USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 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 19 MET CE :methyl 164:sc= -0.24 (180deg=-0.396) USER MOD Set 1.2: A 42 MET CE :methyl 180:sc= -0.0766 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 66:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -103:sc= 0.166 USER MOD Single : A 35 ASN : amide:sc= -1.24 K(o=-1.2,f=-4.3!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-6.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.862 -12.294 2.762 1.00 0.00 N ATOM 2 CA GLY A 1 21.509 -13.366 1.847 1.00 0.00 C ATOM 3 C GLY A 1 22.667 -13.680 0.898 1.00 0.00 C ATOM 4 O GLY A 1 22.679 -13.226 -0.245 1.00 0.00 O ATOM 0 H1 GLY A 1 21.060 -12.100 3.395 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.688 -12.577 3.327 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.091 -11.436 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.245 -14.260 2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.629 -13.082 1.271 1.00 0.00 H new ATOM 8 N SER A 2 23.613 -14.456 1.407 1.00 0.00 N ATOM 9 CA SER A 2 24.773 -14.837 0.619 1.00 0.00 C ATOM 10 C SER A 2 25.550 -13.589 0.195 1.00 0.00 C ATOM 11 O SER A 2 25.062 -12.470 0.342 1.00 0.00 O ATOM 12 CB SER A 2 24.361 -15.648 -0.611 1.00 0.00 C ATOM 13 OG SER A 2 25.041 -16.899 -0.677 1.00 0.00 O ATOM 0 H SER A 2 23.600 -14.831 2.355 1.00 0.00 H new ATOM 0 HA SER A 2 25.415 -15.465 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.285 -15.821 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.572 -15.072 -1.512 1.00 0.00 H new ATOM 0 HG SER A 2 24.750 -17.388 -1.475 1.00 0.00 H new ATOM 19 N SER A 3 26.747 -13.824 -0.322 1.00 0.00 N ATOM 20 CA SER A 3 27.597 -12.733 -0.768 1.00 0.00 C ATOM 21 C SER A 3 26.764 -11.695 -1.522 1.00 0.00 C ATOM 22 O SER A 3 25.906 -12.050 -2.329 1.00 0.00 O ATOM 23 CB SER A 3 28.733 -13.247 -1.654 1.00 0.00 C ATOM 24 OG SER A 3 28.247 -13.994 -2.766 1.00 0.00 O ATOM 0 H SER A 3 27.148 -14.754 -0.442 1.00 0.00 H new ATOM 0 HA SER A 3 28.041 -12.264 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.322 -12.403 -2.014 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.401 -13.872 -1.061 1.00 0.00 H new ATOM 0 HG SER A 3 29.003 -14.303 -3.308 1.00 0.00 H new ATOM 30 N GLY A 4 27.045 -10.433 -1.232 1.00 0.00 N ATOM 31 CA GLY A 4 26.332 -9.341 -1.873 1.00 0.00 C ATOM 32 C GLY A 4 27.304 -8.376 -2.554 1.00 0.00 C ATOM 33 O GLY A 4 27.473 -8.416 -3.771 1.00 0.00 O ATOM 0 H GLY A 4 27.757 -10.142 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.635 -9.740 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.740 -8.804 -1.132 1.00 0.00 H new ATOM 37 N SER A 5 27.918 -7.531 -1.738 1.00 0.00 N ATOM 38 CA SER A 5 28.869 -6.558 -2.246 1.00 0.00 C ATOM 39 C SER A 5 28.345 -5.944 -3.546 1.00 0.00 C ATOM 40 O SER A 5 28.768 -6.331 -4.634 1.00 0.00 O ATOM 41 CB SER A 5 30.241 -7.195 -2.476 1.00 0.00 C ATOM 42 OG SER A 5 30.669 -7.958 -1.351 1.00 0.00 O ATOM 0 H SER A 5 27.775 -7.501 -0.729 1.00 0.00 H new ATOM 0 HA SER A 5 28.984 -5.772 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 5 30.200 -7.837 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.973 -6.415 -2.685 1.00 0.00 H new ATOM 0 HG SER A 5 31.548 -8.350 -1.537 1.00 0.00 H new ATOM 48 N SER A 6 27.432 -4.997 -3.390 1.00 0.00 N ATOM 49 CA SER A 6 26.846 -4.325 -4.538 1.00 0.00 C ATOM 50 C SER A 6 26.570 -2.859 -4.202 1.00 0.00 C ATOM 51 O SER A 6 26.649 -2.458 -3.041 1.00 0.00 O ATOM 52 CB SER A 6 25.557 -5.019 -4.983 1.00 0.00 C ATOM 53 OG SER A 6 25.714 -5.688 -6.231 1.00 0.00 O ATOM 0 H SER A 6 27.083 -4.679 -2.486 1.00 0.00 H new ATOM 0 HA SER A 6 27.557 -4.374 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.251 -5.738 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.758 -4.282 -5.065 1.00 0.00 H new ATOM 0 HG SER A 6 24.870 -6.119 -6.479 1.00 0.00 H new ATOM 59 N GLY A 7 26.252 -2.097 -5.238 1.00 0.00 N ATOM 60 CA GLY A 7 25.964 -0.683 -5.067 1.00 0.00 C ATOM 61 C GLY A 7 25.064 -0.449 -3.852 1.00 0.00 C ATOM 62 O GLY A 7 25.537 -0.030 -2.797 1.00 0.00 O ATOM 0 H GLY A 7 26.187 -2.432 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.896 -0.131 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.479 -0.296 -5.963 1.00 0.00 H new ATOM 66 N ALA A 8 23.783 -0.731 -4.041 1.00 0.00 N ATOM 67 CA ALA A 8 22.813 -0.557 -2.974 1.00 0.00 C ATOM 68 C ALA A 8 21.781 -1.685 -3.040 1.00 0.00 C ATOM 69 O ALA A 8 21.042 -1.799 -4.016 1.00 0.00 O ATOM 70 CB ALA A 8 22.172 0.827 -3.088 1.00 0.00 C ATOM 0 H ALA A 8 23.395 -1.079 -4.918 1.00 0.00 H new ATOM 0 HA ALA A 8 23.299 -0.612 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.444 0.958 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.943 1.593 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 8 21.671 0.918 -4.052 1.00 0.00 H new ATOM 76 N GLU A 9 21.765 -2.491 -1.988 1.00 0.00 N ATOM 77 CA GLU A 9 20.836 -3.606 -1.914 1.00 0.00 C ATOM 78 C GLU A 9 20.565 -3.975 -0.454 1.00 0.00 C ATOM 79 O GLU A 9 21.238 -4.840 0.106 1.00 0.00 O ATOM 80 CB GLU A 9 21.362 -4.811 -2.696 1.00 0.00 C ATOM 81 CG GLU A 9 20.634 -4.957 -4.033 1.00 0.00 C ATOM 82 CD GLU A 9 21.469 -5.766 -5.028 1.00 0.00 C ATOM 83 OE1 GLU A 9 22.599 -5.316 -5.317 1.00 0.00 O ATOM 84 OE2 GLU A 9 20.960 -6.816 -5.475 1.00 0.00 O ATOM 0 H GLU A 9 22.380 -2.394 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 9 19.895 -3.301 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 9 22.432 -4.697 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 9 21.231 -5.718 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.673 -5.447 -3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.425 -3.970 -4.446 1.00 0.00 H new ATOM 91 N LEU A 10 19.579 -3.302 0.121 1.00 0.00 N ATOM 92 CA LEU A 10 19.212 -3.549 1.505 1.00 0.00 C ATOM 93 C LEU A 10 18.529 -4.914 1.611 1.00 0.00 C ATOM 94 O LEU A 10 19.050 -5.824 2.253 1.00 0.00 O ATOM 95 CB LEU A 10 18.367 -2.395 2.048 1.00 0.00 C ATOM 96 CG LEU A 10 19.105 -1.075 2.282 1.00 0.00 C ATOM 97 CD1 LEU A 10 19.272 -0.301 0.974 1.00 0.00 C ATOM 98 CD2 LEU A 10 18.408 -0.240 3.358 1.00 0.00 C ATOM 0 H LEU A 10 19.023 -2.586 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 10 20.101 -3.587 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.548 -2.212 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 10 17.920 -2.710 2.991 1.00 0.00 H new ATOM 0 HG LEU A 10 20.105 -1.304 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 10 19.799 0.633 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 10 19.845 -0.901 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.291 -0.082 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.953 0.693 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 10 17.388 -0.019 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.386 -0.798 4.294 1.00 0.00 H new ATOM 110 N THR A 11 17.373 -5.013 0.971 1.00 0.00 N ATOM 111 CA THR A 11 16.614 -6.252 0.985 1.00 0.00 C ATOM 112 C THR A 11 15.685 -6.322 -0.228 1.00 0.00 C ATOM 113 O THR A 11 15.690 -5.426 -1.071 1.00 0.00 O ATOM 114 CB THR A 11 15.875 -6.338 2.322 1.00 0.00 C ATOM 115 OG1 THR A 11 15.189 -5.093 2.421 1.00 0.00 O ATOM 116 CG2 THR A 11 16.828 -6.334 3.519 1.00 0.00 C ATOM 0 H THR A 11 16.944 -4.256 0.440 1.00 0.00 H new ATOM 0 HA THR A 11 17.270 -7.119 0.903 1.00 0.00 H new ATOM 0 HB THR A 11 15.269 -7.244 2.343 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.682 -5.065 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.252 -6.397 4.443 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.500 -7.189 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.411 -5.413 3.517 1.00 0.00 H new ATOM 124 N ALA A 12 14.909 -7.395 -0.278 1.00 0.00 N ATOM 125 CA ALA A 12 13.976 -7.594 -1.374 1.00 0.00 C ATOM 126 C ALA A 12 12.950 -6.459 -1.377 1.00 0.00 C ATOM 127 O ALA A 12 12.612 -5.925 -2.432 1.00 0.00 O ATOM 128 CB ALA A 12 13.322 -8.971 -1.245 1.00 0.00 C ATOM 0 H ALA A 12 14.907 -8.136 0.423 1.00 0.00 H new ATOM 0 HA ALA A 12 14.497 -7.570 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.622 -9.120 -2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.090 -9.743 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.787 -9.032 -0.297 1.00 0.00 H new ATOM 134 N LEU A 13 12.483 -6.123 -0.183 1.00 0.00 N ATOM 135 CA LEU A 13 11.502 -5.061 -0.034 1.00 0.00 C ATOM 136 C LEU A 13 12.150 -3.722 -0.391 1.00 0.00 C ATOM 137 O LEU A 13 11.823 -3.123 -1.415 1.00 0.00 O ATOM 138 CB LEU A 13 10.886 -5.094 1.366 1.00 0.00 C ATOM 139 CG LEU A 13 9.370 -4.901 1.435 1.00 0.00 C ATOM 140 CD1 LEU A 13 8.922 -3.745 0.539 1.00 0.00 C ATOM 141 CD2 LEU A 13 8.636 -6.202 1.102 1.00 0.00 C ATOM 0 H LEU A 13 12.766 -6.568 0.690 1.00 0.00 H new ATOM 0 HA LEU A 13 10.672 -5.208 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.132 -6.050 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.359 -4.318 1.968 1.00 0.00 H new ATOM 0 HG LEU A 13 9.106 -4.635 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.840 -3.630 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.406 -2.824 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.200 -3.956 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.560 -6.037 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.902 -6.522 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.923 -6.974 1.816 1.00 0.00 H new ATOM 153 N GLU A 14 13.055 -3.290 0.475 1.00 0.00 N ATOM 154 CA GLU A 14 13.751 -2.031 0.264 1.00 0.00 C ATOM 155 C GLU A 14 14.145 -1.882 -1.207 1.00 0.00 C ATOM 156 O GLU A 14 13.940 -0.827 -1.804 1.00 0.00 O ATOM 157 CB GLU A 14 14.977 -1.924 1.173 1.00 0.00 C ATOM 158 CG GLU A 14 14.568 -1.921 2.647 1.00 0.00 C ATOM 159 CD GLU A 14 13.675 -0.720 2.966 1.00 0.00 C ATOM 160 OE1 GLU A 14 14.163 0.416 2.779 1.00 0.00 O ATOM 161 OE2 GLU A 14 12.524 -0.965 3.388 1.00 0.00 O ATOM 0 H GLU A 14 13.323 -3.789 1.324 1.00 0.00 H new ATOM 0 HA GLU A 14 13.075 -1.216 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.651 -2.759 0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 14 15.527 -1.011 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.040 -2.845 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.458 -1.894 3.275 1.00 0.00 H new ATOM 168 N SER A 15 14.703 -2.955 -1.749 1.00 0.00 N ATOM 169 CA SER A 15 15.127 -2.957 -3.139 1.00 0.00 C ATOM 170 C SER A 15 14.020 -2.382 -4.024 1.00 0.00 C ATOM 171 O SER A 15 14.253 -1.445 -4.786 1.00 0.00 O ATOM 172 CB SER A 15 15.497 -4.368 -3.600 1.00 0.00 C ATOM 173 OG SER A 15 16.800 -4.747 -3.164 1.00 0.00 O ATOM 0 H SER A 15 14.871 -3.829 -1.251 1.00 0.00 H new ATOM 0 HA SER A 15 16.015 -2.331 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.765 -5.079 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.450 -4.418 -4.688 1.00 0.00 H new ATOM 0 HG SER A 15 16.811 -4.816 -2.187 1.00 0.00 H new ATOM 179 N LEU A 16 12.839 -2.968 -3.895 1.00 0.00 N ATOM 180 CA LEU A 16 11.695 -2.527 -4.674 1.00 0.00 C ATOM 181 C LEU A 16 11.406 -1.057 -4.360 1.00 0.00 C ATOM 182 O LEU A 16 10.989 -0.302 -5.237 1.00 0.00 O ATOM 183 CB LEU A 16 10.498 -3.452 -4.442 1.00 0.00 C ATOM 184 CG LEU A 16 10.624 -4.866 -5.011 1.00 0.00 C ATOM 185 CD1 LEU A 16 9.247 -5.507 -5.196 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.434 -4.865 -6.309 1.00 0.00 C ATOM 0 H LEU A 16 12.650 -3.745 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 16 11.914 -2.589 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.325 -3.528 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.614 -2.985 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 16 11.170 -5.476 -4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.365 -6.512 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.739 -5.562 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.655 -4.905 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.508 -5.883 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.938 -4.235 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.434 -4.477 -6.114 1.00 0.00 H new ATOM 198 N ILE A 17 11.640 -0.696 -3.107 1.00 0.00 N ATOM 199 CA ILE A 17 11.410 0.669 -2.667 1.00 0.00 C ATOM 200 C ILE A 17 12.438 1.592 -3.323 1.00 0.00 C ATOM 201 O ILE A 17 12.193 2.787 -3.481 1.00 0.00 O ATOM 202 CB ILE A 17 11.403 0.745 -1.138 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.119 0.141 -0.565 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.623 2.182 -0.660 1.00 0.00 C ATOM 205 CD1 ILE A 17 10.250 -0.097 0.941 1.00 0.00 C ATOM 0 H ILE A 17 11.986 -1.325 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 17 10.425 1.011 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 17 12.235 0.149 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.280 0.809 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.900 -0.801 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.614 2.208 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.585 2.543 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.827 2.819 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.324 -0.527 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.074 -0.784 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.445 0.850 1.443 1.00 0.00 H new ATOM 217 N GLU A 18 13.567 1.003 -3.688 1.00 0.00 N ATOM 218 CA GLU A 18 14.633 1.758 -4.324 1.00 0.00 C ATOM 219 C GLU A 18 14.371 1.885 -5.826 1.00 0.00 C ATOM 220 O GLU A 18 15.055 2.638 -6.518 1.00 0.00 O ATOM 221 CB GLU A 18 15.995 1.113 -4.059 1.00 0.00 C ATOM 222 CG GLU A 18 16.801 1.931 -3.048 1.00 0.00 C ATOM 223 CD GLU A 18 18.028 2.564 -3.709 1.00 0.00 C ATOM 224 OE1 GLU A 18 17.843 3.613 -4.363 1.00 0.00 O ATOM 225 OE2 GLU A 18 19.123 1.984 -3.544 1.00 0.00 O ATOM 0 H GLU A 18 13.767 0.012 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 18 14.650 2.758 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.855 0.100 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.551 1.032 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.171 2.711 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.117 1.290 -2.225 1.00 0.00 H new ATOM 232 N MET A 19 13.379 1.137 -6.287 1.00 0.00 N ATOM 233 CA MET A 19 13.017 1.157 -7.694 1.00 0.00 C ATOM 234 C MET A 19 12.020 2.279 -7.988 1.00 0.00 C ATOM 235 O MET A 19 11.721 2.560 -9.148 1.00 0.00 O ATOM 236 CB MET A 19 12.401 -0.189 -8.082 1.00 0.00 C ATOM 237 CG MET A 19 13.479 -1.178 -8.528 1.00 0.00 C ATOM 238 SD MET A 19 12.797 -2.336 -9.702 1.00 0.00 S ATOM 239 CE MET A 19 13.575 -3.841 -9.141 1.00 0.00 C ATOM 0 H MET A 19 12.815 0.513 -5.710 1.00 0.00 H new ATOM 0 HA MET A 19 13.919 1.336 -8.279 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.854 -0.600 -7.234 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.680 -0.044 -8.887 1.00 0.00 H new ATOM 0 HG2 MET A 19 14.314 -0.640 -8.978 1.00 0.00 H new ATOM 0 HG3 MET A 19 13.873 -1.713 -7.664 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.056 -4.700 -9.567 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.617 -3.852 -9.459 1.00 0.00 H new ATOM 0 HE3 MET A 19 13.527 -3.892 -8.053 1.00 0.00 H new ATOM 249 N GLY A 20 11.533 2.891 -6.918 1.00 0.00 N ATOM 250 CA GLY A 20 10.576 3.976 -7.047 1.00 0.00 C ATOM 251 C GLY A 20 9.186 3.539 -6.582 1.00 0.00 C ATOM 252 O GLY A 20 8.314 4.375 -6.350 1.00 0.00 O ATOM 0 H GLY A 20 11.784 2.656 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.908 4.831 -6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.530 4.303 -8.086 1.00 0.00 H new ATOM 256 N PHE A 21 9.022 2.230 -6.460 1.00 0.00 N ATOM 257 CA PHE A 21 7.752 1.672 -6.027 1.00 0.00 C ATOM 258 C PHE A 21 7.446 2.065 -4.580 1.00 0.00 C ATOM 259 O PHE A 21 8.359 2.288 -3.787 1.00 0.00 O ATOM 260 CB PHE A 21 7.880 0.150 -6.113 1.00 0.00 C ATOM 261 CG PHE A 21 7.800 -0.401 -7.538 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.667 -0.231 -8.271 1.00 0.00 C ATOM 263 CD2 PHE A 21 8.862 -1.061 -8.072 1.00 0.00 C ATOM 264 CE1 PHE A 21 6.593 -0.742 -9.593 1.00 0.00 C ATOM 265 CE2 PHE A 21 8.788 -1.572 -9.395 1.00 0.00 C ATOM 266 CZ PHE A 21 7.655 -1.402 -10.128 1.00 0.00 C ATOM 0 H PHE A 21 9.747 1.540 -6.653 1.00 0.00 H new ATOM 0 HA PHE A 21 6.946 2.049 -6.656 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.830 -0.150 -5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.092 -0.305 -5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.823 0.293 -7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.762 -1.197 -7.490 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.693 -0.607 -10.174 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.632 -2.096 -9.819 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.599 -1.791 -11.134 1.00 0.00 H new ATOM 276 N PRO A 22 6.123 2.140 -4.273 1.00 0.00 N ATOM 277 CA PRO A 22 5.685 2.502 -2.935 1.00 0.00 C ATOM 278 C PRO A 22 5.881 1.339 -1.960 1.00 0.00 C ATOM 279 O PRO A 22 5.701 0.179 -2.328 1.00 0.00 O ATOM 280 CB PRO A 22 4.227 2.904 -3.094 1.00 0.00 C ATOM 281 CG PRO A 22 3.774 2.312 -4.419 1.00 0.00 C ATOM 282 CD PRO A 22 5.014 1.882 -5.186 1.00 0.00 C ATOM 0 HA PRO A 22 6.266 3.320 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.625 2.523 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.118 3.989 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.115 1.460 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.207 3.046 -4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.964 0.828 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.123 2.448 -6.111 1.00 0.00 H new ATOM 290 N ARG A 23 6.249 1.690 -0.737 1.00 0.00 N ATOM 291 CA ARG A 23 6.471 0.691 0.294 1.00 0.00 C ATOM 292 C ARG A 23 5.343 -0.343 0.284 1.00 0.00 C ATOM 293 O ARG A 23 5.583 -1.527 0.056 1.00 0.00 O ATOM 294 CB ARG A 23 6.551 1.336 1.679 1.00 0.00 C ATOM 295 CG ARG A 23 7.151 0.367 2.701 1.00 0.00 C ATOM 296 CD ARG A 23 7.900 1.124 3.799 1.00 0.00 C ATOM 297 NE ARG A 23 8.833 0.212 4.497 1.00 0.00 N ATOM 298 CZ ARG A 23 9.545 0.550 5.581 1.00 0.00 C ATOM 299 NH1 ARG A 23 9.434 1.781 6.098 1.00 0.00 N ATOM 300 NH2 ARG A 23 10.367 -0.344 6.148 1.00 0.00 N ATOM 0 H ARG A 23 6.399 2.653 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 23 7.420 0.200 0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.159 2.240 1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.555 1.639 2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.359 -0.235 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.832 -0.321 2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.451 1.959 3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.190 1.546 4.511 1.00 0.00 H new ATOM 0 HE ARG A 23 8.941 -0.734 4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.808 2.461 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.976 2.038 6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.451 -1.281 5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.909 -0.087 6.973 1.00 0.00 H new ATOM 314 N GLY A 24 4.136 0.144 0.534 1.00 0.00 N ATOM 315 CA GLY A 24 2.970 -0.722 0.557 1.00 0.00 C ATOM 316 C GLY A 24 3.061 -1.794 -0.531 1.00 0.00 C ATOM 317 O GLY A 24 3.204 -2.978 -0.231 1.00 0.00 O ATOM 0 H GLY A 24 3.941 1.127 0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.885 -1.197 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.068 -0.127 0.412 1.00 0.00 H new ATOM 321 N ARG A 25 2.975 -1.339 -1.773 1.00 0.00 N ATOM 322 CA ARG A 25 3.047 -2.244 -2.908 1.00 0.00 C ATOM 323 C ARG A 25 4.203 -3.229 -2.729 1.00 0.00 C ATOM 324 O ARG A 25 3.985 -4.433 -2.605 1.00 0.00 O ATOM 325 CB ARG A 25 3.239 -1.473 -4.215 1.00 0.00 C ATOM 326 CG ARG A 25 1.936 -1.416 -5.015 1.00 0.00 C ATOM 327 CD ARG A 25 2.122 -0.624 -6.311 1.00 0.00 C ATOM 328 NE ARG A 25 1.112 0.454 -6.395 1.00 0.00 N ATOM 329 CZ ARG A 25 0.710 1.019 -7.541 1.00 0.00 C ATOM 330 NH1 ARG A 25 1.229 0.612 -8.707 1.00 0.00 N ATOM 331 NH2 ARG A 25 -0.212 1.992 -7.521 1.00 0.00 N ATOM 0 H ARG A 25 2.856 -0.356 -2.018 1.00 0.00 H new ATOM 0 HA ARG A 25 2.105 -2.790 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.581 -0.461 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.016 -1.950 -4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.603 -2.428 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.155 -0.954 -4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.125 -0.198 -6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.029 -1.289 -7.170 1.00 0.00 H new ATOM 0 HE ARG A 25 0.696 0.788 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.930 -0.128 -8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.923 1.042 -9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.607 2.302 -6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.518 2.422 -8.394 1.00 0.00 H new ATOM 345 N ALA A 26 5.410 -2.681 -2.723 1.00 0.00 N ATOM 346 CA ALA A 26 6.601 -3.497 -2.561 1.00 0.00 C ATOM 347 C ALA A 26 6.334 -4.582 -1.517 1.00 0.00 C ATOM 348 O ALA A 26 6.688 -5.743 -1.717 1.00 0.00 O ATOM 349 CB ALA A 26 7.785 -2.603 -2.184 1.00 0.00 C ATOM 0 H ALA A 26 5.588 -1.682 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 26 6.854 -3.996 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.679 -3.215 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.952 -1.869 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.568 -2.087 -1.248 1.00 0.00 H new ATOM 355 N GLU A 27 5.711 -4.166 -0.424 1.00 0.00 N ATOM 356 CA GLU A 27 5.392 -5.088 0.653 1.00 0.00 C ATOM 357 C GLU A 27 4.335 -6.095 0.193 1.00 0.00 C ATOM 358 O GLU A 27 4.478 -7.296 0.418 1.00 0.00 O ATOM 359 CB GLU A 27 4.925 -4.335 1.900 1.00 0.00 C ATOM 360 CG GLU A 27 6.077 -3.547 2.527 1.00 0.00 C ATOM 361 CD GLU A 27 6.337 -4.004 3.964 1.00 0.00 C ATOM 362 OE1 GLU A 27 5.348 -4.067 4.726 1.00 0.00 O ATOM 363 OE2 GLU A 27 7.517 -4.281 4.267 1.00 0.00 O ATOM 0 H GLU A 27 5.419 -3.203 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 27 6.297 -5.635 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.115 -3.655 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.524 -5.041 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.980 -3.680 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.842 -2.483 2.517 1.00 0.00 H new ATOM 370 N LYS A 28 3.298 -5.568 -0.442 1.00 0.00 N ATOM 371 CA LYS A 28 2.218 -6.406 -0.934 1.00 0.00 C ATOM 372 C LYS A 28 2.792 -7.476 -1.865 1.00 0.00 C ATOM 373 O LYS A 28 2.702 -8.669 -1.575 1.00 0.00 O ATOM 374 CB LYS A 28 1.128 -5.549 -1.582 1.00 0.00 C ATOM 375 CG LYS A 28 0.484 -4.615 -0.556 1.00 0.00 C ATOM 376 CD LYS A 28 -0.849 -4.070 -1.072 1.00 0.00 C ATOM 377 CE LYS A 28 -1.975 -5.083 -0.859 1.00 0.00 C ATOM 378 NZ LYS A 28 -3.215 -4.629 -1.527 1.00 0.00 N ATOM 0 H LYS A 28 3.183 -4.572 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 28 1.734 -6.927 -0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.556 -4.962 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.366 -6.193 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.324 -5.151 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.159 -3.788 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.090 -3.140 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.763 -3.834 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.677 -6.055 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.157 -5.214 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.969 -5.329 -1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.507 -3.712 -1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.042 -4.527 -2.547 1.00 0.00 H new ATOM 392 N ALA A 29 3.371 -7.012 -2.963 1.00 0.00 N ATOM 393 CA ALA A 29 3.960 -7.915 -3.937 1.00 0.00 C ATOM 394 C ALA A 29 4.774 -8.985 -3.207 1.00 0.00 C ATOM 395 O ALA A 29 4.476 -10.174 -3.308 1.00 0.00 O ATOM 396 CB ALA A 29 4.805 -7.114 -4.929 1.00 0.00 C ATOM 0 H ALA A 29 3.445 -6.023 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 29 3.184 -8.425 -4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.247 -7.791 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.174 -6.388 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.597 -6.591 -4.393 1.00 0.00 H new ATOM 402 N LEU A 30 5.788 -8.524 -2.489 1.00 0.00 N ATOM 403 CA LEU A 30 6.648 -9.427 -1.742 1.00 0.00 C ATOM 404 C LEU A 30 5.784 -10.365 -0.897 1.00 0.00 C ATOM 405 O LEU A 30 5.774 -11.574 -1.120 1.00 0.00 O ATOM 406 CB LEU A 30 7.676 -8.638 -0.929 1.00 0.00 C ATOM 407 CG LEU A 30 8.973 -8.278 -1.657 1.00 0.00 C ATOM 408 CD1 LEU A 30 9.780 -9.533 -1.992 1.00 0.00 C ATOM 409 CD2 LEU A 30 8.688 -7.430 -2.898 1.00 0.00 C ATOM 0 H LEU A 30 6.033 -7.537 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 30 7.226 -10.052 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.208 -7.716 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.930 -9.217 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 30 9.584 -7.672 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.697 -9.249 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.031 -10.061 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.188 -10.185 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.627 -7.188 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.048 -7.988 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.187 -6.509 -2.602 1.00 0.00 H new ATOM 421 N ALA A 31 5.080 -9.771 0.056 1.00 0.00 N ATOM 422 CA ALA A 31 4.215 -10.538 0.936 1.00 0.00 C ATOM 423 C ALA A 31 3.415 -11.545 0.106 1.00 0.00 C ATOM 424 O ALA A 31 3.554 -12.754 0.288 1.00 0.00 O ATOM 425 CB ALA A 31 3.314 -9.586 1.724 1.00 0.00 C ATOM 0 H ALA A 31 5.091 -8.767 0.238 1.00 0.00 H new ATOM 0 HA ALA A 31 4.805 -11.101 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.665 -10.162 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.930 -8.911 2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.704 -9.006 1.032 1.00 0.00 H new ATOM 431 N LEU A 32 2.595 -11.010 -0.786 1.00 0.00 N ATOM 432 CA LEU A 32 1.773 -11.847 -1.644 1.00 0.00 C ATOM 433 C LEU A 32 2.626 -12.985 -2.207 1.00 0.00 C ATOM 434 O LEU A 32 2.188 -14.134 -2.243 1.00 0.00 O ATOM 435 CB LEU A 32 1.088 -11.001 -2.719 1.00 0.00 C ATOM 436 CG LEU A 32 -0.173 -10.254 -2.283 1.00 0.00 C ATOM 437 CD1 LEU A 32 -0.122 -8.789 -2.721 1.00 0.00 C ATOM 438 CD2 LEU A 32 -1.432 -10.960 -2.790 1.00 0.00 C ATOM 0 H LEU A 32 2.482 -10.007 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 32 0.967 -12.306 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.807 -10.272 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.830 -11.651 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.215 -10.263 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.031 -8.281 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.744 -8.304 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.043 -8.736 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.314 -10.408 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.411 -11.004 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.469 -11.972 -2.387 1.00 0.00 H new ATOM 450 N THR A 33 3.828 -12.627 -2.632 1.00 0.00 N ATOM 451 CA THR A 33 4.746 -13.604 -3.192 1.00 0.00 C ATOM 452 C THR A 33 5.615 -14.212 -2.089 1.00 0.00 C ATOM 453 O THR A 33 6.782 -14.529 -2.316 1.00 0.00 O ATOM 454 CB THR A 33 5.556 -12.917 -4.293 1.00 0.00 C ATOM 455 OG1 THR A 33 6.363 -11.974 -3.594 1.00 0.00 O ATOM 456 CG2 THR A 33 4.684 -12.055 -5.208 1.00 0.00 C ATOM 0 H THR A 33 4.188 -11.673 -2.600 1.00 0.00 H new ATOM 0 HA THR A 33 4.208 -14.440 -3.638 1.00 0.00 H new ATOM 0 HB THR A 33 6.073 -13.670 -4.887 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.981 -11.077 -3.697 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.307 -11.590 -5.972 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.930 -12.680 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.193 -11.280 -4.619 1.00 0.00 H new ATOM 464 N GLY A 34 5.013 -14.358 -0.918 1.00 0.00 N ATOM 465 CA GLY A 34 5.717 -14.922 0.221 1.00 0.00 C ATOM 466 C GLY A 34 7.187 -14.499 0.221 1.00 0.00 C ATOM 467 O GLY A 34 8.070 -15.305 0.511 1.00 0.00 O ATOM 0 H GLY A 34 4.045 -14.095 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.241 -14.595 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.648 -16.009 0.194 1.00 0.00 H new ATOM 471 N ASN A 35 7.406 -13.234 -0.106 1.00 0.00 N ATOM 472 CA ASN A 35 8.754 -12.693 -0.147 1.00 0.00 C ATOM 473 C ASN A 35 9.674 -13.682 -0.865 1.00 0.00 C ATOM 474 O ASN A 35 10.583 -14.243 -0.256 1.00 0.00 O ATOM 475 CB ASN A 35 9.303 -12.475 1.264 1.00 0.00 C ATOM 476 CG ASN A 35 8.952 -11.078 1.779 1.00 0.00 C ATOM 477 OD1 ASN A 35 9.459 -10.071 1.313 1.00 0.00 O ATOM 478 ND2 ASN A 35 8.059 -11.073 2.764 1.00 0.00 N ATOM 0 H ASN A 35 6.672 -12.567 -0.345 1.00 0.00 H new ATOM 0 HA ASN A 35 8.718 -11.738 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.894 -13.228 1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.385 -12.604 1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.759 -10.189 3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.674 -11.953 3.108 1.00 0.00 H new ATOM 485 N GLN A 36 9.405 -13.866 -2.150 1.00 0.00 N ATOM 486 CA GLN A 36 10.198 -14.778 -2.957 1.00 0.00 C ATOM 487 C GLN A 36 11.444 -14.069 -3.489 1.00 0.00 C ATOM 488 O GLN A 36 12.546 -14.613 -3.428 1.00 0.00 O ATOM 489 CB GLN A 36 9.367 -15.360 -4.102 1.00 0.00 C ATOM 490 CG GLN A 36 8.484 -16.509 -3.611 1.00 0.00 C ATOM 491 CD GLN A 36 8.694 -17.764 -4.461 1.00 0.00 C ATOM 492 OE1 GLN A 36 7.843 -18.171 -5.233 1.00 0.00 O ATOM 493 NE2 GLN A 36 9.873 -18.352 -4.275 1.00 0.00 N ATOM 0 H GLN A 36 8.649 -13.399 -2.652 1.00 0.00 H new ATOM 0 HA GLN A 36 10.518 -15.607 -2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.744 -14.579 -4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.029 -15.717 -4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.714 -16.729 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.437 -16.210 -3.650 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.541 -17.958 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.109 -19.197 -4.795 1.00 0.00 H new ATOM 502 N GLY A 37 11.229 -12.865 -3.999 1.00 0.00 N ATOM 503 CA GLY A 37 12.322 -12.076 -4.542 1.00 0.00 C ATOM 504 C GLY A 37 11.798 -10.811 -5.227 1.00 0.00 C ATOM 505 O GLY A 37 10.642 -10.434 -5.041 1.00 0.00 O ATOM 0 H GLY A 37 10.314 -12.417 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.010 -11.802 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.887 -12.674 -5.257 1.00 0.00 H new ATOM 509 N ILE A 38 12.674 -10.191 -6.004 1.00 0.00 N ATOM 510 CA ILE A 38 12.314 -8.978 -6.717 1.00 0.00 C ATOM 511 C ILE A 38 11.415 -9.335 -7.902 1.00 0.00 C ATOM 512 O ILE A 38 10.328 -8.779 -8.051 1.00 0.00 O ATOM 513 CB ILE A 38 13.569 -8.195 -7.110 1.00 0.00 C ATOM 514 CG1 ILE A 38 14.375 -7.794 -5.872 1.00 0.00 C ATOM 515 CG2 ILE A 38 13.212 -6.987 -7.978 1.00 0.00 C ATOM 516 CD1 ILE A 38 13.667 -6.685 -5.092 1.00 0.00 C ATOM 0 H ILE A 38 13.632 -10.506 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 38 11.741 -8.313 -6.071 1.00 0.00 H new ATOM 0 HB ILE A 38 14.204 -8.846 -7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 38 14.516 -8.663 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.366 -7.456 -6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.122 -6.448 -8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.713 -7.326 -8.886 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.546 -6.325 -7.424 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.261 -6.419 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.549 -5.809 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 38 12.686 -7.035 -4.771 1.00 0.00 H new ATOM 528 N GLU A 39 11.903 -10.260 -8.715 1.00 0.00 N ATOM 529 CA GLU A 39 11.158 -10.698 -9.883 1.00 0.00 C ATOM 530 C GLU A 39 9.747 -11.132 -9.481 1.00 0.00 C ATOM 531 O GLU A 39 8.767 -10.481 -9.839 1.00 0.00 O ATOM 532 CB GLU A 39 11.892 -11.826 -10.611 1.00 0.00 C ATOM 533 CG GLU A 39 13.054 -11.278 -11.441 1.00 0.00 C ATOM 534 CD GLU A 39 13.856 -12.414 -12.079 1.00 0.00 C ATOM 535 OE1 GLU A 39 13.379 -12.936 -13.110 1.00 0.00 O ATOM 536 OE2 GLU A 39 14.928 -12.735 -11.522 1.00 0.00 O ATOM 0 H GLU A 39 12.805 -10.718 -8.588 1.00 0.00 H new ATOM 0 HA GLU A 39 11.076 -9.858 -10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.267 -12.548 -9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.196 -12.358 -11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.670 -10.618 -12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.707 -10.678 -10.807 1.00 0.00 H new ATOM 543 N ALA A 40 9.689 -12.230 -8.741 1.00 0.00 N ATOM 544 CA ALA A 40 8.414 -12.759 -8.286 1.00 0.00 C ATOM 545 C ALA A 40 7.504 -11.600 -7.875 1.00 0.00 C ATOM 546 O ALA A 40 6.330 -11.569 -8.242 1.00 0.00 O ATOM 547 CB ALA A 40 8.651 -13.748 -7.143 1.00 0.00 C ATOM 0 H ALA A 40 10.504 -12.767 -8.445 1.00 0.00 H new ATOM 0 HA ALA A 40 7.915 -13.302 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.695 -14.145 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.279 -14.567 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.148 -13.238 -6.318 1.00 0.00 H new ATOM 553 N ALA A 41 8.079 -10.676 -7.120 1.00 0.00 N ATOM 554 CA ALA A 41 7.334 -9.518 -6.656 1.00 0.00 C ATOM 555 C ALA A 41 6.819 -8.732 -7.863 1.00 0.00 C ATOM 556 O ALA A 41 5.610 -8.611 -8.059 1.00 0.00 O ATOM 557 CB ALA A 41 8.223 -8.671 -5.744 1.00 0.00 C ATOM 0 H ALA A 41 9.053 -10.706 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 41 6.468 -9.827 -6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.664 -7.802 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.538 -9.267 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.101 -8.339 -6.298 1.00 0.00 H new ATOM 563 N MET A 42 7.761 -8.217 -8.639 1.00 0.00 N ATOM 564 CA MET A 42 7.417 -7.445 -9.821 1.00 0.00 C ATOM 565 C MET A 42 6.173 -8.016 -10.506 1.00 0.00 C ATOM 566 O MET A 42 5.269 -7.270 -10.881 1.00 0.00 O ATOM 567 CB MET A 42 8.592 -7.461 -10.801 1.00 0.00 C ATOM 568 CG MET A 42 9.426 -6.184 -10.677 1.00 0.00 C ATOM 569 SD MET A 42 9.727 -5.492 -12.295 1.00 0.00 S ATOM 570 CE MET A 42 11.510 -5.411 -12.269 1.00 0.00 C ATOM 0 H MET A 42 8.762 -8.319 -8.472 1.00 0.00 H new ATOM 0 HA MET A 42 7.202 -6.421 -9.514 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.220 -8.330 -10.607 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.219 -7.558 -11.820 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.904 -5.458 -10.053 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.373 -6.405 -10.185 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.869 -4.998 -13.212 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.833 -4.773 -11.447 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.918 -6.413 -12.133 1.00 0.00 H new ATOM 580 N ASP A 43 6.168 -9.333 -10.649 1.00 0.00 N ATOM 581 CA ASP A 43 5.050 -10.012 -11.283 1.00 0.00 C ATOM 582 C ASP A 43 3.738 -9.452 -10.729 1.00 0.00 C ATOM 583 O ASP A 43 2.912 -8.939 -11.482 1.00 0.00 O ATOM 584 CB ASP A 43 5.082 -11.514 -10.992 1.00 0.00 C ATOM 585 CG ASP A 43 4.967 -12.413 -12.225 1.00 0.00 C ATOM 586 OD1 ASP A 43 5.486 -11.996 -13.282 1.00 0.00 O ATOM 587 OD2 ASP A 43 4.363 -13.498 -12.081 1.00 0.00 O ATOM 0 H ASP A 43 6.920 -9.948 -10.337 1.00 0.00 H new ATOM 0 HA ASP A 43 5.123 -9.850 -12.358 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.012 -11.749 -10.475 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.268 -11.754 -10.308 1.00 0.00 H new ATOM 592 N TRP A 44 3.588 -9.569 -9.418 1.00 0.00 N ATOM 593 CA TRP A 44 2.391 -9.080 -8.755 1.00 0.00 C ATOM 594 C TRP A 44 2.166 -7.631 -9.193 1.00 0.00 C ATOM 595 O TRP A 44 1.163 -7.322 -9.834 1.00 0.00 O ATOM 596 CB TRP A 44 2.503 -9.235 -7.237 1.00 0.00 C ATOM 597 CG TRP A 44 1.278 -8.735 -6.469 1.00 0.00 C ATOM 598 CD1 TRP A 44 0.139 -9.393 -6.215 1.00 0.00 C ATOM 599 CD2 TRP A 44 1.116 -7.437 -5.860 1.00 0.00 C ATOM 600 NE1 TRP A 44 -0.743 -8.616 -5.491 1.00 0.00 N ATOM 601 CE2 TRP A 44 -0.129 -7.389 -5.268 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.993 -6.339 -5.811 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -0.611 -6.266 -4.584 1.00 0.00 C ATOM 604 CZ3 TRP A 44 1.497 -5.224 -5.125 1.00 0.00 C ATOM 605 CH2 TRP A 44 0.245 -5.160 -4.523 1.00 0.00 C ATOM 0 H TRP A 44 4.276 -9.995 -8.797 1.00 0.00 H new ATOM 0 HA TRP A 44 1.522 -9.670 -9.044 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.663 -10.287 -7.000 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.383 -8.693 -6.891 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.064 -10.404 -6.536 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.674 -8.891 -5.177 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.972 -6.355 -6.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.590 -6.254 -4.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.131 -4.352 -5.059 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.065 -4.261 -4.011 1.00 0.00 H new ATOM 616 N LEU A 45 3.116 -6.782 -8.829 1.00 0.00 N ATOM 617 CA LEU A 45 3.034 -5.374 -9.177 1.00 0.00 C ATOM 618 C LEU A 45 2.523 -5.236 -10.612 1.00 0.00 C ATOM 619 O LEU A 45 1.483 -4.623 -10.849 1.00 0.00 O ATOM 620 CB LEU A 45 4.377 -4.683 -8.933 1.00 0.00 C ATOM 621 CG LEU A 45 4.910 -4.738 -7.500 1.00 0.00 C ATOM 622 CD1 LEU A 45 6.429 -4.557 -7.472 1.00 0.00 C ATOM 623 CD2 LEU A 45 4.195 -3.718 -6.610 1.00 0.00 C ATOM 0 H LEU A 45 3.946 -7.042 -8.297 1.00 0.00 H new ATOM 0 HA LEU A 45 2.317 -4.864 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.119 -5.132 -9.593 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.283 -3.637 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 45 4.696 -5.727 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.782 -4.600 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.901 -5.351 -8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.688 -3.590 -7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.592 -3.778 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.356 -2.715 -7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.127 -3.935 -6.594 1.00 0.00 H new ATOM 635 N MET A 46 3.278 -5.816 -11.534 1.00 0.00 N ATOM 636 CA MET A 46 2.915 -5.766 -12.940 1.00 0.00 C ATOM 637 C MET A 46 1.475 -6.238 -13.151 1.00 0.00 C ATOM 638 O MET A 46 0.691 -5.571 -13.824 1.00 0.00 O ATOM 639 CB MET A 46 3.867 -6.652 -13.745 1.00 0.00 C ATOM 640 CG MET A 46 5.235 -5.985 -13.903 1.00 0.00 C ATOM 641 SD MET A 46 5.110 -4.589 -15.009 1.00 0.00 S ATOM 642 CE MET A 46 5.972 -3.356 -14.049 1.00 0.00 C ATOM 0 H MET A 46 4.140 -6.323 -11.334 1.00 0.00 H new ATOM 0 HA MET A 46 2.992 -4.733 -13.280 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.983 -7.614 -13.246 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.440 -6.852 -14.728 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.603 -5.657 -12.931 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.956 -6.704 -14.292 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.987 -2.414 -14.597 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.461 -3.214 -13.097 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.995 -3.686 -13.867 1.00 0.00 H new ATOM 652 N GLU A 47 1.171 -7.386 -12.563 1.00 0.00 N ATOM 653 CA GLU A 47 -0.161 -7.956 -12.679 1.00 0.00 C ATOM 654 C GLU A 47 -1.181 -7.070 -11.961 1.00 0.00 C ATOM 655 O GLU A 47 -2.386 -7.214 -12.165 1.00 0.00 O ATOM 656 CB GLU A 47 -0.195 -9.385 -12.133 1.00 0.00 C ATOM 657 CG GLU A 47 -1.000 -10.304 -13.054 1.00 0.00 C ATOM 658 CD GLU A 47 -2.294 -10.761 -12.378 1.00 0.00 C ATOM 659 OE1 GLU A 47 -3.291 -10.016 -12.501 1.00 0.00 O ATOM 660 OE2 GLU A 47 -2.258 -11.843 -11.754 1.00 0.00 O ATOM 0 H GLU A 47 1.824 -7.937 -12.005 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.426 -8.000 -13.735 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.822 -9.764 -12.033 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.635 -9.387 -11.136 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.235 -9.781 -13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.399 -11.173 -13.322 1.00 0.00 H new ATOM 667 N HIS A 48 -0.662 -6.173 -11.136 1.00 0.00 N ATOM 668 CA HIS A 48 -1.513 -5.264 -10.387 1.00 0.00 C ATOM 669 C HIS A 48 -1.372 -3.848 -10.950 1.00 0.00 C ATOM 670 O HIS A 48 -1.817 -2.883 -10.331 1.00 0.00 O ATOM 671 CB HIS A 48 -1.205 -5.340 -8.891 1.00 0.00 C ATOM 672 CG HIS A 48 -1.817 -6.535 -8.198 1.00 0.00 C ATOM 673 ND1 HIS A 48 -2.769 -6.416 -7.201 1.00 0.00 N ATOM 674 CD2 HIS A 48 -1.603 -7.871 -8.370 1.00 0.00 C ATOM 675 CE1 HIS A 48 -3.105 -7.633 -6.797 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.381 -8.533 -7.523 1.00 0.00 N ATOM 0 H HIS A 48 0.338 -6.056 -10.970 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.556 -5.561 -10.500 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.124 -5.368 -8.754 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.564 -4.430 -8.410 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.917 -8.315 -9.076 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.825 -7.870 -6.028 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.430 -9.548 -7.430 1.00 0.00 H new ATOM 684 N GLU A 49 -0.750 -3.769 -12.117 1.00 0.00 N ATOM 685 CA GLU A 49 -0.545 -2.487 -12.771 1.00 0.00 C ATOM 686 C GLU A 49 -1.865 -1.720 -12.861 1.00 0.00 C ATOM 687 O GLU A 49 -1.869 -0.495 -12.975 1.00 0.00 O ATOM 688 CB GLU A 49 0.078 -2.672 -14.156 1.00 0.00 C ATOM 689 CG GLU A 49 -0.965 -3.150 -15.167 1.00 0.00 C ATOM 690 CD GLU A 49 -1.176 -2.111 -16.270 1.00 0.00 C ATOM 691 OE1 GLU A 49 -1.921 -1.144 -16.004 1.00 0.00 O ATOM 692 OE2 GLU A 49 -0.588 -2.309 -17.356 1.00 0.00 O ATOM 0 H GLU A 49 -0.381 -4.572 -12.627 1.00 0.00 H new ATOM 0 HA GLU A 49 0.152 -1.902 -12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.511 -1.730 -14.493 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.892 -3.395 -14.099 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.643 -4.094 -15.608 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.909 -3.342 -14.658 1.00 0.00 H new ATOM 699 N ASP A 50 -2.955 -2.472 -12.806 1.00 0.00 N ATOM 700 CA ASP A 50 -4.279 -1.878 -12.881 1.00 0.00 C ATOM 701 C ASP A 50 -5.054 -2.210 -11.604 1.00 0.00 C ATOM 702 O ASP A 50 -6.284 -2.235 -11.610 1.00 0.00 O ATOM 703 CB ASP A 50 -5.065 -2.433 -14.070 1.00 0.00 C ATOM 704 CG ASP A 50 -6.423 -1.771 -14.312 1.00 0.00 C ATOM 705 OD1 ASP A 50 -6.488 -0.533 -14.150 1.00 0.00 O ATOM 706 OD2 ASP A 50 -7.366 -2.517 -14.655 1.00 0.00 O ATOM 0 H ASP A 50 -2.948 -3.487 -12.710 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.160 -0.801 -13.000 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.459 -2.324 -14.970 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.220 -3.501 -13.917 1.00 0.00 H new ATOM 711 N ASP A 51 -4.303 -2.457 -10.541 1.00 0.00 N ATOM 712 CA ASP A 51 -4.905 -2.786 -9.260 1.00 0.00 C ATOM 713 C ASP A 51 -6.111 -1.876 -9.019 1.00 0.00 C ATOM 714 O ASP A 51 -6.099 -0.708 -9.404 1.00 0.00 O ATOM 715 CB ASP A 51 -3.914 -2.572 -8.115 1.00 0.00 C ATOM 716 CG ASP A 51 -2.919 -1.429 -8.326 1.00 0.00 C ATOM 717 OD1 ASP A 51 -3.356 -0.387 -8.861 1.00 0.00 O ATOM 718 OD2 ASP A 51 -1.744 -1.623 -7.948 1.00 0.00 O ATOM 0 H ASP A 51 -3.283 -2.436 -10.540 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.204 -3.834 -9.287 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.475 -2.381 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.356 -3.495 -7.960 1.00 0.00 H new ATOM 723 N PRO A 52 -7.151 -2.461 -8.366 1.00 0.00 N ATOM 724 CA PRO A 52 -8.362 -1.716 -8.068 1.00 0.00 C ATOM 725 C PRO A 52 -8.137 -0.742 -6.910 1.00 0.00 C ATOM 726 O PRO A 52 -8.492 0.432 -7.002 1.00 0.00 O ATOM 727 CB PRO A 52 -9.409 -2.773 -7.760 1.00 0.00 C ATOM 728 CG PRO A 52 -8.638 -4.044 -7.442 1.00 0.00 C ATOM 729 CD PRO A 52 -7.201 -3.842 -7.895 1.00 0.00 C ATOM 0 HA PRO A 52 -8.683 -1.087 -8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.031 -2.472 -6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.075 -2.922 -8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.675 -4.256 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.083 -4.898 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.501 -4.007 -7.076 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.934 -4.541 -8.688 1.00 0.00 H new ATOM 737 N ASP A 53 -7.547 -1.266 -5.845 1.00 0.00 N ATOM 738 CA ASP A 53 -7.270 -0.458 -4.670 1.00 0.00 C ATOM 739 C ASP A 53 -6.021 -0.997 -3.969 1.00 0.00 C ATOM 740 O ASP A 53 -6.121 -1.654 -2.933 1.00 0.00 O ATOM 741 CB ASP A 53 -8.432 -0.515 -3.676 1.00 0.00 C ATOM 742 CG ASP A 53 -8.864 -1.924 -3.266 1.00 0.00 C ATOM 743 OD1 ASP A 53 -8.858 -2.801 -4.157 1.00 0.00 O ATOM 744 OD2 ASP A 53 -9.192 -2.093 -2.072 1.00 0.00 O ATOM 0 H ASP A 53 -7.253 -2.240 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.124 0.572 -4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.151 0.038 -2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.289 -0.001 -4.112 1.00 0.00 H new ATOM 749 N VAL A 54 -4.874 -0.700 -4.561 1.00 0.00 N ATOM 750 CA VAL A 54 -3.608 -1.146 -4.006 1.00 0.00 C ATOM 751 C VAL A 54 -3.260 -0.290 -2.786 1.00 0.00 C ATOM 752 O VAL A 54 -2.586 -0.756 -1.869 1.00 0.00 O ATOM 753 CB VAL A 54 -2.524 -1.116 -5.086 1.00 0.00 C ATOM 754 CG1 VAL A 54 -2.288 0.310 -5.587 1.00 0.00 C ATOM 755 CG2 VAL A 54 -1.224 -1.740 -4.575 1.00 0.00 C ATOM 0 H VAL A 54 -4.795 -0.156 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.683 -2.179 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.874 -1.713 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.513 0.303 -6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.212 0.705 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.970 0.940 -4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.470 -1.706 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.869 -1.183 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.405 -2.777 -4.291 1.00 0.00 H new ATOM 765 N ASP A 55 -3.735 0.946 -2.816 1.00 0.00 N ATOM 766 CA ASP A 55 -3.483 1.871 -1.725 1.00 0.00 C ATOM 767 C ASP A 55 -4.747 2.689 -1.453 1.00 0.00 C ATOM 768 O ASP A 55 -4.837 3.850 -1.851 1.00 0.00 O ATOM 769 CB ASP A 55 -2.357 2.845 -2.076 1.00 0.00 C ATOM 770 CG ASP A 55 -0.990 2.492 -1.487 1.00 0.00 C ATOM 771 OD1 ASP A 55 -0.956 1.568 -0.646 1.00 0.00 O ATOM 772 OD2 ASP A 55 -0.010 3.155 -1.890 1.00 0.00 O ATOM 0 H ASP A 55 -4.293 1.329 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.196 1.288 -0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.266 2.896 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.638 3.841 -1.732 1.00 0.00 H new ATOM 777 N GLU A 56 -5.693 2.052 -0.777 1.00 0.00 N ATOM 778 CA GLU A 56 -6.947 2.706 -0.448 1.00 0.00 C ATOM 779 C GLU A 56 -6.682 4.047 0.239 1.00 0.00 C ATOM 780 O GLU A 56 -5.667 4.214 0.913 1.00 0.00 O ATOM 781 CB GLU A 56 -7.822 1.806 0.426 1.00 0.00 C ATOM 782 CG GLU A 56 -7.325 1.795 1.873 1.00 0.00 C ATOM 783 CD GLU A 56 -8.105 2.796 2.728 1.00 0.00 C ATOM 784 OE1 GLU A 56 -9.269 2.477 3.055 1.00 0.00 O ATOM 785 OE2 GLU A 56 -7.520 3.856 3.036 1.00 0.00 O ATOM 0 H GLU A 56 -5.615 1.089 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.489 2.895 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.854 2.155 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.817 0.791 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.432 0.794 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.263 2.039 1.898 1.00 0.00 H new ATOM 792 N PRO A 57 -7.638 4.994 0.040 1.00 0.00 N ATOM 793 CA PRO A 57 -7.518 6.315 0.633 1.00 0.00 C ATOM 794 C PRO A 57 -7.823 6.273 2.132 1.00 0.00 C ATOM 795 O PRO A 57 -8.892 5.822 2.539 1.00 0.00 O ATOM 796 CB PRO A 57 -8.490 7.186 -0.146 1.00 0.00 C ATOM 797 CG PRO A 57 -9.451 6.228 -0.831 1.00 0.00 C ATOM 798 CD PRO A 57 -8.854 4.832 -0.751 1.00 0.00 C ATOM 0 HA PRO A 57 -6.506 6.714 0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -9.024 7.866 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.964 7.801 -0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.427 6.254 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.604 6.519 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.544 4.133 -0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.632 4.439 -1.743 1.00 0.00 H new ATOM 806 N LEU A 58 -6.863 6.750 2.912 1.00 0.00 N ATOM 807 CA LEU A 58 -7.015 6.773 4.356 1.00 0.00 C ATOM 808 C LEU A 58 -7.397 8.186 4.802 1.00 0.00 C ATOM 809 O LEU A 58 -6.582 9.104 4.735 1.00 0.00 O ATOM 810 CB LEU A 58 -5.755 6.233 5.036 1.00 0.00 C ATOM 811 CG LEU A 58 -4.637 7.248 5.280 1.00 0.00 C ATOM 812 CD1 LEU A 58 -4.829 7.965 6.618 1.00 0.00 C ATOM 813 CD2 LEU A 58 -3.262 6.585 5.178 1.00 0.00 C ATOM 0 H LEU A 58 -5.977 7.123 2.570 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.824 6.111 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.041 5.800 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.356 5.422 4.426 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.688 8.006 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.021 8.681 6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.784 8.491 6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.820 7.234 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.485 7.329 5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.184 5.793 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.136 6.160 4.182 1.00 0.00 H new ATOM 825 N SER A 59 -8.638 8.316 5.249 1.00 0.00 N ATOM 826 CA SER A 59 -9.138 9.601 5.706 1.00 0.00 C ATOM 827 C SER A 59 -9.124 9.654 7.235 1.00 0.00 C ATOM 828 O SER A 59 -9.903 8.965 7.891 1.00 0.00 O ATOM 829 CB SER A 59 -10.551 9.861 5.179 1.00 0.00 C ATOM 830 OG SER A 59 -10.536 10.524 3.917 1.00 0.00 O ATOM 0 H SER A 59 -9.312 7.552 5.304 1.00 0.00 H new ATOM 0 HA SER A 59 -8.484 10.381 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.083 8.914 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.101 10.466 5.900 1.00 0.00 H new ATOM 0 HG SER A 59 -11.456 10.670 3.613 1.00 0.00 H new ATOM 836 N GLY A 60 -8.230 10.480 7.758 1.00 0.00 N ATOM 837 CA GLY A 60 -8.104 10.632 9.198 1.00 0.00 C ATOM 838 C GLY A 60 -6.918 9.826 9.733 1.00 0.00 C ATOM 839 O GLY A 60 -6.529 8.820 9.142 1.00 0.00 O ATOM 0 H GLY A 60 -7.586 11.051 7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.974 11.685 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.022 10.301 9.684 1.00 0.00 H new ATOM 843 N PRO A 61 -6.362 10.312 10.875 1.00 0.00 N ATOM 844 CA PRO A 61 -5.228 9.649 11.496 1.00 0.00 C ATOM 845 C PRO A 61 -5.666 8.370 12.213 1.00 0.00 C ATOM 846 O PRO A 61 -5.157 7.288 11.926 1.00 0.00 O ATOM 847 CB PRO A 61 -4.634 10.684 12.438 1.00 0.00 C ATOM 848 CG PRO A 61 -5.723 11.722 12.657 1.00 0.00 C ATOM 849 CD PRO A 61 -6.795 11.502 11.602 1.00 0.00 C ATOM 0 HA PRO A 61 -4.485 9.318 10.770 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.334 10.227 13.381 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.742 11.139 12.007 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.146 11.626 13.657 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.312 12.729 12.580 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.774 11.353 12.057 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.880 12.362 10.938 1.00 0.00 H new ATOM 857 N SER A 62 -6.606 8.537 13.131 1.00 0.00 N ATOM 858 CA SER A 62 -7.119 7.410 13.891 1.00 0.00 C ATOM 859 C SER A 62 -8.398 7.813 14.627 1.00 0.00 C ATOM 860 O SER A 62 -8.534 8.955 15.063 1.00 0.00 O ATOM 861 CB SER A 62 -6.075 6.895 14.884 1.00 0.00 C ATOM 862 OG SER A 62 -5.887 7.793 15.975 1.00 0.00 O ATOM 0 H SER A 62 -7.026 9.436 13.366 1.00 0.00 H new ATOM 0 HA SER A 62 -7.348 6.604 13.194 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.386 5.922 15.265 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.126 6.747 14.368 1.00 0.00 H new ATOM 0 HG SER A 62 -5.215 7.428 16.587 1.00 0.00 H new ATOM 868 N SER A 63 -9.304 6.853 14.743 1.00 0.00 N ATOM 869 CA SER A 63 -10.567 7.094 15.419 1.00 0.00 C ATOM 870 C SER A 63 -11.192 8.395 14.912 1.00 0.00 C ATOM 871 O SER A 63 -10.932 9.466 15.459 1.00 0.00 O ATOM 872 CB SER A 63 -10.379 7.150 16.936 1.00 0.00 C ATOM 873 OG SER A 63 -11.502 7.731 17.592 1.00 0.00 O ATOM 0 H SER A 63 -9.188 5.907 14.380 1.00 0.00 H new ATOM 0 HA SER A 63 -11.238 6.265 15.195 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.217 6.142 17.319 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.484 7.727 17.169 1.00 0.00 H new ATOM 0 HG SER A 63 -11.344 7.747 18.559 1.00 0.00 H new ATOM 879 N GLY A 64 -12.004 8.260 13.874 1.00 0.00 N ATOM 880 CA GLY A 64 -12.667 9.413 13.288 1.00 0.00 C ATOM 881 C GLY A 64 -12.544 9.400 11.763 1.00 0.00 C ATOM 882 O GLY A 64 -13.381 8.819 11.074 1.00 0.00 O ATOM 0 H GLY A 64 -12.218 7.370 13.424 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.719 9.415 13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.229 10.329 13.684 1.00 0.00 H new TER 886 GLY A 64