 7.814 1.00 0.00 C ATOM 1456 CE2 PHE A 99 -7.746 -19.531 5.681 1.00 0.00 C ATOM 1457 CZ PHE A 99 -8.437 -18.952 6.728 1.00 0.00 C ATOM 0 H PHE A 99 -1.851 -20.095 6.968 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.551 -19.280 8.912 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.749 -18.194 6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.810 -19.689 5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.832 -18.144 8.705 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.833 -20.068 4.904 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.283 -17.996 8.633 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -8.283 -19.920 4.829 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.515 -18.891 6.697 1.00 0.00 H new ATOM 1467 N THR A 100 -4.816 -22.008 7.513 1.00 0.00 N ATOM 1468 CA THR A 100 -5.719 -23.128 7.744 1.00 0.00 C ATOM 1469 C THR A 100 -4.949 -24.435 7.892 1.00 0.00 C ATOM 1470 O THR A 100 -4.074 -24.744 7.083 1.00 0.00 O ATOM 1471 CB THR A 100 -6.739 -23.273 6.599 1.00 0.00 C ATOM 1472 OG1 THR A 100 -7.751 -24.220 6.961 1.00 0.00 O ATOM 1473 CG2 THR A 100 -6.053 -23.721 5.317 1.00 0.00 C ATOM 0 H THR A 100 -4.377 -22.003 6.592 1.00 0.00 H new ATOM 0 HA THR A 100 -6.252 -22.917 8.671 1.00 0.00 H new ATOM 0 HB THR A 100 -7.198 -22.300 6.426 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.396 -24.305 6.228 1.00 0.00 H new ATOM 0 HG21 THR A 100 -6.793 -23.817 4.523 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.304 -22.984 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.570 -24.684 5.480 1.00 0.00 H new ATOM 1481 N GLU A 101 -5.279 -25.198 8.928 1.00 0.00 N ATOM 1482 CA GLU A 101 -4.616 -26.472 9.180 1.00 0.00 C ATOM 1483 C GLU A 101 -4.695 -27.378 7.955 1.00 0.00 C ATOM 1484 O GLU A 101 -5.777 -27.797 7.547 1.00 0.00 O ATOM 1485 CB GLU A 101 -5.248 -27.171 10.386 1.00 0.00 C ATOM 1486 CG GLU A 101 -4.555 -28.468 10.769 1.00 0.00 C ATOM 1487 CD GLU A 101 -5.059 -29.657 9.974 1.00 0.00 C ATOM 1488 OE1 GLU A 101 -6.235 -29.634 9.553 1.00 0.00 O ATOM 1489 OE2 GLU A 101 -4.278 -30.609 9.772 1.00 0.00 O ATOM 0 H GLU A 101 -6.001 -24.957 9.607 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.567 -26.270 9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -5.229 -26.493 11.239 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.295 -27.379 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.481 -28.361 10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.706 -28.656 11.832 1.00 0.00 H new ATOM 1496 N GLY A 102 -3.538 -27.675 7.371 1.00 0.00 N ATOM 1497 CA GLY A 102 -3.496 -28.528 6.197 1.00 0.00 C ATOM 1498 C GLY A 102 -2.115 -28.594 5.577 1.00 0.00 C ATOM 1499 O GLY A 102 -1.731 -29.616 5.008 1.00 0.00 O ATOM 0 H GLY A 102 -2.629 -27.340 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.816 -29.533 6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.206 -28.158 5.457 1.00 0.00 H new ATOM 1503 N SER A 103 -1.366 -27.501 5.685 1.00 0.00 N ATOM 1504 CA SER A 103 -0.022 -27.437 5.125 1.00 0.00 C ATOM 1505 C SER A 103 0.734 -28.738 5.376 1.00 0.00 C ATOM 1506 O SER A 103 1.558 -29.158 4.565 1.00 0.00 O ATOM 1507 CB SER A 103 0.750 -26.262 5.728 1.00 0.00 C ATOM 1508 OG SER A 103 0.529 -26.170 7.124 1.00 0.00 O ATOM 0 H SER A 103 -1.668 -26.648 6.155 1.00 0.00 H new ATOM 0 HA SER A 103 -0.111 -27.290 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.815 -26.384 5.533 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.442 -25.334 5.246 1.00 0.00 H new ATOM 0 HG SER A 103 1.035 -25.412 7.486 1.00 0.00 H new ATOM 1514 N GLY A 104 0.446 -29.373 6.509 1.00 0.00 N ATOM 1515 CA GLY A 104 1.106 -30.620 6.849 1.00 0.00 C ATOM 1516 C GLY A 104 1.891 -30.527 8.142 1.00 0.00 C ATOM 1517 O GLY A 104 3.100 -30.292 8.144 1.00 0.00 O ATOM 0 H GLY A 104 -0.232 -29.046 7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.360 -31.410 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.778 -30.904 6.039 1.00 0.00 H new ATOM 1521 N PRO A 105 1.197 -30.712 9.275 1.00 0.00 N ATOM 1522 CA PRO A 105 1.816 -30.651 10.602 1.00 0.00 C ATOM 1523 C PRO A 105 2.745 -31.831 10.863 1.00 0.00 C ATOM 1524 O PRO A 105 3.331 -31.946 11.939 1.00 0.00 O ATOM 1525 CB PRO A 105 0.619 -30.692 11.555 1.00 0.00 C ATOM 1526 CG PRO A 105 -0.454 -31.382 10.785 1.00 0.00 C ATOM 1527 CD PRO A 105 -0.246 -30.995 9.347 1.00 0.00 C ATOM 0 HA PRO A 105 2.441 -29.766 10.719 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.860 -31.233 12.470 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.312 -29.688 11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.391 -32.463 10.911 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.441 -31.077 11.132 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.532 -31.799 8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.841 -30.123 9.076 1.00 0.00 H new ATOM 1535 N SER A 106 2.876 -32.706 9.871 1.00 0.00 N ATOM 1536 CA SER A 106 3.732 -33.880 9.995 1.00 0.00 C ATOM 1537 C SER A 106 3.214 -34.818 11.082 1.00 0.00 C ATOM 1538 O SER A 106 3.954 -35.208 11.984 1.00 0.00 O ATOM 1539 CB SER A 106 5.168 -33.459 10.311 1.00 0.00 C ATOM 1540 OG SER A 106 6.099 -34.395 9.794 1.00 0.00 O ATOM 0 H SER A 106 2.400 -32.624 8.972 1.00 0.00 H new ATOM 0 HA SER A 106 3.718 -34.412 9.044 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.363 -32.474 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.296 -33.372 11.390 1.00 0.00 H new ATOM 0 HG SER A 106 7.010 -34.103 10.008 1.00 0.00 H new ATOM 1546 N SER A 107 1.937 -35.174 10.988 1.00 0.00 N ATOM 1547 CA SER A 107 1.318 -36.062 11.964 1.00 0.00 C ATOM 1548 C SER A 107 1.559 -37.524 11.599 1.00 0.00 C ATOM 1549 O SER A 107 2.260 -37.827 10.634 1.00 0.00 O ATOM 1550 CB SER A 107 -0.185 -35.788 12.053 1.00 0.00 C ATOM 1551 OG SER A 107 -0.437 -34.491 12.564 1.00 0.00 O ATOM 0 H SER A 107 1.311 -34.861 10.246 1.00 0.00 H new ATOM 0 HA SER A 107 1.774 -35.868 12.935 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.635 -35.887 11.065 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.656 -36.533 12.694 1.00 0.00 H new ATOM 0 HG SER A 107 -1.404 -34.340 12.610 1.00 0.00 H new ATOM 1557 N GLY A 108 0.971 -38.427 12.378 1.00 0.00 N ATOM 1558 CA GLY A 108 1.133 -39.846 12.122 1.00 0.00 C ATOM 1559 C GLY A 108 0.690 -40.701 13.292 1.00 0.00 C ATOM 1560 O GLY A 108 -0.306 -41.419 13.202 1.00 0.00 O ATOM 0 H GLY A 108 0.385 -38.201 13.182 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.558 -40.120 11.237 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.179 -40.055 11.899 1.00 0.00 H new TER 1564 GLY A 108