USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 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 Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -3.3! C(o=-3.3!,f=-11!) USER MOD Single : A 13 TYR OH : rot -178:sc= -0.637 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -169:sc= 0 (180deg=-0.17) USER MOD Single : B 2 TYR OH : rot -153:sc= 0.0168 USER MOD Single : B 11 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.4!) USER MOD Single : B 13 TYR OH : rot 127:sc= 0.141 USER MOD Single : B 16 LYS NZ :NH3+ -167:sc= 0.00629 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 TYR OH : rot 180:sc= 0 USER MOD Single : C 11 GLN : amide:sc= -7.56! C(o=-7.6!,f=-15!) USER MOD Single : C 13 TYR OH : rot 180:sc= -0.0408 USER MOD Single : C 16 LYS NZ :NH3+ 176:sc= -0.291 (180deg=-0.304) USER MOD Single : C 24 SER OG : rot 180:sc= 0 USER MOD Single : C 25 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 126.842 -5.024 -11.733 1.00 0.00 N ATOM 11 CA TYR A 2 126.218 -4.234 -10.667 1.00 0.00 C ATOM 12 C TYR A 2 125.977 -5.088 -9.419 1.00 0.00 C ATOM 13 O TYR A 2 125.770 -6.297 -9.519 1.00 0.00 O ATOM 14 CB TYR A 2 124.900 -3.633 -11.146 1.00 0.00 C ATOM 15 CG TYR A 2 125.042 -2.365 -11.964 1.00 0.00 C ATOM 16 CD1 TYR A 2 125.995 -2.257 -12.969 1.00 0.00 C ATOM 17 CD2 TYR A 2 124.208 -1.279 -11.736 1.00 0.00 C ATOM 18 CE1 TYR A 2 126.114 -1.103 -13.720 1.00 0.00 C ATOM 19 CE2 TYR A 2 124.319 -0.123 -12.485 1.00 0.00 C ATOM 20 CZ TYR A 2 125.274 -0.040 -13.474 1.00 0.00 C ATOM 21 OH TYR A 2 125.387 1.110 -14.221 1.00 0.00 O ATOM 0 HA TYR A 2 126.903 -3.427 -10.407 1.00 0.00 H new ATOM 0 HB2 TYR A 2 124.373 -4.377 -11.743 1.00 0.00 H new ATOM 0 HB3 TYR A 2 124.276 -3.421 -10.278 1.00 0.00 H new ATOM 0 HD1 TYR A 2 126.654 -3.089 -13.167 1.00 0.00 H new ATOM 0 HD2 TYR A 2 123.459 -1.339 -10.960 1.00 0.00 H new ATOM 0 HE1 TYR A 2 126.862 -1.035 -14.496 1.00 0.00 H new ATOM 0 HE2 TYR A 2 123.660 0.711 -12.296 1.00 0.00 H new ATOM 0 HH TYR A 2 124.720 1.762 -13.921 1.00 0.00 H new ATOM 31 N ILE A 3 125.994 -4.453 -8.244 1.00 0.00 N ATOM 32 CA ILE A 3 125.765 -5.165 -6.981 1.00 0.00 C ATOM 33 C ILE A 3 124.314 -5.104 -6.551 1.00 0.00 C ATOM 34 O ILE A 3 123.581 -4.189 -6.924 1.00 0.00 O ATOM 35 CB ILE A 3 126.543 -4.582 -5.795 1.00 0.00 C ATOM 36 CG1 ILE A 3 126.557 -3.065 -5.832 1.00 0.00 C ATOM 37 CG2 ILE A 3 127.953 -5.110 -5.717 1.00 0.00 C ATOM 38 CD1 ILE A 3 127.243 -2.460 -4.634 1.00 0.00 C ATOM 0 H ILE A 3 126.163 -3.453 -8.139 1.00 0.00 H new ATOM 0 HA ILE A 3 126.095 -6.180 -7.202 1.00 0.00 H new ATOM 0 HB ILE A 3 126.017 -4.906 -4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 3 127.060 -2.732 -6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 3 125.532 -2.697 -5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 3 128.461 -4.666 -4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 3 127.930 -6.194 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 3 128.489 -4.852 -6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 3 127.223 -1.373 -4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 3 126.725 -2.767 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 3 128.277 -2.802 -4.596 1.00 0.00 H new ATOM 50 N PRO A 4 123.891 -6.058 -5.709 1.00 0.00 N ATOM 51 CA PRO A 4 122.552 -6.089 -5.182 1.00 0.00 C ATOM 52 C PRO A 4 122.448 -5.271 -3.896 1.00 0.00 C ATOM 53 O PRO A 4 123.404 -5.145 -3.140 1.00 0.00 O ATOM 54 CB PRO A 4 122.287 -7.576 -4.945 1.00 0.00 C ATOM 55 CG PRO A 4 123.645 -8.230 -4.895 1.00 0.00 C ATOM 56 CD PRO A 4 124.684 -7.162 -5.174 1.00 0.00 C ATOM 0 HA PRO A 4 121.817 -5.646 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 4 121.742 -7.733 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 4 121.679 -7.998 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 4 123.815 -8.683 -3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 4 123.711 -9.030 -5.633 1.00 0.00 H new ATOM 0 HD2 PRO A 4 125.218 -6.873 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 4 125.432 -7.505 -5.889 1.00 0.00 H new ATOM 64 N GLU A 5 121.276 -4.674 -3.713 1.00 0.00 N ATOM 65 CA GLU A 5 120.978 -3.796 -2.592 1.00 0.00 C ATOM 66 C GLU A 5 121.160 -4.463 -1.223 1.00 0.00 C ATOM 67 O GLU A 5 120.846 -5.639 -1.039 1.00 0.00 O ATOM 68 CB GLU A 5 119.540 -3.270 -2.735 1.00 0.00 C ATOM 69 CG GLU A 5 119.044 -2.443 -1.557 1.00 0.00 C ATOM 70 CD GLU A 5 118.591 -1.042 -1.959 1.00 0.00 C ATOM 71 OE1 GLU A 5 117.608 -0.933 -2.722 1.00 0.00 O ATOM 72 OE2 GLU A 5 119.226 -0.052 -1.510 1.00 0.00 O ATOM 0 H GLU A 5 120.491 -4.790 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 5 121.697 -2.977 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 5 119.478 -2.664 -3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 5 118.870 -4.118 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 5 118.214 -2.964 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 5 119.840 -2.363 -0.816 1.00 0.00 H new ATOM 79 N ALA A 6 121.655 -3.673 -0.266 1.00 0.00 N ATOM 80 CA ALA A 6 121.875 -4.130 1.110 1.00 0.00 C ATOM 81 C ALA A 6 120.600 -3.973 1.952 1.00 0.00 C ATOM 82 O ALA A 6 119.679 -3.258 1.564 1.00 0.00 O ATOM 83 CB ALA A 6 123.021 -3.343 1.745 1.00 0.00 C ATOM 0 H ALA A 6 121.915 -2.699 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 6 122.137 -5.188 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 6 123.178 -3.689 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 6 123.932 -3.496 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 6 122.772 -2.282 1.755 1.00 0.00 H new ATOM 89 N PRO A 7 120.532 -4.643 3.120 1.00 0.00 N ATOM 90 CA PRO A 7 119.366 -4.566 4.019 1.00 0.00 C ATOM 91 C PRO A 7 119.037 -3.133 4.443 1.00 0.00 C ATOM 92 O PRO A 7 119.922 -2.277 4.492 1.00 0.00 O ATOM 93 CB PRO A 7 119.798 -5.376 5.247 1.00 0.00 C ATOM 94 CG PRO A 7 120.908 -6.254 4.779 1.00 0.00 C ATOM 95 CD PRO A 7 121.587 -5.524 3.653 1.00 0.00 C ATOM 0 HA PRO A 7 118.467 -4.939 3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 7 120.130 -4.720 6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 7 118.970 -5.967 5.638 1.00 0.00 H new ATOM 0 HG2 PRO A 7 121.609 -6.456 5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 7 120.524 -7.217 4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 7 122.445 -4.952 4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 7 121.955 -6.213 2.893 1.00 0.00 H new ATOM 103 N ARG A 8 117.762 -2.878 4.759 1.00 0.00 N ATOM 104 CA ARG A 8 117.315 -1.549 5.188 1.00 0.00 C ATOM 105 C ARG A 8 116.892 -1.545 6.653 1.00 0.00 C ATOM 106 O ARG A 8 115.731 -1.301 6.987 1.00 0.00 O ATOM 107 CB ARG A 8 116.176 -1.068 4.317 1.00 0.00 C ATOM 108 CG ARG A 8 116.592 -0.024 3.300 1.00 0.00 C ATOM 109 CD ARG A 8 117.603 -0.576 2.309 1.00 0.00 C ATOM 110 NE ARG A 8 118.961 -0.584 2.851 1.00 0.00 N ATOM 111 CZ ARG A 8 120.055 -0.697 2.104 1.00 0.00 C ATOM 112 NH1 ARG A 8 119.952 -0.829 0.793 1.00 0.00 N ATOM 113 NH2 ARG A 8 121.254 -0.665 2.669 1.00 0.00 N ATOM 0 H ARG A 8 117.020 -3.577 4.725 1.00 0.00 H new ATOM 0 HA ARG A 8 118.159 -0.868 5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 8 115.744 -1.921 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 8 115.393 -0.653 4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 8 115.713 0.331 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 8 117.020 0.836 3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 8 117.319 -1.591 2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 8 117.581 0.023 1.398 1.00 0.00 H new ATOM 0 HE ARG A 8 119.076 -0.498 3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 8 119.032 -0.844 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 8 120.792 -0.916 0.222 1.00 0.00 H new ATOM 0 HH21 ARG A 8 121.339 -0.553 3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 8 122.092 -0.752 2.093 1.00 0.00 H new ATOM 127 N ASP A 9 117.851 -1.811 7.514 1.00 0.00 N ATOM 128 CA ASP A 9 117.624 -1.842 8.956 1.00 0.00 C ATOM 129 C ASP A 9 118.315 -0.674 9.656 1.00 0.00 C ATOM 130 O ASP A 9 118.461 -0.681 10.879 1.00 0.00 O ATOM 131 CB ASP A 9 118.154 -3.143 9.551 1.00 0.00 C ATOM 132 CG ASP A 9 119.627 -3.355 9.263 1.00 0.00 C ATOM 133 OD1 ASP A 9 120.136 -2.750 8.296 1.00 0.00 O ATOM 134 OD2 ASP A 9 120.272 -4.128 10.003 1.00 0.00 O ATOM 0 H ASP A 9 118.813 -2.013 7.241 1.00 0.00 H new ATOM 0 HA ASP A 9 116.548 -1.767 9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 9 117.995 -3.137 10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 9 117.584 -3.981 9.150 1.00 0.00 H new ATOM 139 N GLY A 10 118.738 0.327 8.891 1.00 0.00 N ATOM 140 CA GLY A 10 119.403 1.471 9.497 1.00 0.00 C ATOM 141 C GLY A 10 120.847 1.182 9.823 1.00 0.00 C ATOM 142 O GLY A 10 121.465 1.904 10.600 1.00 0.00 O ATOM 0 H GLY A 10 118.636 0.370 7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 10 119.349 2.322 8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 10 118.876 1.755 10.408 1.00 0.00 H new ATOM 146 N GLN A 11 121.387 0.116 9.244 1.00 0.00 N ATOM 147 CA GLN A 11 122.770 -0.251 9.487 1.00 0.00 C ATOM 148 C GLN A 11 123.581 0.003 8.232 1.00 0.00 C ATOM 149 O GLN A 11 123.059 -0.101 7.122 1.00 0.00 O ATOM 150 CB GLN A 11 122.871 -1.719 9.892 1.00 0.00 C ATOM 151 CG GLN A 11 123.256 -1.972 11.350 1.00 0.00 C ATOM 152 CD GLN A 11 124.283 -0.974 11.908 1.00 0.00 C ATOM 153 OE1 GLN A 11 125.487 -1.151 11.712 1.00 0.00 O ATOM 154 NE2 GLN A 11 123.840 0.078 12.611 1.00 0.00 N ATOM 0 H GLN A 11 120.888 -0.505 8.606 1.00 0.00 H new ATOM 0 HA GLN A 11 123.163 0.355 10.304 1.00 0.00 H new ATOM 0 HB2 GLN A 11 121.911 -2.198 9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 11 123.605 -2.206 9.250 1.00 0.00 H new ATOM 0 HG2 GLN A 11 122.356 -1.934 11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 11 123.660 -2.981 11.439 1.00 0.00 H new ATOM 0 HE21 GLN A 11 122.839 0.206 12.762 1.00 0.00 H new ATOM 0 HE22 GLN A 11 124.504 0.751 12.995 1.00 0.00 H new ATOM 163 N ALA A 12 124.848 0.356 8.400 1.00 0.00 N ATOM 164 CA ALA A 12 125.715 0.653 7.283 1.00 0.00 C ATOM 165 C ALA A 12 126.470 -0.565 6.808 1.00 0.00 C ATOM 166 O ALA A 12 127.001 -1.337 7.603 1.00 0.00 O ATOM 167 CB ALA A 12 126.670 1.778 7.657 1.00 0.00 C ATOM 0 H ALA A 12 125.296 0.442 9.312 1.00 0.00 H new ATOM 0 HA ALA A 12 125.091 0.976 6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 12 127.322 1.998 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 12 126.099 2.669 7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 12 127.275 1.473 8.511 1.00 0.00 H new ATOM 173 N TYR A 13 126.498 -0.726 5.491 1.00 0.00 N ATOM 174 CA TYR A 13 127.177 -1.843 4.867 1.00 0.00 C ATOM 175 C TYR A 13 128.305 -1.391 3.985 1.00 0.00 C ATOM 176 O TYR A 13 128.270 -0.348 3.333 1.00 0.00 O ATOM 177 CB TYR A 13 126.237 -2.685 4.030 1.00 0.00 C ATOM 178 CG TYR A 13 125.312 -3.479 4.881 1.00 0.00 C ATOM 179 CD1 TYR A 13 125.773 -4.577 5.549 1.00 0.00 C ATOM 180 CD2 TYR A 13 124.006 -3.107 5.045 1.00 0.00 C ATOM 181 CE1 TYR A 13 124.957 -5.301 6.369 1.00 0.00 C ATOM 182 CE2 TYR A 13 123.163 -3.820 5.870 1.00 0.00 C ATOM 183 CZ TYR A 13 123.648 -4.922 6.536 1.00 0.00 C ATOM 184 OH TYR A 13 122.823 -5.653 7.357 1.00 0.00 O ATOM 0 H TYR A 13 126.052 -0.087 4.833 1.00 0.00 H new ATOM 0 HA TYR A 13 127.569 -2.441 5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 13 125.660 -2.039 3.368 1.00 0.00 H new ATOM 0 HB3 TYR A 13 126.816 -3.356 3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 13 126.803 -4.878 5.426 1.00 0.00 H new ATOM 0 HD2 TYR A 13 123.630 -2.241 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 13 125.340 -6.169 6.885 1.00 0.00 H new ATOM 0 HE2 TYR A 13 122.134 -3.517 5.992 1.00 0.00 H new ATOM 0 HH TYR A 13 121.922 -5.269 7.341 1.00 0.00 H new ATOM 194 N VAL A 14 129.270 -2.246 3.955 1.00 0.00 N ATOM 195 CA VAL A 14 130.454 -2.103 3.169 1.00 0.00 C ATOM 196 C VAL A 14 130.297 -3.098 2.053 1.00 0.00 C ATOM 197 O VAL A 14 129.578 -4.084 2.225 1.00 0.00 O ATOM 198 CB VAL A 14 131.669 -2.470 4.042 1.00 0.00 C ATOM 199 CG1 VAL A 14 132.816 -1.481 3.931 1.00 0.00 C ATOM 200 CG2 VAL A 14 131.237 -2.620 5.499 1.00 0.00 C ATOM 0 H VAL A 14 129.257 -3.106 4.503 1.00 0.00 H new ATOM 0 HA VAL A 14 130.600 -1.092 2.790 1.00 0.00 H new ATOM 0 HB VAL A 14 132.049 -3.420 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 14 133.637 -1.802 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 14 133.159 -1.436 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 14 132.477 -0.494 4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 14 132.102 -2.880 6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 14 130.813 -1.680 5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 14 130.488 -3.408 5.577 1.00 0.00 H new ATOM 210 N ARG A 15 130.920 -2.884 0.917 1.00 0.00 N ATOM 211 CA ARG A 15 130.738 -3.838 -0.145 1.00 0.00 C ATOM 212 C ARG A 15 131.998 -4.683 -0.248 1.00 0.00 C ATOM 213 O ARG A 15 133.056 -4.230 -0.687 1.00 0.00 O ATOM 214 CB ARG A 15 130.383 -3.107 -1.454 1.00 0.00 C ATOM 215 CG ARG A 15 129.297 -3.739 -2.344 1.00 0.00 C ATOM 216 CD ARG A 15 128.837 -5.121 -1.908 1.00 0.00 C ATOM 217 NE ARG A 15 128.647 -6.053 -3.028 1.00 0.00 N ATOM 218 CZ ARG A 15 127.566 -6.840 -3.164 1.00 0.00 C ATOM 219 NH1 ARG A 15 126.588 -6.785 -2.271 1.00 0.00 N ATOM 220 NH2 ARG A 15 127.447 -7.681 -4.177 1.00 0.00 N ATOM 0 H ARG A 15 131.531 -2.094 0.711 1.00 0.00 H new ATOM 0 HA ARG A 15 129.903 -4.508 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 15 130.065 -2.096 -1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 15 131.293 -3.015 -2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 15 128.433 -3.074 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 15 129.676 -3.803 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 15 129.570 -5.539 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 15 127.900 -5.028 -1.360 1.00 0.00 H new ATOM 0 HE ARG A 15 129.375 -6.106 -3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 15 126.655 -6.145 -1.480 1.00 0.00 H new ATOM 0 HH12 ARG A 15 125.768 -7.383 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 15 128.186 -7.743 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 15 126.617 -8.268 -4.258 1.00 0.00 H new ATOM 234 N LYS A 16 131.849 -5.932 0.210 1.00 0.00 N ATOM 235 CA LYS A 16 132.938 -6.898 0.237 1.00 0.00 C ATOM 236 C LYS A 16 132.502 -8.288 -0.212 1.00 0.00 C ATOM 237 O LYS A 16 131.608 -8.885 0.389 1.00 0.00 O ATOM 238 CB LYS A 16 133.514 -6.943 1.656 1.00 0.00 C ATOM 239 CG LYS A 16 133.634 -8.320 2.294 1.00 0.00 C ATOM 240 CD LYS A 16 134.035 -8.158 3.756 1.00 0.00 C ATOM 241 CE LYS A 16 134.657 -9.408 4.338 1.00 0.00 C ATOM 242 NZ LYS A 16 134.237 -9.643 5.749 1.00 0.00 N ATOM 0 H LYS A 16 130.967 -6.295 0.571 1.00 0.00 H new ATOM 0 HA LYS A 16 133.700 -6.576 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 16 134.504 -6.488 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 16 132.889 -6.322 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 16 132.686 -8.852 2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 16 134.376 -8.917 1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 16 134.741 -7.332 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 16 133.155 -7.890 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 16 134.377 -10.268 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 16 135.743 -9.326 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 134.688 -10.510 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 134.527 -8.835 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 133.203 -9.748 5.791 1.00 0.00 H new ATOM 256 N ASP A 17 133.171 -8.835 -1.211 1.00 0.00 N ATOM 257 CA ASP A 17 132.886 -10.187 -1.656 1.00 0.00 C ATOM 258 C ASP A 17 131.435 -10.389 -2.089 1.00 0.00 C ATOM 259 O ASP A 17 130.802 -11.383 -1.727 1.00 0.00 O ATOM 260 CB ASP A 17 133.246 -11.179 -0.541 1.00 0.00 C ATOM 261 CG ASP A 17 134.256 -12.195 -1.015 1.00 0.00 C ATOM 262 OD1 ASP A 17 135.185 -11.793 -1.745 1.00 0.00 O ATOM 263 OD2 ASP A 17 134.119 -13.385 -0.664 1.00 0.00 O ATOM 0 H ASP A 17 133.914 -8.365 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 17 133.498 -10.367 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 17 133.647 -10.637 0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 17 132.345 -11.690 -0.201 1.00 0.00 H new ATOM 268 N GLY A 18 130.925 -9.470 -2.893 1.00 0.00 N ATOM 269 CA GLY A 18 129.569 -9.593 -3.394 1.00 0.00 C ATOM 270 C GLY A 18 128.490 -9.491 -2.328 1.00 0.00 C ATOM 271 O GLY A 18 127.315 -9.706 -2.623 1.00 0.00 O ATOM 0 H GLY A 18 131.425 -8.639 -3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 18 129.399 -8.817 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 18 129.469 -10.552 -3.903 1.00 0.00 H new ATOM 275 N GLU A 19 128.865 -9.177 -1.091 1.00 0.00 N ATOM 276 CA GLU A 19 127.880 -9.072 -0.027 1.00 0.00 C ATOM 277 C GLU A 19 128.018 -7.774 0.742 1.00 0.00 C ATOM 278 O GLU A 19 129.059 -7.116 0.704 1.00 0.00 O ATOM 279 CB GLU A 19 128.041 -10.238 0.937 1.00 0.00 C ATOM 280 CG GLU A 19 127.553 -11.569 0.382 1.00 0.00 C ATOM 281 CD GLU A 19 126.357 -12.114 1.138 1.00 0.00 C ATOM 282 OE1 GLU A 19 125.366 -11.371 1.297 1.00 0.00 O ATOM 283 OE2 GLU A 19 126.412 -13.285 1.570 1.00 0.00 O ATOM 0 H GLU A 19 129.827 -8.994 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 19 126.893 -9.092 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.093 -10.332 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.496 -10.016 1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 19 127.288 -11.445 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 19 128.365 -12.295 0.423 1.00 0.00 H new ATOM 290 N TRP A 20 126.960 -7.429 1.460 1.00 0.00 N ATOM 291 CA TRP A 20 126.950 -6.233 2.267 1.00 0.00 C ATOM 292 C TRP A 20 127.316 -6.586 3.691 1.00 0.00 C ATOM 293 O TRP A 20 126.628 -7.367 4.348 1.00 0.00 O ATOM 294 CB TRP A 20 125.598 -5.526 2.229 1.00 0.00 C ATOM 295 CG TRP A 20 125.372 -4.895 0.906 1.00 0.00 C ATOM 296 CD1 TRP A 20 124.454 -5.234 -0.047 1.00 0.00 C ATOM 297 CD2 TRP A 20 126.121 -3.810 0.380 1.00 0.00 C ATOM 298 NE1 TRP A 20 124.600 -4.411 -1.139 1.00 0.00 N ATOM 299 CE2 TRP A 20 125.612 -3.530 -0.891 1.00 0.00 C ATOM 300 CE3 TRP A 20 127.178 -3.039 0.866 1.00 0.00 C ATOM 301 CZ2 TRP A 20 126.121 -2.522 -1.678 1.00 0.00 C ATOM 302 CZ3 TRP A 20 127.680 -2.036 0.076 1.00 0.00 C ATOM 303 CH2 TRP A 20 127.150 -1.785 -1.183 1.00 0.00 C ATOM 0 H TRP A 20 126.095 -7.969 1.496 1.00 0.00 H new ATOM 0 HA TRP A 20 127.685 -5.542 1.854 1.00 0.00 H new ATOM 0 HB2 TRP A 20 124.802 -6.241 2.437 1.00 0.00 H new ATOM 0 HB3 TRP A 20 125.557 -4.768 3.011 1.00 0.00 H new ATOM 0 HD1 TRP A 20 123.726 -6.026 0.043 1.00 0.00 H new ATOM 0 HE1 TRP A 20 124.044 -4.452 -1.993 1.00 0.00 H new ATOM 0 HE3 TRP A 20 127.593 -3.228 1.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 125.715 -2.323 -2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 128.499 -1.433 0.438 1.00 0.00 H new ATOM 0 HH2 TRP A 20 127.564 -0.987 -1.781 1.00 0.00 H new ATOM 314 N VAL A 21 128.392 -6.001 4.167 1.00 0.00 N ATOM 315 CA VAL A 21 128.839 -6.248 5.528 1.00 0.00 C ATOM 316 C VAL A 21 128.731 -4.995 6.335 1.00 0.00 C ATOM 317 O VAL A 21 128.996 -3.900 5.860 1.00 0.00 O ATOM 318 CB VAL A 21 130.289 -6.747 5.638 1.00 0.00 C ATOM 319 CG1 VAL A 21 130.564 -7.209 7.061 1.00 0.00 C ATOM 320 CG2 VAL A 21 130.608 -7.871 4.664 1.00 0.00 C ATOM 0 H VAL A 21 128.975 -5.353 3.638 1.00 0.00 H new ATOM 0 HA VAL A 21 128.188 -7.038 5.903 1.00 0.00 H new ATOM 0 HB VAL A 21 130.934 -5.908 5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 21 131.592 -7.562 7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 21 130.415 -6.377 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 21 129.882 -8.019 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 21 131.646 -8.179 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 21 129.951 -8.719 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 21 130.456 -7.522 3.643 1.00 0.00 H new ATOM 330 N LEU A 22 128.323 -5.175 7.555 1.00 0.00 N ATOM 331 CA LEU A 22 128.155 -4.080 8.462 1.00 0.00 C ATOM 332 C LEU A 22 129.447 -3.289 8.641 1.00 0.00 C ATOM 333 O LEU A 22 130.494 -3.844 8.969 1.00 0.00 O ATOM 334 CB LEU A 22 127.645 -4.605 9.788 1.00 0.00 C ATOM 335 CG LEU A 22 126.196 -4.230 10.102 1.00 0.00 C ATOM 336 CD1 LEU A 22 125.888 -4.369 11.589 1.00 0.00 C ATOM 337 CD2 LEU A 22 125.900 -2.820 9.620 1.00 0.00 C ATOM 0 H LEU A 22 128.097 -6.088 7.950 1.00 0.00 H new ATOM 0 HA LEU A 22 127.423 -3.389 8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 22 127.736 -5.691 9.794 1.00 0.00 H new ATOM 0 HB3 LEU A 22 128.286 -4.228 10.585 1.00 0.00 H new ATOM 0 HG LEU A 22 125.548 -4.926 9.570 1.00 0.00 H new ATOM 0 HD11 LEU A 22 124.849 -4.094 11.773 1.00 0.00 H new ATOM 0 HD12 LEU A 22 126.050 -5.401 11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 22 126.544 -3.711 12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 22 124.865 -2.567 9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 22 126.566 -2.117 10.121 1.00 0.00 H new ATOM 0 HD23 LEU A 22 126.056 -2.763 8.543 1.00 0.00 H new ATOM 349 N LEU A 23 129.345 -1.984 8.434 1.00 0.00 N ATOM 350 CA LEU A 23 130.474 -1.071 8.575 1.00 0.00 C ATOM 351 C LEU A 23 131.025 -1.103 9.987 1.00 0.00 C ATOM 352 O LEU A 23 132.238 -1.140 10.189 1.00 0.00 O ATOM 353 CB LEU A 23 130.010 0.349 8.258 1.00 0.00 C ATOM 354 CG LEU A 23 131.075 1.454 8.286 1.00 0.00 C ATOM 355 CD1 LEU A 23 132.448 0.938 7.899 1.00 0.00 C ATOM 356 CD2 LEU A 23 130.666 2.581 7.358 1.00 0.00 C ATOM 0 H LEU A 23 128.475 -1.526 8.163 1.00 0.00 H new ATOM 0 HA LEU A 23 131.259 -1.382 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 23 129.554 0.343 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 23 129.227 0.616 8.968 1.00 0.00 H new ATOM 0 HG LEU A 23 131.143 1.820 9.310 1.00 0.00 H new ATOM 0 HD11 LEU A 23 133.167 1.756 7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 23 132.753 0.157 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 23 132.412 0.529 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.424 3.364 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.569 2.199 6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.710 2.992 7.684 1.00 0.00 H new ATOM 368 N SER A 24 130.133 -1.065 10.968 1.00 0.00 N ATOM 369 CA SER A 24 130.546 -1.059 12.361 1.00 0.00 C ATOM 370 C SER A 24 131.272 -2.347 12.713 1.00 0.00 C ATOM 371 O SER A 24 132.027 -2.384 13.684 1.00 0.00 O ATOM 372 CB SER A 24 129.335 -0.881 13.278 1.00 0.00 C ATOM 373 OG SER A 24 128.574 -2.074 13.355 1.00 0.00 O ATOM 0 H SER A 24 129.124 -1.038 10.824 1.00 0.00 H new ATOM 0 HA SER A 24 131.228 -0.221 12.506 1.00 0.00 H new ATOM 0 HB2 SER A 24 129.669 -0.594 14.275 1.00 0.00 H new ATOM 0 HB3 SER A 24 128.709 -0.070 12.906 1.00 0.00 H new ATOM 0 HG SER A 24 127.807 -1.935 13.948 1.00 0.00 H new ATOM 379 N THR A 25 131.092 -3.394 11.907 1.00 0.00 N ATOM 380 CA THR A 25 131.805 -4.632 12.166 1.00 0.00 C ATOM 381 C THR A 25 133.288 -4.410 11.879 1.00 0.00 C ATOM 382 O THR A 25 134.148 -5.155 12.351 1.00 0.00 O ATOM 383 CB THR A 25 131.257 -5.790 11.319 1.00 0.00 C ATOM 384 OG1 THR A 25 130.010 -6.228 11.824 1.00 0.00 O ATOM 385 CG2 THR A 25 132.167 -7.000 11.247 1.00 0.00 C ATOM 0 H THR A 25 130.476 -3.407 11.094 1.00 0.00 H new ATOM 0 HA THR A 25 131.664 -4.910 13.211 1.00 0.00 H new ATOM 0 HB THR A 25 131.168 -5.377 10.314 1.00 0.00 H new ATOM 0 HG1 THR A 25 129.674 -6.965 11.272 1.00 0.00 H new ATOM 0 HG21 THR A 25 131.702 -7.769 10.629 1.00 0.00 H new ATOM 0 HG22 THR A 25 133.122 -6.711 10.809 1.00 0.00 H new ATOM 0 HG23 THR A 25 132.332 -7.392 12.251 1.00 0.00 H new ATOM 393 N PHE A 26 133.572 -3.357 11.106 1.00 0.00 N ATOM 394 CA PHE A 26 134.931 -2.999 10.751 1.00 0.00 C ATOM 395 C PHE A 26 135.459 -1.908 11.669 1.00 0.00 C ATOM 396 O PHE A 26 136.609 -1.528 11.572 1.00 0.00 O ATOM 397 CB PHE A 26 135.011 -2.561 9.280 1.00 0.00 C ATOM 398 CG PHE A 26 134.637 -3.670 8.315 1.00 0.00 C ATOM 399 CD1 PHE A 26 133.313 -3.950 8.015 1.00 0.00 C ATOM 400 CD2 PHE A 26 135.625 -4.448 7.723 1.00 0.00 C ATOM 401 CE1 PHE A 26 132.981 -4.984 7.145 1.00 0.00 C ATOM 402 CE2 PHE A 26 135.303 -5.478 6.851 1.00 0.00 C ATOM 403 CZ PHE A 26 133.981 -5.753 6.560 1.00 0.00 C ATOM 0 H PHE A 26 132.863 -2.737 10.715 1.00 0.00 H new ATOM 0 HA PHE A 26 135.559 -3.881 10.878 1.00 0.00 H new ATOM 0 HB2 PHE A 26 134.348 -1.710 9.123 1.00 0.00 H new ATOM 0 HB3 PHE A 26 136.023 -2.221 9.061 1.00 0.00 H new ATOM 0 HD1 PHE A 26 132.529 -3.358 8.462 1.00 0.00 H new ATOM 0 HD2 PHE A 26 136.662 -4.247 7.946 1.00 0.00 H new ATOM 0 HE1 PHE A 26 131.944 -5.190 6.924 1.00 0.00 H new ATOM 0 HE2 PHE A 26 136.088 -6.066 6.399 1.00 0.00 H new ATOM 0 HZ PHE A 26 133.727 -6.557 5.885 1.00 0.00 H new ATOM 413 N LEU A 27 134.639 -1.418 12.586 1.00 0.00 N ATOM 414 CA LEU A 27 135.091 -0.379 13.502 1.00 0.00 C ATOM 415 C LEU A 27 135.164 -0.894 14.936 1.00 0.00 C ATOM 416 O LEU A 27 134.112 -1.300 15.471 1.00 0.00 O ATOM 417 CB LEU A 27 134.160 0.825 13.416 1.00 0.00 C ATOM 418 CG LEU A 27 133.543 1.056 12.035 1.00 0.00 C ATOM 419 CD1 LEU A 27 132.737 2.324 12.013 1.00 0.00 C ATOM 420 CD2 LEU A 27 134.595 1.142 10.950 1.00 0.00 C ATOM 421 OXT LEU A 27 136.273 -0.886 15.511 1.00 0.00 O ATOM 0 H LEU A 27 133.672 -1.716 12.716 1.00 0.00 H new ATOM 0 HA LEU A 27 136.097 -0.078 13.208 1.00 0.00 H new ATOM 0 HB2 LEU A 27 133.357 0.699 14.142 1.00 0.00 H new ATOM 0 HB3 LEU A 27 134.714 1.718 13.706 1.00 0.00 H new ATOM 0 HG LEU A 27 132.900 0.198 11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 27 132.309 2.466 11.021 1.00 0.00 H new ATOM 0 HD12 LEU A 27 131.935 2.258 12.748 1.00 0.00 H new ATOM 0 HD13 LEU A 27 133.382 3.169 12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 27 134.112 1.306 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 27 135.271 1.970 11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 27 135.161 0.211 10.918 1.00 0.00 H new ATOM 434 N GLY B 1 117.294 -6.389 -3.401 1.00 0.00 N ATOM 435 CA GLY B 1 117.421 -6.263 -4.879 1.00 0.00 C ATOM 436 C GLY B 1 118.730 -5.623 -5.294 1.00 0.00 C ATOM 437 O GLY B 1 119.796 -6.216 -5.127 1.00 0.00 O ATOM 0 H1 GLY B 1 116.479 -6.993 -3.173 1.00 0.00 H new ATOM 0 H2 GLY B 1 118.160 -6.815 -3.013 1.00 0.00 H new ATOM 0 H3 GLY B 1 117.154 -5.447 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY B 1 117.343 -7.251 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY B 1 116.592 -5.669 -5.263 1.00 0.00 H new ATOM 443 N TYR B 2 118.653 -4.409 -5.839 1.00 0.00 N ATOM 444 CA TYR B 2 119.843 -3.681 -6.282 1.00 0.00 C ATOM 445 C TYR B 2 119.793 -2.217 -5.826 1.00 0.00 C ATOM 446 O TYR B 2 118.777 -1.544 -5.997 1.00 0.00 O ATOM 447 CB TYR B 2 119.975 -3.778 -7.798 1.00 0.00 C ATOM 448 CG TYR B 2 120.818 -4.949 -8.264 1.00 0.00 C ATOM 449 CD1 TYR B 2 120.446 -6.257 -7.975 1.00 0.00 C ATOM 450 CD2 TYR B 2 121.983 -4.746 -8.993 1.00 0.00 C ATOM 451 CE1 TYR B 2 121.212 -7.329 -8.396 1.00 0.00 C ATOM 452 CE2 TYR B 2 122.754 -5.814 -9.417 1.00 0.00 C ATOM 453 CZ TYR B 2 122.365 -7.102 -9.116 1.00 0.00 C ATOM 454 OH TYR B 2 123.134 -8.166 -9.533 1.00 0.00 O ATOM 0 H TYR B 2 117.777 -3.908 -5.985 1.00 0.00 H new ATOM 0 HA TYR B 2 120.722 -4.136 -5.825 1.00 0.00 H new ATOM 0 HB2 TYR B 2 118.980 -3.861 -8.236 1.00 0.00 H new ATOM 0 HB3 TYR B 2 120.413 -2.854 -8.175 1.00 0.00 H new ATOM 0 HD1 TYR B 2 119.543 -6.439 -7.412 1.00 0.00 H new ATOM 0 HD2 TYR B 2 122.292 -3.739 -9.233 1.00 0.00 H new ATOM 0 HE1 TYR B 2 120.908 -8.339 -8.162 1.00 0.00 H new ATOM 0 HE2 TYR B 2 123.658 -5.639 -9.982 1.00 0.00 H new ATOM 0 HH TYR B 2 124.067 -7.879 -9.626 1.00 0.00 H new ATOM 464 N ILE B 3 120.890 -1.726 -5.236 1.00 0.00 N ATOM 465 CA ILE B 3 120.944 -0.339 -4.758 1.00 0.00 C ATOM 466 C ILE B 3 121.345 0.607 -5.885 1.00 0.00 C ATOM 467 O ILE B 3 121.991 0.197 -6.850 1.00 0.00 O ATOM 468 CB ILE B 3 121.981 -0.126 -3.628 1.00 0.00 C ATOM 469 CG1 ILE B 3 123.339 -0.660 -4.043 1.00 0.00 C ATOM 470 CG2 ILE B 3 121.561 -0.745 -2.315 1.00 0.00 C ATOM 471 CD1 ILE B 3 124.411 -0.446 -3.002 1.00 0.00 C ATOM 0 H ILE B 3 121.744 -2.262 -5.079 1.00 0.00 H new ATOM 0 HA ILE B 3 119.942 -0.130 -4.383 1.00 0.00 H new ATOM 0 HB ILE B 3 122.044 0.950 -3.467 1.00 0.00 H new ATOM 0 HG12 ILE B 3 123.253 -1.726 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE B 3 123.643 -0.177 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE B 3 122.329 -0.561 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE B 3 120.620 -0.302 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE B 3 121.430 -1.819 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE B 3 125.356 -0.852 -3.364 1.00 0.00 H new ATOM 0 HD12 ILE B 3 124.524 0.621 -2.810 1.00 0.00 H new ATOM 0 HD13 ILE B 3 124.128 -0.953 -2.079 1.00 0.00 H new ATOM 483 N PRO B 4 120.984 1.897 -5.772 1.00 0.00 N ATOM 484 CA PRO B 4 121.330 2.893 -6.769 1.00 0.00 C ATOM 485 C PRO B 4 122.705 3.508 -6.495 1.00 0.00 C ATOM 486 O PRO B 4 123.211 3.467 -5.373 1.00 0.00 O ATOM 487 CB PRO B 4 120.205 3.913 -6.641 1.00 0.00 C ATOM 488 CG PRO B 4 119.772 3.834 -5.207 1.00 0.00 C ATOM 489 CD PRO B 4 120.221 2.489 -4.664 1.00 0.00 C ATOM 0 HA PRO B 4 121.413 2.485 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO B 4 120.550 4.915 -6.895 1.00 0.00 H new ATOM 0 HB3 PRO B 4 119.381 3.679 -7.316 1.00 0.00 H new ATOM 0 HG2 PRO B 4 120.212 4.646 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO B 4 118.690 3.937 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO B 4 120.836 2.604 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO B 4 119.371 1.866 -4.387 1.00 0.00 H new ATOM 497 N GLU B 5 123.318 4.026 -7.556 1.00 0.00 N ATOM 498 CA GLU B 5 124.655 4.599 -7.496 1.00 0.00 C ATOM 499 C GLU B 5 124.781 5.743 -6.489 1.00 0.00 C ATOM 500 O GLU B 5 123.862 6.542 -6.306 1.00 0.00 O ATOM 501 CB GLU B 5 125.092 5.058 -8.892 1.00 0.00 C ATOM 502 CG GLU B 5 126.338 5.938 -8.906 1.00 0.00 C ATOM 503 CD GLU B 5 127.552 5.254 -9.517 1.00 0.00 C ATOM 504 OE1 GLU B 5 127.548 5.025 -10.746 1.00 0.00 O ATOM 505 OE2 GLU B 5 128.513 4.945 -8.763 1.00 0.00 O ATOM 0 H GLU B 5 122.897 4.059 -8.485 1.00 0.00 H new ATOM 0 HA GLU B 5 125.319 3.811 -7.142 1.00 0.00 H new ATOM 0 HB2 GLU B 5 125.277 4.178 -9.509 1.00 0.00 H new ATOM 0 HB3 GLU B 5 124.271 5.605 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU B 5 126.124 6.849 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU B 5 126.574 6.238 -7.885 1.00 0.00 H new ATOM 512 N ALA B 6 125.948 5.792 -5.840 1.00 0.00 N ATOM 513 CA ALA B 6 126.255 6.810 -4.839 1.00 0.00 C ATOM 514 C ALA B 6 126.831 8.088 -5.455 1.00 0.00 C ATOM 515 O ALA B 6 127.441 8.065 -6.524 1.00 0.00 O ATOM 516 CB ALA B 6 127.233 6.261 -3.810 1.00 0.00 C ATOM 0 H ALA B 6 126.704 5.126 -5.996 1.00 0.00 H new ATOM 0 HA ALA B 6 125.312 7.070 -4.359 1.00 0.00 H new ATOM 0 HB1 ALA B 6 127.453 7.031 -3.070 1.00 0.00 H new ATOM 0 HB2 ALA B 6 126.792 5.396 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA B 6 128.156 5.962 -4.308 1.00 0.00 H new ATOM 522 N PRO B 7 126.639 9.227 -4.761 1.00 0.00 N ATOM 523 CA PRO B 7 127.131 10.537 -5.203 1.00 0.00 C ATOM 524 C PRO B 7 128.611 10.533 -5.582 1.00 0.00 C ATOM 525 O PRO B 7 129.392 9.721 -5.084 1.00 0.00 O ATOM 526 CB PRO B 7 126.928 11.459 -3.990 1.00 0.00 C ATOM 527 CG PRO B 7 126.322 10.634 -2.900 1.00 0.00 C ATOM 528 CD PRO B 7 125.916 9.310 -3.484 1.00 0.00 C ATOM 0 HA PRO B 7 126.597 10.852 -6.100 1.00 0.00 H new ATOM 0 HB2 PRO B 7 127.878 11.884 -3.667 1.00 0.00 H new ATOM 0 HB3 PRO B 7 126.277 12.294 -4.247 1.00 0.00 H new ATOM 0 HG2 PRO B 7 127.037 10.489 -2.090 1.00 0.00 H new ATOM 0 HG3 PRO B 7 125.457 11.143 -2.474 1.00 0.00 H new ATOM 0 HD2 PRO B 7 126.185 8.486 -2.823 1.00 0.00 H new ATOM 0 HD3 PRO B 7 124.838 9.258 -3.635 1.00 0.00 H new ATOM 536 N ARG B 8 128.985 11.460 -6.463 1.00 0.00 N ATOM 537 CA ARG B 8 130.366 11.598 -6.918 1.00 0.00 C ATOM 538 C ARG B 8 130.969 12.890 -6.405 1.00 0.00 C ATOM 539 O ARG B 8 131.153 13.851 -7.153 1.00 0.00 O ATOM 540 CB ARG B 8 130.417 11.583 -8.427 1.00 0.00 C ATOM 541 CG ARG B 8 130.700 10.214 -9.022 1.00 0.00 C ATOM 542 CD ARG B 8 129.446 9.509 -9.508 1.00 0.00 C ATOM 543 NE ARG B 8 128.236 9.920 -8.793 1.00 0.00 N ATOM 544 CZ ARG B 8 127.249 10.632 -9.341 1.00 0.00 C ATOM 545 NH1 ARG B 8 127.349 11.082 -10.588 1.00 0.00 N ATOM 546 NH2 ARG B 8 126.160 10.902 -8.634 1.00 0.00 N ATOM 0 H ARG B 8 128.342 12.133 -6.879 1.00 0.00 H new ATOM 0 HA ARG B 8 130.942 10.759 -6.527 1.00 0.00 H new ATOM 0 HB2 ARG B 8 129.466 11.947 -8.816 1.00 0.00 H new ATOM 0 HB3 ARG B 8 131.186 12.279 -8.761 1.00 0.00 H new ATOM 0 HG2 ARG B 8 131.395 10.322 -9.854 1.00 0.00 H new ATOM 0 HG3 ARG B 8 131.193 9.593 -8.274 1.00 0.00 H new ATOM 0 HD2 ARG B 8 129.316 9.707 -10.572 1.00 0.00 H new ATOM 0 HD3 ARG B 8 129.577 8.433 -9.398 1.00 0.00 H new ATOM 0 HE ARG B 8 128.142 9.645 -7.815 1.00 0.00 H new ATOM 0 HH11 ARG B 8 128.186 10.884 -11.136 1.00 0.00 H new ATOM 0 HH12 ARG B 8 126.589 11.625 -10.997 1.00 0.00 H new ATOM 0 HH21 ARG B 8 126.079 10.566 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG B 8 125.404 11.446 -9.050 1.00 0.00 H new ATOM 560 N ASP B 9 131.268 12.904 -5.126 1.00 0.00 N ATOM 561 CA ASP B 9 131.848 14.076 -4.495 1.00 0.00 C ATOM 562 C ASP B 9 133.269 13.807 -4.001 1.00 0.00 C ATOM 563 O ASP B 9 133.838 14.619 -3.271 1.00 0.00 O ATOM 564 CB ASP B 9 130.998 14.525 -3.307 1.00 0.00 C ATOM 565 CG ASP B 9 130.872 13.449 -2.246 1.00 0.00 C ATOM 566 OD1 ASP B 9 130.884 12.254 -2.608 1.00 0.00 O ATOM 567 OD2 ASP B 9 130.761 13.802 -1.053 1.00 0.00 O ATOM 0 H ASP B 9 131.120 12.115 -4.497 1.00 0.00 H new ATOM 0 HA ASP B 9 131.877 14.860 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP B 9 131.440 15.418 -2.864 1.00 0.00 H new ATOM 0 HB3 ASP B 9 130.004 14.802 -3.659 1.00 0.00 H new ATOM 572 N GLY B 10 133.845 12.679 -4.398 1.00 0.00 N ATOM 573 CA GLY B 10 135.199 12.364 -3.970 1.00 0.00 C ATOM 574 C GLY B 10 135.251 11.824 -2.559 1.00 0.00 C ATOM 575 O GLY B 10 136.321 11.775 -1.952 1.00 0.00 O ATOM 0 H GLY B 10 133.407 11.983 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY B 10 135.631 11.631 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY B 10 135.815 13.261 -4.035 1.00 0.00 H new ATOM 579 N GLN B 11 134.095 11.424 -2.033 1.00 0.00 N ATOM 580 CA GLN B 11 134.014 10.875 -0.687 1.00 0.00 C ATOM 581 C GLN B 11 133.502 9.456 -0.724 1.00 0.00 C ATOM 582 O GLN B 11 132.850 9.041 -1.680 1.00 0.00 O ATOM 583 CB GLN B 11 133.112 11.707 0.212 1.00 0.00 C ATOM 584 CG GLN B 11 133.810 12.165 1.486 1.00 0.00 C ATOM 585 CD GLN B 11 133.447 13.577 1.879 1.00 0.00 C ATOM 586 OE1 GLN B 11 133.089 13.852 3.024 1.00 0.00 O ATOM 587 NE2 GLN B 11 133.535 14.473 0.919 1.00 0.00 N ATOM 0 H GLN B 11 133.201 11.471 -2.522 1.00 0.00 H new ATOM 0 HA GLN B 11 135.023 10.894 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN B 11 132.762 12.580 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN B 11 132.231 11.123 0.476 1.00 0.00 H new ATOM 0 HG2 GLN B 11 133.550 11.488 2.300 1.00 0.00 H new ATOM 0 HG3 GLN B 11 134.889 12.098 1.348 1.00 0.00 H new ATOM 0 HE21 GLN B 11 133.837 14.193 -0.014 1.00 0.00 H new ATOM 0 HE22 GLN B 11 133.301 15.448 1.108 1.00 0.00 H new ATOM 596 N ALA B 12 133.797 8.727 0.333 1.00 0.00 N ATOM 597 CA ALA B 12 133.389 7.339 0.467 1.00 0.00 C ATOM 598 C ALA B 12 132.075 7.221 1.186 1.00 0.00 C ATOM 599 O ALA B 12 131.830 7.881 2.196 1.00 0.00 O ATOM 600 CB ALA B 12 134.469 6.528 1.172 1.00 0.00 C ATOM 0 H ALA B 12 134.329 9.080 1.128 1.00 0.00 H new ATOM 0 HA ALA B 12 133.253 6.932 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA B 12 134.145 5.491 1.263 1.00 0.00 H new ATOM 0 HB2 ALA B 12 135.392 6.570 0.593 1.00 0.00 H new ATOM 0 HB3 ALA B 12 134.644 6.941 2.165 1.00 0.00 H new ATOM 606 N TYR B 13 131.231 6.371 0.641 1.00 0.00 N ATOM 607 CA TYR B 13 129.924 6.141 1.196 1.00 0.00 C ATOM 608 C TYR B 13 129.721 4.719 1.577 1.00 0.00 C ATOM 609 O TYR B 13 130.277 3.800 0.977 1.00 0.00 O ATOM 610 CB TYR B 13 128.840 6.470 0.213 1.00 0.00 C ATOM 611 CG TYR B 13 128.663 7.942 0.069 1.00 0.00 C ATOM 612 CD1 TYR B 13 128.135 8.668 1.104 1.00 0.00 C ATOM 613 CD2 TYR B 13 129.058 8.600 -1.064 1.00 0.00 C ATOM 614 CE1 TYR B 13 128.000 10.028 1.023 1.00 0.00 C ATOM 615 CE2 TYR B 13 128.936 9.970 -1.167 1.00 0.00 C ATOM 616 CZ TYR B 13 128.407 10.683 -0.115 1.00 0.00 C ATOM 617 OH TYR B 13 128.281 12.051 -0.202 1.00 0.00 O ATOM 0 H TYR B 13 131.435 5.824 -0.196 1.00 0.00 H new ATOM 0 HA TYR B 13 129.869 6.786 2.073 1.00 0.00 H new ATOM 0 HB2 TYR B 13 129.082 6.035 -0.757 1.00 0.00 H new ATOM 0 HB3 TYR B 13 127.902 6.020 0.539 1.00 0.00 H new ATOM 0 HD1 TYR B 13 127.819 8.157 2.002 1.00 0.00 H new ATOM 0 HD2 TYR B 13 129.471 8.039 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR B 13 127.577 10.582 1.847 1.00 0.00 H new ATOM 0 HE2 TYR B 13 129.253 10.479 -2.065 1.00 0.00 H new ATOM 0 HH TYR B 13 129.145 12.444 -0.444 1.00 0.00 H new ATOM 627 N VAL B 14 128.853 4.550 2.528 1.00 0.00 N ATOM 628 CA VAL B 14 128.474 3.260 2.968 1.00 0.00 C ATOM 629 C VAL B 14 127.010 3.078 2.666 1.00 0.00 C ATOM 630 O VAL B 14 126.292 4.052 2.435 1.00 0.00 O ATOM 631 CB VAL B 14 128.794 3.051 4.439 1.00 0.00 C ATOM 632 CG1 VAL B 14 128.648 4.329 5.246 1.00 0.00 C ATOM 633 CG2 VAL B 14 127.972 1.933 5.019 1.00 0.00 C ATOM 0 H VAL B 14 128.390 5.315 3.018 1.00 0.00 H new ATOM 0 HA VAL B 14 129.048 2.500 2.438 1.00 0.00 H new ATOM 0 HB VAL B 14 129.843 2.761 4.501 1.00 0.00 H new ATOM 0 HG11 VAL B 14 128.887 4.129 6.290 1.00 0.00 H new ATOM 0 HG12 VAL B 14 129.329 5.085 4.856 1.00 0.00 H new ATOM 0 HG13 VAL B 14 127.623 4.691 5.171 1.00 0.00 H new ATOM 0 HG21 VAL B 14 128.222 1.806 6.072 1.00 0.00 H new ATOM 0 HG22 VAL B 14 126.913 2.173 4.924 1.00 0.00 H new ATOM 0 HG23 VAL B 14 128.184 1.009 4.482 1.00 0.00 H new ATOM 643 N ARG B 15 126.574 1.842 2.603 1.00 0.00 N ATOM 644 CA ARG B 15 125.195 1.584 2.250 1.00 0.00 C ATOM 645 C ARG B 15 124.399 1.179 3.490 1.00 0.00 C ATOM 646 O ARG B 15 124.527 0.073 4.018 1.00 0.00 O ATOM 647 CB ARG B 15 125.162 0.505 1.140 1.00 0.00 C ATOM 648 CG ARG B 15 124.246 0.756 -0.070 1.00 0.00 C ATOM 649 CD ARG B 15 123.247 1.890 0.099 1.00 0.00 C ATOM 650 NE ARG B 15 121.892 1.540 -0.362 1.00 0.00 N ATOM 651 CZ ARG B 15 121.188 2.265 -1.248 1.00 0.00 C ATOM 652 NH1 ARG B 15 121.719 3.351 -1.787 1.00 0.00 N ATOM 653 NH2 ARG B 15 119.958 1.929 -1.589 1.00 0.00 N ATOM 0 H ARG B 15 127.139 1.013 2.787 1.00 0.00 H new ATOM 0 HA ARG B 15 124.722 2.486 1.860 1.00 0.00 H new ATOM 0 HB2 ARG B 15 126.179 0.372 0.770 1.00 0.00 H new ATOM 0 HB3 ARG B 15 124.864 -0.438 1.597 1.00 0.00 H new ATOM 0 HG2 ARG B 15 124.869 0.968 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG B 15 123.698 -0.161 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG B 15 123.204 2.175 1.150 1.00 0.00 H new ATOM 0 HD3 ARG B 15 123.599 2.761 -0.454 1.00 0.00 H new ATOM 0 HE ARG B 15 121.462 0.695 0.015 1.00 0.00 H new ATOM 0 HH11 ARG B 15 122.663 3.638 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG B 15 121.184 3.901 -2.459 1.00 0.00 H new ATOM 0 HH21 ARG B 15 119.522 1.104 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG B 15 119.443 2.495 -2.264 1.00 0.00 H new ATOM 667 N LYS B 16 123.554 2.131 3.925 1.00 0.00 N ATOM 668 CA LYS B 16 122.681 1.966 5.085 1.00 0.00 C ATOM 669 C LYS B 16 121.287 2.519 4.821 1.00 0.00 C ATOM 670 O LYS B 16 121.140 3.700 4.499 1.00 0.00 O ATOM 671 CB LYS B 16 123.295 2.652 6.310 1.00 0.00 C ATOM 672 CG LYS B 16 122.345 3.496 7.153 1.00 0.00 C ATOM 673 CD LYS B 16 123.141 4.293 8.173 1.00 0.00 C ATOM 674 CE LYS B 16 122.690 4.049 9.591 1.00 0.00 C ATOM 675 NZ LYS B 16 123.755 4.381 10.576 1.00 0.00 N ATOM 0 H LYS B 16 123.463 3.041 3.473 1.00 0.00 H new ATOM 0 HA LYS B 16 122.585 0.898 5.279 1.00 0.00 H new ATOM 0 HB2 LYS B 16 123.732 1.885 6.950 1.00 0.00 H new ATOM 0 HB3 LYS B 16 124.112 3.289 5.973 1.00 0.00 H new ATOM 0 HG2 LYS B 16 121.776 4.170 6.513 1.00 0.00 H new ATOM 0 HG3 LYS B 16 121.624 2.854 7.660 1.00 0.00 H new ATOM 0 HD2 LYS B 16 124.196 4.036 8.084 1.00 0.00 H new ATOM 0 HD3 LYS B 16 123.051 5.355 7.946 1.00 0.00 H new ATOM 0 HE2 LYS B 16 121.804 4.649 9.798 1.00 0.00 H new ATOM 0 HE3 LYS B 16 122.402 3.004 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 123.497 3.999 11.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 124.656 3.962 10.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 123.858 5.414 10.641 1.00 0.00 H new ATOM 689 N ASP B 17 120.266 1.709 5.017 1.00 0.00 N ATOM 690 CA ASP B 17 118.902 2.180 4.861 1.00 0.00 C ATOM 691 C ASP B 17 118.631 2.768 3.476 1.00 0.00 C ATOM 692 O ASP B 17 117.937 3.777 3.344 1.00 0.00 O ATOM 693 CB ASP B 17 118.593 3.221 5.934 1.00 0.00 C ATOM 694 CG ASP B 17 117.466 2.781 6.841 1.00 0.00 C ATOM 695 OD1 ASP B 17 117.368 1.566 7.109 1.00 0.00 O ATOM 696 OD2 ASP B 17 116.680 3.648 7.279 1.00 0.00 O ATOM 0 H ASP B 17 120.352 0.728 5.283 1.00 0.00 H new ATOM 0 HA ASP B 17 118.249 1.315 4.972 1.00 0.00 H new ATOM 0 HB2 ASP B 17 119.487 3.404 6.530 1.00 0.00 H new ATOM 0 HB3 ASP B 17 118.328 4.165 5.458 1.00 0.00 H new ATOM 701 N GLY B 18 119.143 2.116 2.446 1.00 0.00 N ATOM 702 CA GLY B 18 118.920 2.549 1.083 1.00 0.00 C ATOM 703 C GLY B 18 119.616 3.843 0.703 1.00 0.00 C ATOM 704 O GLY B 18 119.325 4.403 -0.353 1.00 0.00 O ATOM 0 H GLY B 18 119.720 1.279 2.532 1.00 0.00 H new ATOM 0 HA2 GLY B 18 119.254 1.762 0.407 1.00 0.00 H new ATOM 0 HA3 GLY B 18 117.848 2.670 0.926 1.00 0.00 H new ATOM 708 N GLU B 19 120.518 4.344 1.545 1.00 0.00 N ATOM 709 CA GLU B 19 121.194 5.586 1.237 1.00 0.00 C ATOM 710 C GLU B 19 122.695 5.466 1.396 1.00 0.00 C ATOM 711 O GLU B 19 123.196 4.592 2.102 1.00 0.00 O ATOM 712 CB GLU B 19 120.677 6.697 2.148 1.00 0.00 C ATOM 713 CG GLU B 19 119.471 6.312 2.997 1.00 0.00 C ATOM 714 CD GLU B 19 118.989 7.452 3.874 1.00 0.00 C ATOM 715 OE1 GLU B 19 119.811 8.009 4.632 1.00 0.00 O ATOM 716 OE2 GLU B 19 117.787 7.788 3.805 1.00 0.00 O ATOM 0 H GLU B 19 120.789 3.912 2.429 1.00 0.00 H new ATOM 0 HA GLU B 19 120.982 5.825 0.195 1.00 0.00 H new ATOM 0 HB2 GLU B 19 121.484 7.012 2.809 1.00 0.00 H new ATOM 0 HB3 GLU B 19 120.413 7.558 1.535 1.00 0.00 H new ATOM 0 HG2 GLU B 19 118.659 5.992 2.344 1.00 0.00 H new ATOM 0 HG3 GLU B 19 119.730 5.460 3.625 1.00 0.00 H new ATOM 723 N TRP B 20 123.402 6.379 0.749 1.00 0.00 N ATOM 724 CA TRP B 20 124.841 6.415 0.827 1.00 0.00 C ATOM 725 C TRP B 20 125.252 7.360 1.932 1.00 0.00 C ATOM 726 O TRP B 20 125.033 8.567 1.847 1.00 0.00 O ATOM 727 CB TRP B 20 125.449 6.827 -0.507 1.00 0.00 C ATOM 728 CG TRP B 20 125.224 5.755 -1.509 1.00 0.00 C ATOM 729 CD1 TRP B 20 124.441 5.772 -2.631 1.00 0.00 C ATOM 730 CD2 TRP B 20 125.783 4.458 -1.427 1.00 0.00 C ATOM 731 NE1 TRP B 20 124.501 4.543 -3.254 1.00 0.00 N ATOM 732 CE2 TRP B 20 125.322 3.731 -2.528 1.00 0.00 C ATOM 733 CE3 TRP B 20 126.643 3.844 -0.520 1.00 0.00 C ATOM 734 CZ2 TRP B 20 125.690 2.424 -2.744 1.00 0.00 C ATOM 735 CZ3 TRP B 20 127.005 2.543 -0.738 1.00 0.00 C ATOM 736 CH2 TRP B 20 126.530 1.845 -1.846 1.00 0.00 C ATOM 0 H TRP B 20 122.993 7.106 0.162 1.00 0.00 H new ATOM 0 HA TRP B 20 125.216 5.417 1.055 1.00 0.00 H new ATOM 0 HB2 TRP B 20 125.001 7.759 -0.850 1.00 0.00 H new ATOM 0 HB3 TRP B 20 126.517 7.011 -0.390 1.00 0.00 H new ATOM 0 HD1 TRP B 20 123.865 6.618 -2.976 1.00 0.00 H new ATOM 0 HE1 TRP B 20 124.014 4.285 -4.112 1.00 0.00 H new ATOM 0 HE3 TRP B 20 127.016 4.384 0.338 1.00 0.00 H new ATOM 0 HZ2 TRP B 20 125.324 1.875 -3.599 1.00 0.00 H new ATOM 0 HZ3 TRP B 20 127.668 2.050 -0.042 1.00 0.00 H new ATOM 0 HH2 TRP B 20 126.836 0.820 -1.995 1.00 0.00 H new ATOM 747 N VAL B 21 125.840 6.807 2.976 1.00 0.00 N ATOM 748 CA VAL B 21 126.269 7.614 4.103 1.00 0.00 C ATOM 749 C VAL B 21 127.761 7.692 4.151 1.00 0.00 C ATOM 750 O VAL B 21 128.468 6.705 3.959 1.00 0.00 O ATOM 751 CB VAL B 21 125.791 7.088 5.470 1.00 0.00 C ATOM 752 CG1 VAL B 21 126.098 8.121 6.546 1.00 0.00 C ATOM 753 CG2 VAL B 21 124.307 6.760 5.500 1.00 0.00 C ATOM 0 H VAL B 21 126.031 5.809 3.068 1.00 0.00 H new ATOM 0 HA VAL B 21 125.816 8.591 3.938 1.00 0.00 H new ATOM 0 HB VAL B 21 126.328 6.158 5.656 1.00 0.00 H new ATOM 0 HG11 VAL B 21 125.760 7.750 7.514 1.00 0.00 H new ATOM 0 HG12 VAL B 21 127.172 8.301 6.581 1.00 0.00 H new ATOM 0 HG13 VAL B 21 125.581 9.052 6.314 1.00 0.00 H new ATOM 0 HG21 VAL B 21 124.035 6.395 6.490 1.00 0.00 H new ATOM 0 HG22 VAL B 21 123.731 7.657 5.273 1.00 0.00 H new ATOM 0 HG23 VAL B 21 124.089 5.992 4.758 1.00 0.00 H new ATOM 763 N LEU B 22 128.222 8.886 4.411 1.00 0.00 N ATOM 764 CA LEU B 22 129.624 9.147 4.499 1.00 0.00 C ATOM 765 C LEU B 22 130.301 8.173 5.446 1.00 0.00 C ATOM 766 O LEU B 22 129.937 8.048 6.615 1.00 0.00 O ATOM 767 CB LEU B 22 129.823 10.579 4.919 1.00 0.00 C ATOM 768 CG LEU B 22 130.180 11.523 3.771 1.00 0.00 C ATOM 769 CD1 LEU B 22 130.705 12.819 4.319 1.00 0.00 C ATOM 770 CD2 LEU B 22 131.208 10.909 2.830 1.00 0.00 C ATOM 0 H LEU B 22 127.631 9.703 4.567 1.00 0.00 H new ATOM 0 HA LEU B 22 130.091 9.000 3.525 1.00 0.00 H new ATOM 0 HB2 LEU B 22 128.911 10.936 5.398 1.00 0.00 H new ATOM 0 HB3 LEU B 22 130.614 10.620 5.668 1.00 0.00 H new ATOM 0 HG LEU B 22 129.270 11.704 3.198 1.00 0.00 H new ATOM 0 HD11 LEU B 22 130.957 13.487 3.495 1.00 0.00 H new ATOM 0 HD12 LEU B 22 129.943 13.285 4.944 1.00 0.00 H new ATOM 0 HD13 LEU B 22 131.596 12.627 4.916 1.00 0.00 H new ATOM 0 HD21 LEU B 22 131.434 11.613 2.029 1.00 0.00 H new ATOM 0 HD22 LEU B 22 132.120 10.685 3.384 1.00 0.00 H new ATOM 0 HD23 LEU B 22 130.807 9.989 2.403 1.00 0.00 H new ATOM 782 N LEU B 23 131.285 7.484 4.908 1.00 0.00 N ATOM 783 CA LEU B 23 132.053 6.494 5.645 1.00 0.00 C ATOM 784 C LEU B 23 132.679 7.114 6.870 1.00 0.00 C ATOM 785 O LEU B 23 132.801 6.482 7.919 1.00 0.00 O ATOM 786 CB LEU B 23 133.151 5.978 4.737 1.00 0.00 C ATOM 787 CG LEU B 23 134.269 5.150 5.391 1.00 0.00 C ATOM 788 CD1 LEU B 23 133.740 4.099 6.345 1.00 0.00 C ATOM 789 CD2 LEU B 23 135.107 4.478 4.330 1.00 0.00 C ATOM 0 H LEU B 23 131.580 7.594 3.938 1.00 0.00 H new ATOM 0 HA LEU B 23 131.395 5.685 5.962 1.00 0.00 H new ATOM 0 HB2 LEU B 23 132.689 5.369 3.960 1.00 0.00 H new ATOM 0 HB3 LEU B 23 133.610 6.833 4.241 1.00 0.00 H new ATOM 0 HG LEU B 23 134.875 5.847 5.970 1.00 0.00 H new ATOM 0 HD11 LEU B 23 134.574 3.546 6.776 1.00 0.00 H new ATOM 0 HD12 LEU B 23 133.175 4.582 7.142 1.00 0.00 H new ATOM 0 HD13 LEU B 23 133.090 3.411 5.804 1.00 0.00 H new ATOM 0 HD21 LEU B 23 135.896 3.894 4.805 1.00 0.00 H new ATOM 0 HD22 LEU B 23 134.477 3.819 3.732 1.00 0.00 H new ATOM 0 HD23 LEU B 23 135.554 5.235 3.686 1.00 0.00 H new ATOM 801 N SER B 24 133.086 8.353 6.723 1.00 0.00 N ATOM 802 CA SER B 24 133.724 9.069 7.813 1.00 0.00 C ATOM 803 C SER B 24 132.762 9.232 8.983 1.00 0.00 C ATOM 804 O SER B 24 133.194 9.468 10.111 1.00 0.00 O ATOM 805 CB SER B 24 134.205 10.444 7.342 1.00 0.00 C ATOM 806 OG SER B 24 135.295 10.898 8.125 1.00 0.00 O ATOM 0 H SER B 24 132.989 8.890 5.861 1.00 0.00 H new ATOM 0 HA SER B 24 134.584 8.487 8.143 1.00 0.00 H new ATOM 0 HB2 SER B 24 134.503 10.390 6.295 1.00 0.00 H new ATOM 0 HB3 SER B 24 133.386 11.160 7.403 1.00 0.00 H new ATOM 0 HG SER B 24 135.585 11.777 7.804 1.00 0.00 H new ATOM 812 N THR B 25 131.463 9.053 8.740 1.00 0.00 N ATOM 813 CA THR B 25 130.501 9.136 9.829 1.00 0.00 C ATOM 814 C THR B 25 130.655 7.906 10.726 1.00 0.00 C ATOM 815 O THR B 25 130.236 7.896 11.884 1.00 0.00 O ATOM 816 CB THR B 25 129.064 9.225 9.296 1.00 0.00 C ATOM 817 OG1 THR B 25 128.792 10.529 8.819 1.00 0.00 O ATOM 818 CG2 THR B 25 127.998 8.884 10.316 1.00 0.00 C ATOM 0 H THR B 25 131.064 8.855 7.822 1.00 0.00 H new ATOM 0 HA THR B 25 130.698 10.041 10.403 1.00 0.00 H new ATOM 0 HB THR B 25 129.018 8.482 8.500 1.00 0.00 H new ATOM 0 HG1 THR B 25 127.873 10.569 8.481 1.00 0.00 H new ATOM 0 HG21 THR B 25 127.013 8.972 9.857 1.00 0.00 H new ATOM 0 HG22 THR B 25 128.144 7.863 10.668 1.00 0.00 H new ATOM 0 HG23 THR B 25 128.068 9.571 11.159 1.00 0.00 H new ATOM 826 N PHE B 26 131.276 6.873 10.155 1.00 0.00 N ATOM 827 CA PHE B 26 131.529 5.612 10.839 1.00 0.00 C ATOM 828 C PHE B 26 132.957 5.570 11.346 1.00 0.00 C ATOM 829 O PHE B 26 133.364 4.642 12.029 1.00 0.00 O ATOM 830 CB PHE B 26 131.232 4.455 9.881 1.00 0.00 C ATOM 831 CG PHE B 26 129.758 4.379 9.575 1.00 0.00 C ATOM 832 CD1 PHE B 26 128.868 3.807 10.473 1.00 0.00 C ATOM 833 CD2 PHE B 26 129.253 4.947 8.419 1.00 0.00 C ATOM 834 CE1 PHE B 26 127.506 3.794 10.214 1.00 0.00 C ATOM 835 CE2 PHE B 26 127.897 4.951 8.159 1.00 0.00 C ATOM 836 CZ PHE B 26 127.015 4.373 9.057 1.00 0.00 C ATOM 0 H PHE B 26 131.619 6.892 9.195 1.00 0.00 H new ATOM 0 HA PHE B 26 130.875 5.518 11.706 1.00 0.00 H new ATOM 0 HB2 PHE B 26 131.794 4.589 8.956 1.00 0.00 H new ATOM 0 HB3 PHE B 26 131.565 3.516 10.323 1.00 0.00 H new ATOM 0 HD1 PHE B 26 129.241 3.366 11.386 1.00 0.00 H new ATOM 0 HD2 PHE B 26 129.931 5.395 7.708 1.00 0.00 H new ATOM 0 HE1 PHE B 26 126.828 3.332 10.916 1.00 0.00 H new ATOM 0 HE2 PHE B 26 127.523 5.406 7.254 1.00 0.00 H new ATOM 0 HZ PHE B 26 125.954 4.374 8.856 1.00 0.00 H new ATOM 846 N LEU B 27 133.719 6.597 11.033 1.00 0.00 N ATOM 847 CA LEU B 27 135.091 6.664 11.469 1.00 0.00 C ATOM 848 C LEU B 27 135.276 7.728 12.547 1.00 0.00 C ATOM 849 O LEU B 27 135.916 7.423 13.576 1.00 0.00 O ATOM 850 CB LEU B 27 135.974 6.960 10.271 1.00 0.00 C ATOM 851 CG LEU B 27 136.908 5.829 9.869 1.00 0.00 C ATOM 852 CD1 LEU B 27 136.227 4.469 9.885 1.00 0.00 C ATOM 853 CD2 LEU B 27 137.513 6.106 8.525 1.00 0.00 C ATOM 854 OXT LEU B 27 134.782 8.858 12.351 1.00 0.00 O ATOM 0 H LEU B 27 133.408 7.395 10.478 1.00 0.00 H new ATOM 0 HA LEU B 27 135.373 5.706 11.906 1.00 0.00 H new ATOM 0 HB2 LEU B 27 135.338 7.206 9.421 1.00 0.00 H new ATOM 0 HB3 LEU B 27 136.572 7.845 10.488 1.00 0.00 H new ATOM 0 HG LEU B 27 137.700 5.788 10.617 1.00 0.00 H new ATOM 0 HD11 LEU B 27 136.942 3.701 9.590 1.00 0.00 H new ATOM 0 HD12 LEU B 27 135.861 4.257 10.890 1.00 0.00 H new ATOM 0 HD13 LEU B 27 135.390 4.473 9.187 1.00 0.00 H new ATOM 0 HD21 LEU B 27 138.179 5.288 8.250 1.00 0.00 H new ATOM 0 HD22 LEU B 27 136.721 6.195 7.781 1.00 0.00 H new ATOM 0 HD23 LEU B 27 138.079 7.037 8.566 1.00 0.00 H new ATOM 867 N GLY C 1 122.005 6.111 -11.811 1.00 0.00 N ATOM 868 CA GLY C 1 120.920 5.241 -11.283 1.00 0.00 C ATOM 869 C GLY C 1 121.433 4.180 -10.330 1.00 0.00 C ATOM 870 O GLY C 1 121.133 4.219 -9.139 1.00 0.00 O ATOM 0 H1 GLY C 1 121.600 6.818 -12.457 1.00 0.00 H new ATOM 0 H2 GLY C 1 122.478 6.594 -11.021 1.00 0.00 H new ATOM 0 H3 GLY C 1 122.697 5.529 -12.325 1.00 0.00 H new ATOM 0 HA2 GLY C 1 120.182 5.858 -10.770 1.00 0.00 H new ATOM 0 HA3 GLY C 1 120.409 4.759 -12.116 1.00 0.00 H new ATOM 876 N TYR C 2 122.198 3.221 -10.850 1.00 0.00 N ATOM 877 CA TYR C 2 122.736 2.143 -10.024 1.00 0.00 C ATOM 878 C TYR C 2 124.254 2.012 -10.184 1.00 0.00 C ATOM 879 O TYR C 2 124.796 2.252 -11.263 1.00 0.00 O ATOM 880 CB TYR C 2 122.069 0.820 -10.385 1.00 0.00 C ATOM 881 CG TYR C 2 120.684 0.616 -9.804 1.00 0.00 C ATOM 882 CD1 TYR C 2 119.685 1.570 -9.960 1.00 0.00 C ATOM 883 CD2 TYR C 2 120.372 -0.548 -9.115 1.00 0.00 C ATOM 884 CE1 TYR C 2 118.418 1.371 -9.439 1.00 0.00 C ATOM 885 CE2 TYR C 2 119.108 -0.755 -8.596 1.00 0.00 C ATOM 886 CZ TYR C 2 118.136 0.206 -8.759 1.00 0.00 C ATOM 887 OH TYR C 2 116.877 0.001 -8.240 1.00 0.00 O ATOM 0 H TYR C 2 122.458 3.169 -11.835 1.00 0.00 H new ATOM 0 HA TYR C 2 122.524 2.390 -8.984 1.00 0.00 H new ATOM 0 HB2 TYR C 2 122.004 0.748 -11.471 1.00 0.00 H new ATOM 0 HB3 TYR C 2 122.710 0.005 -10.049 1.00 0.00 H new ATOM 0 HD1 TYR C 2 119.901 2.482 -10.497 1.00 0.00 H new ATOM 0 HD2 TYR C 2 121.130 -1.305 -8.982 1.00 0.00 H new ATOM 0 HE1 TYR C 2 117.655 2.125 -9.565 1.00 0.00 H new ATOM 0 HE2 TYR C 2 118.884 -1.668 -8.064 1.00 0.00 H new ATOM 0 HH TYR C 2 116.846 -0.870 -7.792 1.00 0.00 H new ATOM 897 N ILE C 3 124.933 1.616 -9.106 1.00 0.00 N ATOM 898 CA ILE C 3 126.388 1.430 -9.136 1.00 0.00 C ATOM 899 C ILE C 3 126.762 0.038 -9.597 1.00 0.00 C ATOM 900 O ILE C 3 125.980 -0.903 -9.470 1.00 0.00 O ATOM 901 CB ILE C 3 127.071 1.581 -7.768 1.00 0.00 C ATOM 902 CG1 ILE C 3 126.251 0.930 -6.666 1.00 0.00 C ATOM 903 CG2 ILE C 3 127.372 3.021 -7.429 1.00 0.00 C ATOM 904 CD1 ILE C 3 126.809 1.161 -5.282 1.00 0.00 C ATOM 0 H ILE C 3 124.502 1.418 -8.203 1.00 0.00 H new ATOM 0 HA ILE C 3 126.725 2.211 -9.817 1.00 0.00 H new ATOM 0 HB ILE C 3 128.026 1.061 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE C 3 125.232 1.315 -6.707 1.00 0.00 H new ATOM 0 HG13 ILE C 3 126.194 -0.143 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE C 3 127.854 3.072 -6.453 1.00 0.00 H new ATOM 0 HG22 ILE C 3 128.036 3.441 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE C 3 126.443 3.591 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE C 3 126.173 0.668 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE C 3 127.817 0.751 -5.223 1.00 0.00 H new ATOM 0 HD13 ILE C 3 126.840 2.231 -5.076 1.00 0.00 H new ATOM 916 N PRO C 4 127.992 -0.124 -10.098 1.00 0.00 N ATOM 917 CA PRO C 4 128.488 -1.406 -10.519 1.00 0.00 C ATOM 918 C PRO C 4 129.134 -2.151 -9.350 1.00 0.00 C ATOM 919 O PRO C 4 129.654 -1.546 -8.416 1.00 0.00 O ATOM 920 CB PRO C 4 129.497 -1.064 -11.617 1.00 0.00 C ATOM 921 CG PRO C 4 129.844 0.389 -11.417 1.00 0.00 C ATOM 922 CD PRO C 4 129.011 0.910 -10.263 1.00 0.00 C ATOM 0 HA PRO C 4 127.705 -2.073 -10.880 1.00 0.00 H new ATOM 0 HB2 PRO C 4 130.385 -1.692 -11.542 1.00 0.00 H new ATOM 0 HB3 PRO C 4 129.071 -1.232 -12.606 1.00 0.00 H new ATOM 0 HG2 PRO C 4 130.907 0.502 -11.202 1.00 0.00 H new ATOM 0 HG3 PRO C 4 129.640 0.959 -12.323 1.00 0.00 H new ATOM 0 HD2 PRO C 4 129.608 1.036 -9.360 1.00 0.00 H new ATOM 0 HD3 PRO C 4 128.568 1.880 -10.491 1.00 0.00 H new ATOM 930 N GLU C 5 129.031 -3.475 -9.401 1.00 0.00 N ATOM 931 CA GLU C 5 129.527 -4.354 -8.351 1.00 0.00 C ATOM 932 C GLU C 5 131.021 -4.186 -8.067 1.00 0.00 C ATOM 933 O GLU C 5 131.828 -3.971 -8.971 1.00 0.00 O ATOM 934 CB GLU C 5 129.212 -5.814 -8.700 1.00 0.00 C ATOM 935 CG GLU C 5 129.949 -6.842 -7.844 1.00 0.00 C ATOM 936 CD GLU C 5 129.024 -7.663 -6.959 1.00 0.00 C ATOM 937 OE1 GLU C 5 128.268 -8.497 -7.503 1.00 0.00 O ATOM 938 OE2 GLU C 5 129.052 -7.469 -5.715 1.00 0.00 O ATOM 0 H GLU C 5 128.597 -3.971 -10.179 1.00 0.00 H new ATOM 0 HA GLU C 5 129.010 -4.068 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU C 5 128.139 -5.976 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU C 5 129.461 -5.986 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU C 5 130.507 -7.514 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU C 5 130.677 -6.327 -7.217 1.00 0.00 H new ATOM 945 N ALA C 6 131.360 -4.307 -6.781 1.00 0.00 N ATOM 946 CA ALA C 6 132.737 -4.196 -6.309 1.00 0.00 C ATOM 947 C ALA C 6 133.475 -5.534 -6.415 1.00 0.00 C ATOM 948 O ALA C 6 132.852 -6.590 -6.538 1.00 0.00 O ATOM 949 CB ALA C 6 132.758 -3.712 -4.868 1.00 0.00 C ATOM 0 H ALA C 6 130.684 -4.485 -6.038 1.00 0.00 H new ATOM 0 HA ALA C 6 133.249 -3.474 -6.945 1.00 0.00 H new ATOM 0 HB1 ALA C 6 133.790 -3.633 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA C 6 132.279 -2.735 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA C 6 132.220 -4.421 -4.238 1.00 0.00 H new ATOM 955 N PRO C 7 134.820 -5.499 -6.368 1.00 0.00 N ATOM 956 CA PRO C 7 135.658 -6.708 -6.456 1.00 0.00 C ATOM 957 C PRO C 7 135.329 -7.748 -5.383 1.00 0.00 C ATOM 958 O PRO C 7 134.808 -7.413 -4.319 1.00 0.00 O ATOM 959 CB PRO C 7 137.082 -6.182 -6.240 1.00 0.00 C ATOM 960 CG PRO C 7 137.024 -4.724 -6.546 1.00 0.00 C ATOM 961 CD PRO C 7 135.627 -4.274 -6.223 1.00 0.00 C ATOM 0 HA PRO C 7 135.505 -7.218 -7.407 1.00 0.00 H new ATOM 0 HB2 PRO C 7 137.412 -6.354 -5.215 1.00 0.00 H new ATOM 0 HB3 PRO C 7 137.791 -6.691 -6.893 1.00 0.00 H new ATOM 0 HG2 PRO C 7 137.755 -4.174 -5.953 1.00 0.00 H new ATOM 0 HG3 PRO C 7 137.259 -4.538 -7.594 1.00 0.00 H new ATOM 0 HD2 PRO C 7 135.561 -3.869 -5.213 1.00 0.00 H new ATOM 0 HD3 PRO C 7 135.292 -3.491 -6.903 1.00 0.00 H new ATOM 969 N ARG C 8 135.636 -9.015 -5.675 1.00 0.00 N ATOM 970 CA ARG C 8 135.374 -10.111 -4.741 1.00 0.00 C ATOM 971 C ARG C 8 136.662 -10.752 -4.256 1.00 0.00 C ATOM 972 O ARG C 8 137.057 -11.826 -4.712 1.00 0.00 O ATOM 973 CB ARG C 8 134.515 -11.163 -5.389 1.00 0.00 C ATOM 974 CG ARG C 8 133.037 -10.865 -5.319 1.00 0.00 C ATOM 975 CD ARG C 8 132.643 -9.845 -6.360 1.00 0.00 C ATOM 976 NE ARG C 8 133.181 -10.175 -7.678 1.00 0.00 N ATOM 977 CZ ARG C 8 132.779 -11.216 -8.403 1.00 0.00 C ATOM 978 NH1 ARG C 8 131.814 -12.012 -7.955 1.00 0.00 N ATOM 979 NH2 ARG C 8 133.345 -11.462 -9.578 1.00 0.00 N ATOM 0 H ARG C 8 136.067 -9.306 -6.552 1.00 0.00 H new ATOM 0 HA ARG C 8 134.852 -9.685 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG C 8 134.807 -11.265 -6.434 1.00 0.00 H new ATOM 0 HB3 ARG C 8 134.707 -12.123 -4.909 1.00 0.00 H new ATOM 0 HG2 ARG C 8 132.469 -11.783 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG C 8 132.783 -10.494 -4.326 1.00 0.00 H new ATOM 0 HD2 ARG C 8 131.556 -9.785 -6.416 1.00 0.00 H new ATOM 0 HD3 ARG C 8 133.001 -8.861 -6.058 1.00 0.00 H new ATOM 0 HE ARG C 8 133.907 -9.572 -8.065 1.00 0.00 H new ATOM 0 HH11 ARG C 8 131.378 -11.826 -7.052 1.00 0.00 H new ATOM 0 HH12 ARG C 8 131.509 -12.809 -8.514 1.00 0.00 H new ATOM 0 HH21 ARG C 8 134.087 -10.854 -9.924 1.00 0.00 H new ATOM 0 HH22 ARG C 8 133.038 -12.260 -10.135 1.00 0.00 H new ATOM 993 N ASP C 9 137.291 -10.088 -3.311 1.00 0.00 N ATOM 994 CA ASP C 9 138.525 -10.572 -2.715 1.00 0.00 C ATOM 995 C ASP C 9 138.384 -10.657 -1.197 1.00 0.00 C ATOM 996 O ASP C 9 139.371 -10.821 -0.479 1.00 0.00 O ATOM 997 CB ASP C 9 139.697 -9.651 -3.053 1.00 0.00 C ATOM 998 CG ASP C 9 139.370 -8.182 -2.857 1.00 0.00 C ATOM 999 OD1 ASP C 9 138.280 -7.877 -2.327 1.00 0.00 O ATOM 1000 OD2 ASP C 9 140.206 -7.334 -3.238 1.00 0.00 O ATOM 0 H ASP C 9 136.965 -9.199 -2.932 1.00 0.00 H new ATOM 0 HA ASP C 9 138.722 -11.563 -3.124 1.00 0.00 H new ATOM 0 HB2 ASP C 9 140.551 -9.914 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP C 9 139.996 -9.816 -4.088 1.00 0.00 H new ATOM 1005 N GLY C 10 137.154 -10.525 -0.714 1.00 0.00 N ATOM 1006 CA GLY C 10 136.903 -10.571 0.715 1.00 0.00 C ATOM 1007 C GLY C 10 137.226 -9.258 1.391 1.00 0.00 C ATOM 1008 O GLY C 10 137.238 -9.173 2.620 1.00 0.00 O ATOM 0 H GLY C 10 136.323 -10.386 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY C 10 135.857 -10.821 0.891 1.00 0.00 H new ATOM 0 HA3 GLY C 10 137.501 -11.365 1.162 1.00 0.00 H new ATOM 1012 N GLN C 11 137.466 -8.222 0.592 1.00 0.00 N ATOM 1013 CA GLN C 11 137.762 -6.911 1.135 1.00 0.00 C ATOM 1014 C GLN C 11 136.531 -6.048 1.038 1.00 0.00 C ATOM 1015 O GLN C 11 135.702 -6.223 0.146 1.00 0.00 O ATOM 1016 CB GLN C 11 138.888 -6.229 0.389 1.00 0.00 C ATOM 1017 CG GLN C 11 140.246 -6.247 1.089 1.00 0.00 C ATOM 1018 CD GLN C 11 140.375 -5.249 2.236 1.00 0.00 C ATOM 1019 OE1 GLN C 11 141.016 -4.213 2.104 1.00 0.00 O ATOM 1020 NE2 GLN C 11 139.790 -5.557 3.371 1.00 0.00 N ATOM 0 H GLN C 11 137.460 -8.270 -0.427 1.00 0.00 H new ATOM 0 HA GLN C 11 138.070 -7.044 2.172 1.00 0.00 H new ATOM 0 HB2 GLN C 11 138.995 -6.704 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN C 11 138.605 -5.192 0.209 1.00 0.00 H new ATOM 0 HG2 GLN C 11 140.430 -7.250 1.473 1.00 0.00 H new ATOM 0 HG3 GLN C 11 141.023 -6.040 0.354 1.00 0.00 H new ATOM 0 HE21 GLN C 11 139.262 -6.426 3.453 1.00 0.00 H new ATOM 0 HE22 GLN C 11 139.863 -4.927 4.170 1.00 0.00 H new ATOM 1029 N ALA C 12 136.425 -5.119 1.953 1.00 0.00 N ATOM 1030 CA ALA C 12 135.297 -4.212 2.000 1.00 0.00 C ATOM 1031 C ALA C 12 135.584 -2.946 1.245 1.00 0.00 C ATOM 1032 O ALA C 12 136.667 -2.368 1.342 1.00 0.00 O ATOM 1033 CB ALA C 12 134.911 -3.907 3.442 1.00 0.00 C ATOM 0 H ALA C 12 137.115 -4.966 2.688 1.00 0.00 H new ATOM 0 HA ALA C 12 134.453 -4.703 1.516 1.00 0.00 H new ATOM 0 HB1 ALA C 12 134.062 -3.224 3.455 1.00 0.00 H new ATOM 0 HB2 ALA C 12 134.640 -4.833 3.950 1.00 0.00 H new ATOM 0 HB3 ALA C 12 135.755 -3.446 3.955 1.00 0.00 H new ATOM 1039 N TYR C 13 134.596 -2.526 0.485 1.00 0.00 N ATOM 1040 CA TYR C 13 134.705 -1.332 -0.309 1.00 0.00 C ATOM 1041 C TYR C 13 133.687 -0.316 0.124 1.00 0.00 C ATOM 1042 O TYR C 13 132.641 -0.649 0.683 1.00 0.00 O ATOM 1043 CB TYR C 13 134.489 -1.638 -1.766 1.00 0.00 C ATOM 1044 CG TYR C 13 135.692 -2.291 -2.360 1.00 0.00 C ATOM 1045 CD1 TYR C 13 136.846 -1.570 -2.560 1.00 0.00 C ATOM 1046 CD2 TYR C 13 135.690 -3.626 -2.668 1.00 0.00 C ATOM 1047 CE1 TYR C 13 137.976 -2.164 -3.058 1.00 0.00 C ATOM 1048 CE2 TYR C 13 136.819 -4.242 -3.165 1.00 0.00 C ATOM 1049 CZ TYR C 13 137.965 -3.505 -3.358 1.00 0.00 C ATOM 1050 OH TYR C 13 139.099 -4.109 -3.855 1.00 0.00 O ATOM 0 H TYR C 13 133.699 -3.004 0.403 1.00 0.00 H new ATOM 0 HA TYR C 13 135.709 -0.932 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR C 13 133.623 -2.291 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR C 13 134.267 -0.717 -2.306 1.00 0.00 H new ATOM 0 HD1 TYR C 13 136.862 -0.517 -2.320 1.00 0.00 H new ATOM 0 HD2 TYR C 13 134.790 -4.205 -2.519 1.00 0.00 H new ATOM 0 HE1 TYR C 13 138.871 -1.581 -3.214 1.00 0.00 H new ATOM 0 HE2 TYR C 13 136.804 -5.296 -3.401 1.00 0.00 H new ATOM 0 HH TYR C 13 138.921 -5.060 -4.013 1.00 0.00 H new ATOM 1060 N VAL C 14 134.002 0.920 -0.148 1.00 0.00 N ATOM 1061 CA VAL C 14 133.145 2.020 0.183 1.00 0.00 C ATOM 1062 C VAL C 14 132.885 2.766 -1.101 1.00 0.00 C ATOM 1063 O VAL C 14 133.790 2.939 -1.918 1.00 0.00 O ATOM 1064 CB VAL C 14 133.817 2.865 1.275 1.00 0.00 C ATOM 1065 CG1 VAL C 14 132.852 3.824 1.952 1.00 0.00 C ATOM 1066 CG2 VAL C 14 134.418 1.891 2.285 1.00 0.00 C ATOM 0 H VAL C 14 134.869 1.193 -0.610 1.00 0.00 H new ATOM 0 HA VAL C 14 132.185 1.711 0.596 1.00 0.00 H new ATOM 0 HB VAL C 14 134.585 3.495 0.827 1.00 0.00 H new ATOM 0 HG11 VAL C 14 133.382 4.395 2.715 1.00 0.00 H new ATOM 0 HG12 VAL C 14 132.437 4.507 1.210 1.00 0.00 H new ATOM 0 HG13 VAL C 14 132.044 3.259 2.417 1.00 0.00 H new ATOM 0 HG21 VAL C 14 134.908 2.450 3.082 1.00 0.00 H new ATOM 0 HG22 VAL C 14 133.627 1.272 2.709 1.00 0.00 H new ATOM 0 HG23 VAL C 14 135.149 1.254 1.786 1.00 0.00 H new ATOM 1076 N ARG C 15 131.638 3.122 -1.332 1.00 0.00 N ATOM 1077 CA ARG C 15 131.287 3.745 -2.585 1.00 0.00 C ATOM 1078 C ARG C 15 131.632 5.232 -2.578 1.00 0.00 C ATOM 1079 O ARG C 15 131.001 6.045 -1.902 1.00 0.00 O ATOM 1080 CB ARG C 15 129.803 3.461 -2.894 1.00 0.00 C ATOM 1081 CG ARG C 15 129.469 2.969 -4.313 1.00 0.00 C ATOM 1082 CD ARG C 15 130.604 3.116 -5.315 1.00 0.00 C ATOM 1083 NE ARG C 15 130.157 3.545 -6.648 1.00 0.00 N ATOM 1084 CZ ARG C 15 130.467 2.895 -7.781 1.00 0.00 C ATOM 1085 NH1 ARG C 15 131.174 1.774 -7.735 1.00 0.00 N ATOM 1086 NH2 ARG C 15 130.085 3.350 -8.962 1.00 0.00 N ATOM 0 H ARG C 15 130.865 2.993 -0.679 1.00 0.00 H new ATOM 0 HA ARG C 15 131.879 3.315 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG C 15 129.445 2.716 -2.184 1.00 0.00 H new ATOM 0 HB3 ARG C 15 129.237 4.374 -2.710 1.00 0.00 H new ATOM 0 HG2 ARG C 15 129.181 1.919 -4.261 1.00 0.00 H new ATOM 0 HG3 ARG C 15 128.603 3.520 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG C 15 131.325 3.838 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG C 15 131.125 2.163 -5.404 1.00 0.00 H new ATOM 0 HE ARG C 15 129.579 4.383 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG C 15 131.484 1.403 -6.837 1.00 0.00 H new ATOM 0 HH12 ARG C 15 131.408 1.283 -8.598 1.00 0.00 H new ATOM 0 HH21 ARG C 15 129.543 4.212 -9.026 1.00 0.00 H new ATOM 0 HH22 ARG C 15 130.332 2.839 -9.810 1.00 0.00 H new ATOM 1100 N LYS C 16 132.670 5.552 -3.368 1.00 0.00 N ATOM 1101 CA LYS C 16 133.173 6.914 -3.515 1.00 0.00 C ATOM 1102 C LYS C 16 133.466 7.263 -4.966 1.00 0.00 C ATOM 1103 O LYS C 16 134.298 6.617 -5.597 1.00 0.00 O ATOM 1104 CB LYS C 16 134.448 7.096 -2.684 1.00 0.00 C ATOM 1105 CG LYS C 16 135.556 7.882 -3.377 1.00 0.00 C ATOM 1106 CD LYS C 16 136.788 7.982 -2.497 1.00 0.00 C ATOM 1107 CE LYS C 16 136.820 9.280 -1.722 1.00 0.00 C ATOM 1108 NZ LYS C 16 137.193 9.080 -0.298 1.00 0.00 N ATOM 0 H LYS C 16 133.181 4.865 -3.922 1.00 0.00 H new ATOM 0 HA LYS C 16 132.392 7.586 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS C 16 134.190 7.602 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS C 16 134.833 6.112 -2.415 1.00 0.00 H new ATOM 0 HG2 LYS C 16 135.816 7.397 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS C 16 135.198 8.882 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS C 16 136.807 7.143 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS C 16 137.683 7.905 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS C 16 137.531 9.961 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS C 16 135.841 9.756 -1.775 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 137.267 10.004 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 136.465 8.507 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 138.108 8.589 -0.245 1.00 0.00 H new ATOM 1122 N ASP C 17 132.852 8.315 -5.480 1.00 0.00 N ATOM 1123 CA ASP C 17 133.148 8.760 -6.834 1.00 0.00 C ATOM 1124 C ASP C 17 132.964 7.652 -7.864 1.00 0.00 C ATOM 1125 O ASP C 17 133.804 7.466 -8.745 1.00 0.00 O ATOM 1126 CB ASP C 17 134.586 9.302 -6.887 1.00 0.00 C ATOM 1127 CG ASP C 17 134.627 10.767 -7.269 1.00 0.00 C ATOM 1128 OD1 ASP C 17 133.792 11.535 -6.746 1.00 0.00 O ATOM 1129 OD2 ASP C 17 135.489 11.144 -8.090 1.00 0.00 O ATOM 0 H ASP C 17 132.153 8.872 -4.988 1.00 0.00 H new ATOM 0 HA ASP C 17 132.440 9.548 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP C 17 135.060 9.168 -5.915 1.00 0.00 H new ATOM 0 HB3 ASP C 17 135.165 8.723 -7.607 1.00 0.00 H new ATOM 1134 N GLY C 18 131.859 6.932 -7.770 1.00 0.00 N ATOM 1135 CA GLY C 18 131.575 5.872 -8.711 1.00 0.00 C ATOM 1136 C GLY C 18 132.541 4.698 -8.651 1.00 0.00 C ATOM 1137 O GLY C 18 132.542 3.867 -9.560 1.00 0.00 O ATOM 0 H GLY C 18 131.147 7.065 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY C 18 130.565 5.504 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY C 18 131.588 6.286 -9.719 1.00 0.00 H new ATOM 1141 N GLU C 19 133.363 4.602 -7.602 1.00 0.00 N ATOM 1142 CA GLU C 19 134.301 3.491 -7.502 1.00 0.00 C ATOM 1143 C GLU C 19 134.271 2.866 -6.121 1.00 0.00 C ATOM 1144 O GLU C 19 133.807 3.477 -5.157 1.00 0.00 O ATOM 1145 CB GLU C 19 135.727 3.951 -7.821 1.00 0.00 C ATOM 1146 CG GLU C 19 135.901 5.459 -7.915 1.00 0.00 C ATOM 1147 CD GLU C 19 137.356 5.875 -8.032 1.00 0.00 C ATOM 1148 OE1 GLU C 19 138.074 5.299 -8.876 1.00 0.00 O ATOM 1149 OE2 GLU C 19 137.776 6.778 -7.278 1.00 0.00 O ATOM 0 H GLU C 19 133.396 5.266 -6.828 1.00 0.00 H new ATOM 0 HA GLU C 19 133.993 2.742 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU C 19 136.398 3.568 -7.052 1.00 0.00 H new ATOM 0 HB3 GLU C 19 136.036 3.503 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU C 19 135.351 5.831 -8.779 1.00 0.00 H new ATOM 0 HG3 GLU C 19 135.464 5.927 -7.033 1.00 0.00 H new ATOM 1156 N TRP C 20 134.779 1.644 -6.033 1.00 0.00 N ATOM 1157 CA TRP C 20 134.825 0.932 -4.777 1.00 0.00 C ATOM 1158 C TRP C 20 136.160 1.163 -4.096 1.00 0.00 C ATOM 1159 O TRP C 20 137.213 0.800 -4.620 1.00 0.00 O ATOM 1160 CB TRP C 20 134.547 -0.555 -4.981 1.00 0.00 C ATOM 1161 CG TRP C 20 133.118 -0.741 -5.335 1.00 0.00 C ATOM 1162 CD1 TRP C 20 132.573 -1.196 -6.504 1.00 0.00 C ATOM 1163 CD2 TRP C 20 132.034 -0.399 -4.489 1.00 0.00 C ATOM 1164 NE1 TRP C 20 131.197 -1.158 -6.415 1.00 0.00 N ATOM 1165 CE2 TRP C 20 130.854 -0.677 -5.183 1.00 0.00 C ATOM 1166 CE3 TRP C 20 131.956 0.112 -3.194 1.00 0.00 C ATOM 1167 CZ2 TRP C 20 129.611 -0.456 -4.628 1.00 0.00 C ATOM 1168 CZ3 TRP C 20 130.718 0.328 -2.646 1.00 0.00 C ATOM 1169 CH2 TRP C 20 129.559 0.043 -3.363 1.00 0.00 C ATOM 0 H TRP C 20 135.165 1.129 -6.824 1.00 0.00 H new ATOM 0 HA TRP C 20 134.041 1.319 -4.126 1.00 0.00 H new ATOM 0 HB2 TRP C 20 135.184 -0.951 -5.772 1.00 0.00 H new ATOM 0 HB3 TRP C 20 134.784 -1.109 -4.073 1.00 0.00 H new ATOM 0 HD1 TRP C 20 133.133 -1.533 -7.364 1.00 0.00 H new ATOM 0 HE1 TRP C 20 130.545 -1.441 -7.146 1.00 0.00 H new ATOM 0 HE3 TRP C 20 132.853 0.333 -2.634 1.00 0.00 H new ATOM 0 HZ2 TRP C 20 128.708 -0.672 -5.180 1.00 0.00 H new ATOM 0 HZ3 TRP C 20 130.641 0.725 -1.644 1.00 0.00 H new ATOM 0 HH2 TRP C 20 128.597 0.222 -2.905 1.00 0.00 H new ATOM 1180 N VAL C 21 136.106 1.801 -2.938 1.00 0.00 N ATOM 1181 CA VAL C 21 137.306 2.126 -2.187 1.00 0.00 C ATOM 1182 C VAL C 21 137.426 1.274 -0.959 1.00 0.00 C ATOM 1183 O VAL C 21 136.498 1.140 -0.166 1.00 0.00 O ATOM 1184 CB VAL C 21 137.336 3.620 -1.796 1.00 0.00 C ATOM 1185 CG1 VAL C 21 136.800 4.442 -2.940 1.00 0.00 C ATOM 1186 CG2 VAL C 21 136.526 3.890 -0.534 1.00 0.00 C ATOM 0 H VAL C 21 135.238 2.105 -2.496 1.00 0.00 H new ATOM 0 HA VAL C 21 138.157 1.921 -2.837 1.00 0.00 H new ATOM 0 HB VAL C 21 138.369 3.899 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL C 21 136.819 5.498 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL C 21 137.418 4.283 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL C 21 135.775 4.141 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL C 21 136.572 4.952 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL C 21 135.488 3.600 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL C 21 136.937 3.311 0.293 1.00 0.00 H new ATOM 1196 N LEU C 22 138.590 0.694 -0.823 1.00 0.00 N ATOM 1197 CA LEU C 22 138.875 -0.162 0.288 1.00 0.00 C ATOM 1198 C LEU C 22 138.541 0.504 1.605 1.00 0.00 C ATOM 1199 O LEU C 22 139.044 1.580 1.926 1.00 0.00 O ATOM 1200 CB LEU C 22 140.321 -0.573 0.243 1.00 0.00 C ATOM 1201 CG LEU C 22 140.540 -2.019 -0.194 1.00 0.00 C ATOM 1202 CD1 LEU C 22 141.887 -2.521 0.250 1.00 0.00 C ATOM 1203 CD2 LEU C 22 139.471 -2.932 0.363 1.00 0.00 C ATOM 0 H LEU C 22 139.362 0.804 -1.480 1.00 0.00 H new ATOM 0 HA LEU C 22 138.247 -1.050 0.214 1.00 0.00 H new ATOM 0 HB2 LEU C 22 140.855 0.087 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU C 22 140.760 -0.432 1.231 1.00 0.00 H new ATOM 0 HG LEU C 22 140.489 -2.030 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU C 22 142.016 -3.553 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU C 22 142.669 -1.902 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU C 22 141.953 -2.472 1.337 1.00 0.00 H new ATOM 0 HD21 LEU C 22 139.657 -3.954 0.033 1.00 0.00 H new ATOM 0 HD22 LEU C 22 139.491 -2.893 1.452 1.00 0.00 H new ATOM 0 HD23 LEU C 22 138.493 -2.608 0.006 1.00 0.00 H new ATOM 1215 N LEU C 23 137.692 -0.161 2.363 1.00 0.00 N ATOM 1216 CA LEU C 23 137.270 0.328 3.656 1.00 0.00 C ATOM 1217 C LEU C 23 138.451 0.484 4.589 1.00 0.00 C ATOM 1218 O LEU C 23 138.547 1.456 5.336 1.00 0.00 O ATOM 1219 CB LEU C 23 136.284 -0.641 4.264 1.00 0.00 C ATOM 1220 CG LEU C 23 135.925 -0.361 5.729 1.00 0.00 C ATOM 1221 CD1 LEU C 23 134.876 0.727 5.849 1.00 0.00 C ATOM 1222 CD2 LEU C 23 135.459 -1.628 6.413 1.00 0.00 C ATOM 0 H LEU C 23 137.277 -1.054 2.098 1.00 0.00 H new ATOM 0 HA LEU C 23 136.803 1.303 3.517 1.00 0.00 H new ATOM 0 HB2 LEU C 23 135.369 -0.626 3.671 1.00 0.00 H new ATOM 0 HB3 LEU C 23 136.694 -1.648 4.191 1.00 0.00 H new ATOM 0 HG LEU C 23 136.827 -0.005 6.228 1.00 0.00 H new ATOM 0 HD11 LEU C 23 134.647 0.898 6.901 1.00 0.00 H new ATOM 0 HD12 LEU C 23 135.255 1.648 5.406 1.00 0.00 H new ATOM 0 HD13 LEU C 23 133.971 0.419 5.326 1.00 0.00 H new ATOM 0 HD21 LEU C 23 135.209 -1.410 7.451 1.00 0.00 H new ATOM 0 HD22 LEU C 23 134.578 -2.015 5.901 1.00 0.00 H new ATOM 0 HD23 LEU C 23 136.254 -2.373 6.380 1.00 0.00 H new ATOM 1234 N SER C 24 139.335 -0.499 4.568 1.00 0.00 N ATOM 1235 CA SER C 24 140.496 -0.489 5.448 1.00 0.00 C ATOM 1236 C SER C 24 141.388 0.703 5.141 1.00 0.00 C ATOM 1237 O SER C 24 142.145 1.150 6.003 1.00 0.00 O ATOM 1238 CB SER C 24 141.295 -1.786 5.297 1.00 0.00 C ATOM 1239 OG SER C 24 141.652 -2.317 6.562 1.00 0.00 O ATOM 0 H SER C 24 139.274 -1.312 3.955 1.00 0.00 H new ATOM 0 HA SER C 24 140.142 -0.410 6.476 1.00 0.00 H new ATOM 0 HB2 SER C 24 140.705 -2.518 4.746 1.00 0.00 H new ATOM 0 HB3 SER C 24 142.195 -1.596 4.712 1.00 0.00 H new ATOM 0 HG SER C 24 142.160 -3.146 6.437 1.00 0.00 H new ATOM 1245 N THR C 25 141.254 1.268 3.944 1.00 0.00 N ATOM 1246 CA THR C 25 142.022 2.458 3.620 1.00 0.00 C ATOM 1247 C THR C 25 141.498 3.606 4.479 1.00 0.00 C ATOM 1248 O THR C 25 142.164 4.624 4.671 1.00 0.00 O ATOM 1249 CB THR C 25 141.909 2.813 2.133 1.00 0.00 C ATOM 1250 OG1 THR C 25 142.554 1.834 1.338 1.00 0.00 O ATOM 1251 CG2 THR C 25 142.500 4.159 1.762 1.00 0.00 C ATOM 0 H THR C 25 140.639 0.931 3.204 1.00 0.00 H new ATOM 0 HA THR C 25 143.077 2.274 3.826 1.00 0.00 H new ATOM 0 HB THR C 25 140.837 2.854 1.942 1.00 0.00 H new ATOM 0 HG1 THR C 25 142.471 2.075 0.392 1.00 0.00 H new ATOM 0 HG21 THR C 25 142.376 4.328 0.692 1.00 0.00 H new ATOM 0 HG22 THR C 25 141.988 4.946 2.316 1.00 0.00 H new ATOM 0 HG23 THR C 25 143.561 4.172 2.011 1.00 0.00 H new ATOM 1259 N PHE C 26 140.282 3.405 4.997 1.00 0.00 N ATOM 1260 CA PHE C 26 139.613 4.374 5.845 1.00 0.00 C ATOM 1261 C PHE C 26 139.726 3.987 7.313 1.00 0.00 C ATOM 1262 O PHE C 26 139.397 4.768 8.192 1.00 0.00 O ATOM 1263 CB PHE C 26 138.145 4.491 5.429 1.00 0.00 C ATOM 1264 CG PHE C 26 137.982 5.173 4.084 1.00 0.00 C ATOM 1265 CD1 PHE C 26 138.250 4.498 2.894 1.00 0.00 C ATOM 1266 CD2 PHE C 26 137.578 6.496 4.013 1.00 0.00 C ATOM 1267 CE1 PHE C 26 138.116 5.139 1.664 1.00 0.00 C ATOM 1268 CE2 PHE C 26 137.441 7.136 2.793 1.00 0.00 C ATOM 1269 CZ PHE C 26 137.711 6.458 1.618 1.00 0.00 C ATOM 0 H PHE C 26 139.738 2.558 4.834 1.00 0.00 H new ATOM 0 HA PHE C 26 140.098 5.342 5.721 1.00 0.00 H new ATOM 0 HB2 PHE C 26 137.701 3.496 5.386 1.00 0.00 H new ATOM 0 HB3 PHE C 26 137.598 5.052 6.187 1.00 0.00 H new ATOM 0 HD1 PHE C 26 138.565 3.466 2.926 1.00 0.00 H new ATOM 0 HD2 PHE C 26 137.367 7.037 4.924 1.00 0.00 H new ATOM 0 HE1 PHE C 26 138.328 4.605 0.749 1.00 0.00 H new ATOM 0 HE2 PHE C 26 137.122 8.167 2.759 1.00 0.00 H new ATOM 0 HZ PHE C 26 137.605 6.959 0.667 1.00 0.00 H new ATOM 1279 N LEU C 27 140.225 2.796 7.593 1.00 0.00 N ATOM 1280 CA LEU C 27 140.376 2.354 8.968 1.00 0.00 C ATOM 1281 C LEU C 27 141.838 2.404 9.404 1.00 0.00 C ATOM 1282 O LEU C 27 142.572 1.437 9.113 1.00 0.00 O ATOM 1283 CB LEU C 27 139.834 0.933 9.106 1.00 0.00 C ATOM 1284 CG LEU C 27 138.859 0.705 10.260 1.00 0.00 C ATOM 1285 CD1 LEU C 27 137.675 1.655 10.207 1.00 0.00 C ATOM 1286 CD2 LEU C 27 138.359 -0.714 10.242 1.00 0.00 C ATOM 1287 OXT LEU C 27 142.235 3.408 10.033 1.00 0.00 O ATOM 0 H LEU C 27 140.531 2.121 6.892 1.00 0.00 H new ATOM 0 HA LEU C 27 139.811 3.026 9.614 1.00 0.00 H new ATOM 0 HB2 LEU C 27 139.336 0.662 8.175 1.00 0.00 H new ATOM 0 HB3 LEU C 27 140.677 0.252 9.227 1.00 0.00 H new ATOM 0 HG LEU C 27 139.404 0.899 11.184 1.00 0.00 H new ATOM 0 HD11 LEU C 27 137.010 1.455 11.047 1.00 0.00 H new ATOM 0 HD12 LEU C 27 138.031 2.684 10.263 1.00 0.00 H new ATOM 0 HD13 LEU C 27 137.133 1.509 9.273 1.00 0.00 H new ATOM 0 HD21 LEU C 27 137.665 -0.866 11.069 1.00 0.00 H new ATOM 0 HD22 LEU C 27 137.848 -0.908 9.299 1.00 0.00 H new ATOM 0 HD23 LEU C 27 139.201 -1.398 10.345 1.00 0.00 H new