USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=16 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 -47:sc= 0.613 USER MOD Single : A 11 GLN : amide:sc= -2.55! C(o=-2.6!,f=-6.3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= -0.821! (180deg=-1.44!) 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+ -174:sc=-0.00129 (180deg=-0.047) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= -4.17! C(o=-4.2!,f=-11!) USER MOD Single : B 13 TYR OH : rot 144:sc= 0.451 USER MOD Single : B 16 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.351) 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= 0 X(o=0,f=0) USER MOD Single : C 13 TYR OH : rot 180:sc= -0.149 USER MOD Single : C 16 LYS NZ :NH3+ 173:sc= 0.0414 (180deg=-0.109) 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 2 126.879 -4.807 -11.654 1.00 0.00 N ATOM 11 CA TYR A 2 125.997 -4.162 -10.686 1.00 0.00 C ATOM 12 C TYR A 2 125.865 -5.015 -9.407 1.00 0.00 C ATOM 13 O TYR A 2 125.872 -6.243 -9.485 1.00 0.00 O ATOM 14 CB TYR A 2 124.641 -3.957 -11.340 1.00 0.00 C ATOM 15 CG TYR A 2 124.371 -2.569 -11.874 1.00 0.00 C ATOM 16 CD1 TYR A 2 125.347 -1.590 -11.872 1.00 0.00 C ATOM 17 CD2 TYR A 2 123.129 -2.252 -12.398 1.00 0.00 C ATOM 18 CE1 TYR A 2 125.098 -0.327 -12.375 1.00 0.00 C ATOM 19 CE2 TYR A 2 122.868 -0.997 -12.909 1.00 0.00 C ATOM 20 CZ TYR A 2 123.856 -0.036 -12.896 1.00 0.00 C ATOM 21 OH TYR A 2 123.602 1.217 -13.405 1.00 0.00 O ATOM 0 HA TYR A 2 126.415 -3.200 -10.390 1.00 0.00 H new ATOM 0 HB2 TYR A 2 124.544 -4.667 -12.161 1.00 0.00 H new ATOM 0 HB3 TYR A 2 123.867 -4.203 -10.613 1.00 0.00 H new ATOM 0 HD1 TYR A 2 126.323 -1.817 -11.469 1.00 0.00 H new ATOM 0 HD2 TYR A 2 122.351 -3.001 -12.407 1.00 0.00 H new ATOM 0 HE1 TYR A 2 125.871 0.427 -12.360 1.00 0.00 H new ATOM 0 HE2 TYR A 2 121.894 -0.769 -13.317 1.00 0.00 H new ATOM 0 HH TYR A 2 123.928 1.897 -12.779 1.00 0.00 H new ATOM 31 N ILE A 3 125.723 -4.378 -8.237 1.00 0.00 N ATOM 32 CA ILE A 3 125.556 -5.124 -6.973 1.00 0.00 C ATOM 33 C ILE A 3 124.125 -5.096 -6.468 1.00 0.00 C ATOM 34 O ILE A 3 123.355 -4.193 -6.795 1.00 0.00 O ATOM 35 CB ILE A 3 126.395 -4.603 -5.803 1.00 0.00 C ATOM 36 CG1 ILE A 3 126.570 -3.100 -5.866 1.00 0.00 C ATOM 37 CG2 ILE A 3 127.725 -5.298 -5.716 1.00 0.00 C ATOM 38 CD1 ILE A 3 127.392 -2.539 -4.729 1.00 0.00 C ATOM 0 H ILE A 3 125.720 -3.363 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 3 125.883 -6.126 -7.253 1.00 0.00 H new ATOM 0 HB ILE A 3 125.844 -4.834 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 3 127.045 -2.837 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 3 125.588 -2.628 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 3 128.289 -4.899 -4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 3 127.568 -6.367 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 3 128.283 -5.132 -6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 3 127.476 -1.458 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 3 126.907 -2.771 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 3 128.387 -2.983 -4.746 1.00 0.00 H new ATOM 50 N PRO A 4 123.769 -6.065 -5.606 1.00 0.00 N ATOM 51 CA PRO A 4 122.459 -6.132 -5.001 1.00 0.00 C ATOM 52 C PRO A 4 122.385 -5.308 -3.711 1.00 0.00 C ATOM 53 O PRO A 4 123.308 -5.294 -2.906 1.00 0.00 O ATOM 54 CB PRO A 4 122.261 -7.624 -4.743 1.00 0.00 C ATOM 55 CG PRO A 4 123.645 -8.214 -4.683 1.00 0.00 C ATOM 56 CD PRO A 4 124.630 -7.145 -5.115 1.00 0.00 C ATOM 0 HA PRO A 4 121.678 -5.711 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 4 121.723 -7.792 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 4 121.673 -8.084 -5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 4 123.871 -8.554 -3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 4 123.717 -9.084 -5.335 1.00 0.00 H new ATOM 0 HD2 PRO A 4 125.254 -6.815 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 4 125.301 -7.508 -5.893 1.00 0.00 H new ATOM 64 N GLU A 5 121.267 -4.592 -3.581 1.00 0.00 N ATOM 65 CA GLU A 5 120.978 -3.685 -2.465 1.00 0.00 C ATOM 66 C GLU A 5 121.146 -4.307 -1.075 1.00 0.00 C ATOM 67 O GLU A 5 120.810 -5.468 -0.845 1.00 0.00 O ATOM 68 CB GLU A 5 119.546 -3.150 -2.591 1.00 0.00 C ATOM 69 CG GLU A 5 119.109 -2.294 -1.406 1.00 0.00 C ATOM 70 CD GLU A 5 118.484 -0.978 -1.820 1.00 0.00 C ATOM 71 OE1 GLU A 5 117.579 -0.990 -2.682 1.00 0.00 O ATOM 72 OE2 GLU A 5 118.904 0.067 -1.277 1.00 0.00 O ATOM 0 H GLU A 5 120.514 -4.627 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 5 121.718 -2.888 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 5 119.466 -2.560 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 5 118.860 -3.991 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 5 118.394 -2.855 -0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 5 119.973 -2.095 -0.771 1.00 0.00 H new ATOM 79 N ALA A 6 121.635 -3.480 -0.147 1.00 0.00 N ATOM 80 CA ALA A 6 121.823 -3.873 1.248 1.00 0.00 C ATOM 81 C ALA A 6 120.538 -3.643 2.060 1.00 0.00 C ATOM 82 O ALA A 6 119.718 -2.792 1.712 1.00 0.00 O ATOM 83 CB ALA A 6 122.976 -3.089 1.859 1.00 0.00 C ATOM 0 H ALA A 6 121.911 -2.518 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 6 122.059 -4.937 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 6 123.109 -3.388 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 6 123.891 -3.294 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 6 122.755 -2.023 1.814 1.00 0.00 H new ATOM 89 N PRO A 7 120.353 -4.404 3.157 1.00 0.00 N ATOM 90 CA PRO A 7 119.171 -4.296 4.038 1.00 0.00 C ATOM 91 C PRO A 7 118.879 -2.872 4.513 1.00 0.00 C ATOM 92 O PRO A 7 119.767 -2.019 4.542 1.00 0.00 O ATOM 93 CB PRO A 7 119.557 -5.160 5.239 1.00 0.00 C ATOM 94 CG PRO A 7 120.516 -6.157 4.694 1.00 0.00 C ATOM 95 CD PRO A 7 121.295 -5.437 3.631 1.00 0.00 C ATOM 0 HA PRO A 7 118.267 -4.604 3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 7 120.013 -4.561 6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 7 118.684 -5.647 5.674 1.00 0.00 H new ATOM 0 HG2 PRO A 7 121.176 -6.532 5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 7 119.992 -7.018 4.279 1.00 0.00 H new ATOM 0 HD2 PRO A 7 122.208 -4.995 4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 7 121.593 -6.109 2.826 1.00 0.00 H new ATOM 103 N ARG A 8 117.621 -2.632 4.894 1.00 0.00 N ATOM 104 CA ARG A 8 117.187 -1.323 5.382 1.00 0.00 C ATOM 105 C ARG A 8 116.831 -1.373 6.864 1.00 0.00 C ATOM 106 O ARG A 8 115.706 -1.061 7.256 1.00 0.00 O ATOM 107 CB ARG A 8 115.988 -0.842 4.591 1.00 0.00 C ATOM 108 CG ARG A 8 116.337 -0.116 3.302 1.00 0.00 C ATOM 109 CD ARG A 8 115.934 -0.909 2.067 1.00 0.00 C ATOM 110 NE ARG A 8 114.729 -1.715 2.274 1.00 0.00 N ATOM 111 CZ ARG A 8 114.737 -3.035 2.465 1.00 0.00 C ATOM 112 NH1 ARG A 8 115.881 -3.707 2.495 1.00 0.00 N ATOM 113 NH2 ARG A 8 113.594 -3.684 2.636 1.00 0.00 N ATOM 0 H ARG A 8 116.881 -3.334 4.873 1.00 0.00 H new ATOM 0 HA ARG A 8 118.016 -0.628 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 8 115.358 -1.699 4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 8 115.396 -0.177 5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 8 115.839 0.854 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 8 117.410 0.076 3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 8 115.766 -0.221 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 8 116.757 -1.563 1.777 1.00 0.00 H new ATOM 0 HE ARG A 8 113.828 -1.237 2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 8 116.765 -3.214 2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 8 115.876 -4.716 2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 8 112.711 -3.174 2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 8 113.598 -4.693 2.782 1.00 0.00 H new ATOM 127 N ASP A 9 117.797 -1.752 7.681 1.00 0.00 N ATOM 128 CA ASP A 9 117.598 -1.831 9.125 1.00 0.00 C ATOM 129 C ASP A 9 118.291 -0.672 9.837 1.00 0.00 C ATOM 130 O ASP A 9 118.452 -0.692 11.057 1.00 0.00 O ATOM 131 CB ASP A 9 118.153 -3.140 9.686 1.00 0.00 C ATOM 132 CG ASP A 9 119.630 -3.314 9.394 1.00 0.00 C ATOM 133 OD1 ASP A 9 120.089 -2.823 8.341 1.00 0.00 O ATOM 134 OD2 ASP A 9 120.328 -3.941 10.218 1.00 0.00 O ATOM 0 H ASP A 9 118.733 -2.012 7.371 1.00 0.00 H new ATOM 0 HA ASP A 9 116.523 -1.782 9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 9 117.993 -3.167 10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 9 117.600 -3.978 9.261 1.00 0.00 H new ATOM 139 N GLY A 10 118.698 0.332 9.074 1.00 0.00 N ATOM 140 CA GLY A 10 119.366 1.480 9.655 1.00 0.00 C ATOM 141 C GLY A 10 120.827 1.221 9.948 1.00 0.00 C ATOM 142 O GLY A 10 121.464 2.004 10.651 1.00 0.00 O ATOM 0 H GLY A 10 118.578 0.373 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 10 119.281 2.327 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 10 118.859 1.761 10.578 1.00 0.00 H new ATOM 146 N GLN A 11 121.373 0.134 9.404 1.00 0.00 N ATOM 147 CA GLN A 11 122.780 -0.174 9.619 1.00 0.00 C ATOM 148 C GLN A 11 123.561 0.112 8.363 1.00 0.00 C ATOM 149 O GLN A 11 123.007 0.140 7.266 1.00 0.00 O ATOM 150 CB GLN A 11 123.006 -1.620 10.025 1.00 0.00 C ATOM 151 CG GLN A 11 123.371 -1.801 11.487 1.00 0.00 C ATOM 152 CD GLN A 11 122.952 -3.157 12.016 1.00 0.00 C ATOM 153 OE1 GLN A 11 123.165 -4.182 11.369 1.00 0.00 O ATOM 154 NE2 GLN A 11 122.338 -3.169 13.191 1.00 0.00 N ATOM 0 H GLN A 11 120.870 -0.536 8.822 1.00 0.00 H new ATOM 0 HA GLN A 11 123.123 0.458 10.438 1.00 0.00 H new ATOM 0 HB2 GLN A 11 122.102 -2.192 9.813 1.00 0.00 H new ATOM 0 HB3 GLN A 11 123.801 -2.040 9.408 1.00 0.00 H new ATOM 0 HG2 GLN A 11 124.448 -1.682 11.609 1.00 0.00 H new ATOM 0 HG3 GLN A 11 122.895 -1.019 12.078 1.00 0.00 H new ATOM 0 HE21 GLN A 11 122.182 -2.295 13.694 1.00 0.00 H new ATOM 0 HE22 GLN A 11 122.022 -4.052 13.592 1.00 0.00 H new ATOM 163 N ALA A 12 124.842 0.339 8.530 1.00 0.00 N ATOM 164 CA ALA A 12 125.715 0.645 7.421 1.00 0.00 C ATOM 165 C ALA A 12 126.471 -0.568 6.946 1.00 0.00 C ATOM 166 O ALA A 12 127.008 -1.344 7.737 1.00 0.00 O ATOM 167 CB ALA A 12 126.649 1.790 7.786 1.00 0.00 C ATOM 0 H ALA A 12 125.308 0.317 9.437 1.00 0.00 H new ATOM 0 HA ALA A 12 125.096 0.966 6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 12 127.302 2.011 6.941 1.00 0.00 H new ATOM 0 HB2 ALA A 12 126.061 2.675 8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 12 127.254 1.506 8.647 1.00 0.00 H new ATOM 173 N TYR A 13 126.489 -0.728 5.636 1.00 0.00 N ATOM 174 CA TYR A 13 127.152 -1.849 5.014 1.00 0.00 C ATOM 175 C TYR A 13 128.246 -1.405 4.075 1.00 0.00 C ATOM 176 O TYR A 13 128.209 -0.334 3.473 1.00 0.00 O ATOM 177 CB TYR A 13 126.169 -2.688 4.232 1.00 0.00 C ATOM 178 CG TYR A 13 125.230 -3.483 5.095 1.00 0.00 C ATOM 179 CD1 TYR A 13 125.647 -4.625 5.748 1.00 0.00 C ATOM 180 CD2 TYR A 13 123.928 -3.079 5.255 1.00 0.00 C ATOM 181 CE1 TYR A 13 124.782 -5.347 6.549 1.00 0.00 C ATOM 182 CE2 TYR A 13 123.051 -3.787 6.050 1.00 0.00 C ATOM 183 CZ TYR A 13 123.483 -4.921 6.698 1.00 0.00 C ATOM 184 OH TYR A 13 122.613 -5.634 7.493 1.00 0.00 O ATOM 0 H TYR A 13 126.046 -0.086 4.979 1.00 0.00 H new ATOM 0 HA TYR A 13 127.590 -2.436 5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 13 125.586 -2.036 3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 13 126.721 -3.371 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 13 126.667 -4.961 5.631 1.00 0.00 H new ATOM 0 HD2 TYR A 13 123.584 -2.189 4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 13 125.124 -6.239 7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 13 122.030 -3.453 6.163 1.00 0.00 H new ATOM 0 HH TYR A 13 121.736 -5.197 7.491 1.00 0.00 H new ATOM 194 N VAL A 14 129.199 -2.274 3.958 1.00 0.00 N ATOM 195 CA VAL A 14 130.355 -2.101 3.122 1.00 0.00 C ATOM 196 C VAL A 14 130.248 -3.121 2.028 1.00 0.00 C ATOM 197 O VAL A 14 129.529 -4.109 2.183 1.00 0.00 O ATOM 198 CB VAL A 14 131.597 -2.343 3.990 1.00 0.00 C ATOM 199 CG1 VAL A 14 132.762 -1.432 3.652 1.00 0.00 C ATOM 200 CG2 VAL A 14 131.185 -2.177 5.451 1.00 0.00 C ATOM 0 H VAL A 14 129.197 -3.161 4.461 1.00 0.00 H new ATOM 0 HA VAL A 14 130.424 -1.104 2.687 1.00 0.00 H new ATOM 0 HB VAL A 14 131.959 -3.352 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 14 133.604 -1.660 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 14 133.056 -1.587 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 14 132.464 -0.393 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 14 132.049 -2.344 6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 14 130.804 -1.168 5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 14 130.407 -2.901 5.694 1.00 0.00 H new ATOM 210 N ARG A 15 130.905 -2.902 0.914 1.00 0.00 N ATOM 211 CA ARG A 15 130.773 -3.847 -0.158 1.00 0.00 C ATOM 212 C ARG A 15 132.031 -4.697 -0.241 1.00 0.00 C ATOM 213 O ARG A 15 133.089 -4.269 -0.700 1.00 0.00 O ATOM 214 CB ARG A 15 130.475 -3.083 -1.462 1.00 0.00 C ATOM 215 CG ARG A 15 129.335 -3.597 -2.331 1.00 0.00 C ATOM 216 CD ARG A 15 129.137 -5.088 -2.277 1.00 0.00 C ATOM 217 NE ARG A 15 129.700 -5.743 -3.461 1.00 0.00 N ATOM 218 CZ ARG A 15 130.848 -6.405 -3.482 1.00 0.00 C ATOM 219 NH1 ARG A 15 131.480 -6.673 -2.359 1.00 0.00 N ATOM 220 NH2 ARG A 15 131.347 -6.840 -4.626 1.00 0.00 N ATOM 0 H ARG A 15 131.515 -2.105 0.732 1.00 0.00 H new ATOM 0 HA ARG A 15 129.941 -4.529 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 15 130.260 -2.046 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 15 131.383 -3.079 -2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 15 128.411 -3.108 -2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 15 129.521 -3.304 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 15 129.609 -5.487 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 15 128.073 -5.313 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 15 129.171 -5.685 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 15 131.087 -6.371 -1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 15 132.363 -7.183 -2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 15 130.848 -6.667 -5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 15 132.231 -7.349 -4.636 1.00 0.00 H new ATOM 234 N LYS A 16 131.851 -5.942 0.216 1.00 0.00 N ATOM 235 CA LYS A 16 132.894 -6.955 0.229 1.00 0.00 C ATOM 236 C LYS A 16 132.349 -8.315 -0.214 1.00 0.00 C ATOM 237 O LYS A 16 131.381 -8.807 0.365 1.00 0.00 O ATOM 238 CB LYS A 16 133.507 -7.043 1.633 1.00 0.00 C ATOM 239 CG LYS A 16 133.280 -8.363 2.357 1.00 0.00 C ATOM 240 CD LYS A 16 134.122 -8.436 3.627 1.00 0.00 C ATOM 241 CE LYS A 16 135.376 -9.243 3.410 1.00 0.00 C ATOM 242 NZ LYS A 16 135.107 -10.707 3.349 1.00 0.00 N ATOM 0 H LYS A 16 130.961 -6.271 0.591 1.00 0.00 H new ATOM 0 HA LYS A 16 133.670 -6.668 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 16 134.580 -6.869 1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 16 133.097 -6.237 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 16 132.225 -8.468 2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 16 133.535 -9.193 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 16 134.387 -7.429 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 16 133.535 -8.882 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 16 135.853 -8.925 2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 16 136.080 -9.039 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 135.848 -11.173 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 135.104 -11.100 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 134.181 -10.872 2.905 1.00 0.00 H new ATOM 256 N ASP A 17 132.993 -8.954 -1.184 1.00 0.00 N ATOM 257 CA ASP A 17 132.585 -10.291 -1.623 1.00 0.00 C ATOM 258 C ASP A 17 131.131 -10.345 -2.086 1.00 0.00 C ATOM 259 O ASP A 17 130.397 -11.271 -1.739 1.00 0.00 O ATOM 260 CB ASP A 17 132.811 -11.321 -0.500 1.00 0.00 C ATOM 261 CG ASP A 17 133.481 -10.768 0.721 1.00 0.00 C ATOM 262 OD1 ASP A 17 134.505 -10.071 0.565 1.00 0.00 O ATOM 263 OD2 ASP A 17 132.994 -11.045 1.840 1.00 0.00 O ATOM 0 H ASP A 17 133.797 -8.573 -1.682 1.00 0.00 H new ATOM 0 HA ASP A 17 133.209 -10.538 -2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 17 131.848 -11.743 -0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 17 133.414 -12.140 -0.891 1.00 0.00 H new ATOM 268 N GLY A 18 130.719 -9.377 -2.890 1.00 0.00 N ATOM 269 CA GLY A 18 129.366 -9.361 -3.406 1.00 0.00 C ATOM 270 C GLY A 18 128.305 -9.282 -2.328 1.00 0.00 C ATOM 271 O GLY A 18 127.138 -9.573 -2.592 1.00 0.00 O ATOM 0 H GLY A 18 131.301 -8.598 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 18 129.253 -8.510 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 18 129.202 -10.260 -4.000 1.00 0.00 H new ATOM 275 N GLU A 19 128.690 -8.920 -1.106 1.00 0.00 N ATOM 276 CA GLU A 19 127.728 -8.856 -0.027 1.00 0.00 C ATOM 277 C GLU A 19 127.865 -7.580 0.771 1.00 0.00 C ATOM 278 O GLU A 19 128.890 -6.901 0.717 1.00 0.00 O ATOM 279 CB GLU A 19 127.938 -10.044 0.899 1.00 0.00 C ATOM 280 CG GLU A 19 127.539 -11.375 0.284 1.00 0.00 C ATOM 281 CD GLU A 19 127.035 -12.367 1.314 1.00 0.00 C ATOM 282 OE1 GLU A 19 127.867 -12.924 2.059 1.00 0.00 O ATOM 283 OE2 GLU A 19 125.807 -12.587 1.374 1.00 0.00 O ATOM 0 H GLU A 19 129.645 -8.672 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 19 126.730 -8.877 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 19 128.988 -10.087 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.363 -9.888 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 19 126.763 -11.207 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 19 128.396 -11.802 -0.237 1.00 0.00 H new ATOM 290 N TRP A 20 126.827 -7.275 1.530 1.00 0.00 N ATOM 291 CA TRP A 20 126.825 -6.099 2.365 1.00 0.00 C ATOM 292 C TRP A 20 127.214 -6.470 3.781 1.00 0.00 C ATOM 293 O TRP A 20 126.464 -7.143 4.489 1.00 0.00 O ATOM 294 CB TRP A 20 125.467 -5.393 2.321 1.00 0.00 C ATOM 295 CG TRP A 20 125.236 -4.802 0.974 1.00 0.00 C ATOM 296 CD1 TRP A 20 124.287 -5.134 0.046 1.00 0.00 C ATOM 297 CD2 TRP A 20 126.029 -3.781 0.388 1.00 0.00 C ATOM 298 NE1 TRP A 20 124.457 -4.362 -1.084 1.00 0.00 N ATOM 299 CE2 TRP A 20 125.514 -3.531 -0.889 1.00 0.00 C ATOM 300 CE3 TRP A 20 127.130 -3.046 0.827 1.00 0.00 C ATOM 301 CZ2 TRP A 20 126.059 -2.588 -1.730 1.00 0.00 C ATOM 302 CZ3 TRP A 20 127.671 -2.109 -0.015 1.00 0.00 C ATOM 303 CH2 TRP A 20 127.129 -1.888 -1.281 1.00 0.00 C ATOM 0 H TRP A 20 125.974 -7.832 1.581 1.00 0.00 H new ATOM 0 HA TRP A 20 127.563 -5.395 1.981 1.00 0.00 H new ATOM 0 HB2 TRP A 20 124.673 -6.102 2.556 1.00 0.00 H new ATOM 0 HB3 TRP A 20 125.431 -4.611 3.080 1.00 0.00 H new ATOM 0 HD1 TRP A 20 123.522 -5.885 0.178 1.00 0.00 H new ATOM 0 HE1 TRP A 20 123.884 -4.407 -1.927 1.00 0.00 H new ATOM 0 HE3 TRP A 20 127.547 -3.211 1.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 125.648 -2.412 -2.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 128.528 -1.535 0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 20 127.574 -1.140 -1.920 1.00 0.00 H new ATOM 314 N VAL A 21 128.396 -6.027 4.190 1.00 0.00 N ATOM 315 CA VAL A 21 128.881 -6.316 5.528 1.00 0.00 C ATOM 316 C VAL A 21 128.788 -5.087 6.386 1.00 0.00 C ATOM 317 O VAL A 21 129.022 -3.975 5.931 1.00 0.00 O ATOM 318 CB VAL A 21 130.349 -6.778 5.577 1.00 0.00 C ATOM 319 CG1 VAL A 21 130.694 -7.280 6.974 1.00 0.00 C ATOM 320 CG2 VAL A 21 130.680 -7.852 4.552 1.00 0.00 C ATOM 0 H VAL A 21 129.031 -5.470 3.617 1.00 0.00 H new ATOM 0 HA VAL A 21 128.250 -7.128 5.888 1.00 0.00 H new ATOM 0 HB VAL A 21 130.953 -5.906 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 21 131.734 -7.604 6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 21 130.548 -6.476 7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 21 130.047 -8.119 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 21 131.730 -8.130 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 21 130.056 -8.728 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 21 130.492 -7.468 3.549 1.00 0.00 H new ATOM 330 N LEU A 22 128.440 -5.301 7.629 1.00 0.00 N ATOM 331 CA LEU A 22 128.307 -4.221 8.571 1.00 0.00 C ATOM 332 C LEU A 22 129.585 -3.401 8.685 1.00 0.00 C ATOM 333 O LEU A 22 130.659 -3.927 8.976 1.00 0.00 O ATOM 334 CB LEU A 22 127.899 -4.761 9.915 1.00 0.00 C ATOM 335 CG LEU A 22 126.409 -4.652 10.208 1.00 0.00 C ATOM 336 CD1 LEU A 22 126.149 -4.940 11.659 1.00 0.00 C ATOM 337 CD2 LEU A 22 125.878 -3.272 9.860 1.00 0.00 C ATOM 0 H LEU A 22 128.242 -6.224 8.015 1.00 0.00 H new ATOM 0 HA LEU A 22 127.531 -3.550 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 22 128.194 -5.808 9.977 1.00 0.00 H new ATOM 0 HB3 LEU A 22 128.450 -4.228 10.690 1.00 0.00 H new ATOM 0 HG LEU A 22 125.891 -5.385 9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 22 125.081 -4.860 11.860 1.00 0.00 H new ATOM 0 HD12 LEU A 22 126.488 -5.948 11.896 1.00 0.00 H new ATOM 0 HD13 LEU A 22 126.689 -4.221 12.275 1.00 0.00 H new ATOM 0 HD21 LEU A 22 124.812 -3.226 10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 22 126.403 -2.521 10.450 1.00 0.00 H new ATOM 0 HD23 LEU A 22 126.038 -3.077 8.799 1.00 0.00 H new ATOM 349 N LEU A 23 129.446 -2.107 8.464 1.00 0.00 N ATOM 350 CA LEU A 23 130.560 -1.173 8.545 1.00 0.00 C ATOM 351 C LEU A 23 131.199 -1.198 9.920 1.00 0.00 C ATOM 352 O LEU A 23 132.419 -1.109 10.059 1.00 0.00 O ATOM 353 CB LEU A 23 130.035 0.227 8.275 1.00 0.00 C ATOM 354 CG LEU A 23 131.041 1.381 8.375 1.00 0.00 C ATOM 355 CD1 LEU A 23 132.423 0.989 7.889 1.00 0.00 C ATOM 356 CD2 LEU A 23 130.536 2.564 7.581 1.00 0.00 C ATOM 0 H LEU A 23 128.556 -1.670 8.223 1.00 0.00 H new ATOM 0 HA LEU A 23 131.312 -1.460 7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 23 129.604 0.240 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 23 129.223 0.425 8.974 1.00 0.00 H new ATOM 0 HG LEU A 23 131.132 1.645 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 23 133.096 1.841 7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 23 132.800 0.162 8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 23 132.368 0.681 6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.252 3.383 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.417 2.277 6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.574 2.886 7.980 1.00 0.00 H new ATOM 368 N SER A 24 130.364 -1.291 10.939 1.00 0.00 N ATOM 369 CA SER A 24 130.840 -1.292 12.315 1.00 0.00 C ATOM 370 C SER A 24 131.708 -2.509 12.596 1.00 0.00 C ATOM 371 O SER A 24 132.503 -2.498 13.537 1.00 0.00 O ATOM 372 CB SER A 24 129.660 -1.263 13.292 1.00 0.00 C ATOM 373 OG SER A 24 128.885 -2.449 13.206 1.00 0.00 O ATOM 0 H SER A 24 129.351 -1.367 10.842 1.00 0.00 H new ATOM 0 HA SER A 24 131.444 -0.396 12.456 1.00 0.00 H new ATOM 0 HB2 SER A 24 130.032 -1.143 14.310 1.00 0.00 H new ATOM 0 HB3 SER A 24 129.030 -0.399 13.078 1.00 0.00 H new ATOM 0 HG SER A 24 128.141 -2.401 13.842 1.00 0.00 H new ATOM 379 N THR A 25 131.603 -3.541 11.764 1.00 0.00 N ATOM 380 CA THR A 25 132.447 -4.710 11.952 1.00 0.00 C ATOM 381 C THR A 25 133.895 -4.335 11.625 1.00 0.00 C ATOM 382 O THR A 25 134.840 -5.026 12.004 1.00 0.00 O ATOM 383 CB THR A 25 131.985 -5.875 11.068 1.00 0.00 C ATOM 384 OG1 THR A 25 130.781 -6.431 11.568 1.00 0.00 O ATOM 385 CG2 THR A 25 132.988 -7.002 10.948 1.00 0.00 C ATOM 0 H THR A 25 130.959 -3.591 10.974 1.00 0.00 H new ATOM 0 HA THR A 25 132.375 -5.036 12.989 1.00 0.00 H new ATOM 0 HB THR A 25 131.852 -5.436 10.079 1.00 0.00 H new ATOM 0 HG1 THR A 25 130.499 -7.172 10.992 1.00 0.00 H new ATOM 0 HG21 THR A 25 132.582 -7.784 10.306 1.00 0.00 H new ATOM 0 HG22 THR A 25 133.913 -6.621 10.515 1.00 0.00 H new ATOM 0 HG23 THR A 25 133.192 -7.414 11.936 1.00 0.00 H new ATOM 393 N PHE A 26 134.035 -3.225 10.898 1.00 0.00 N ATOM 394 CA PHE A 26 135.331 -2.707 10.471 1.00 0.00 C ATOM 395 C PHE A 26 135.831 -1.609 11.402 1.00 0.00 C ATOM 396 O PHE A 26 136.937 -1.105 11.237 1.00 0.00 O ATOM 397 CB PHE A 26 135.210 -2.181 9.042 1.00 0.00 C ATOM 398 CG PHE A 26 135.009 -3.276 8.021 1.00 0.00 C ATOM 399 CD1 PHE A 26 133.737 -3.750 7.735 1.00 0.00 C ATOM 400 CD2 PHE A 26 136.088 -3.829 7.345 1.00 0.00 C ATOM 401 CE1 PHE A 26 133.544 -4.752 6.799 1.00 0.00 C ATOM 402 CE2 PHE A 26 135.903 -4.833 6.407 1.00 0.00 C ATOM 403 CZ PHE A 26 134.632 -5.299 6.131 1.00 0.00 C ATOM 0 H PHE A 26 133.246 -2.658 10.588 1.00 0.00 H new ATOM 0 HA PHE A 26 136.060 -3.517 10.508 1.00 0.00 H new ATOM 0 HB2 PHE A 26 134.374 -1.484 8.988 1.00 0.00 H new ATOM 0 HB3 PHE A 26 136.110 -1.619 8.791 1.00 0.00 H new ATOM 0 HD1 PHE A 26 132.885 -3.331 8.250 1.00 0.00 H new ATOM 0 HD2 PHE A 26 137.086 -3.472 7.553 1.00 0.00 H new ATOM 0 HE1 PHE A 26 132.547 -5.109 6.588 1.00 0.00 H new ATOM 0 HE2 PHE A 26 136.754 -5.252 5.891 1.00 0.00 H new ATOM 0 HZ PHE A 26 134.486 -6.082 5.402 1.00 0.00 H new ATOM 413 N LEU A 27 135.025 -1.242 12.387 1.00 0.00 N ATOM 414 CA LEU A 27 135.417 -0.200 13.324 1.00 0.00 C ATOM 415 C LEU A 27 135.541 -0.744 14.744 1.00 0.00 C ATOM 416 O LEU A 27 134.821 -1.710 15.072 1.00 0.00 O ATOM 417 CB LEU A 27 134.399 0.932 13.272 1.00 0.00 C ATOM 418 CG LEU A 27 133.874 1.236 11.869 1.00 0.00 C ATOM 419 CD1 LEU A 27 132.672 2.141 11.926 1.00 0.00 C ATOM 420 CD2 LEU A 27 134.946 1.888 11.023 1.00 0.00 C ATOM 421 OXT LEU A 27 136.357 -0.198 15.516 1.00 0.00 O ATOM 0 H LEU A 27 134.104 -1.646 12.558 1.00 0.00 H new ATOM 0 HA LEU A 27 136.398 0.177 13.035 1.00 0.00 H new ATOM 0 HB2 LEU A 27 133.557 0.679 13.916 1.00 0.00 H new ATOM 0 HB3 LEU A 27 134.854 1.834 13.681 1.00 0.00 H new ATOM 0 HG LEU A 27 133.585 0.287 11.417 1.00 0.00 H new ATOM 0 HD11 LEU A 27 132.319 2.341 10.914 1.00 0.00 H new ATOM 0 HD12 LEU A 27 131.880 1.658 12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 27 132.946 3.080 12.407 1.00 0.00 H new ATOM 0 HD21 LEU A 27 134.549 2.095 10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 27 135.260 2.821 11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 27 135.802 1.218 10.940 1.00 0.00 H new ATOM 434 N GLY B 1 116.128 -5.189 -6.167 1.00 0.00 N ATOM 435 CA GLY B 1 117.193 -6.086 -5.647 1.00 0.00 C ATOM 436 C GLY B 1 118.545 -5.408 -5.567 1.00 0.00 C ATOM 437 O GLY B 1 119.321 -5.677 -4.652 1.00 0.00 O ATOM 0 H1 GLY B 1 115.208 -5.670 -6.105 1.00 0.00 H new ATOM 0 H2 GLY B 1 116.101 -4.317 -5.601 1.00 0.00 H new ATOM 0 H3 GLY B 1 116.328 -4.951 -7.159 1.00 0.00 H new ATOM 0 HA2 GLY B 1 116.911 -6.441 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY B 1 117.269 -6.963 -6.290 1.00 0.00 H new ATOM 443 N TYR B 2 118.835 -4.534 -6.529 1.00 0.00 N ATOM 444 CA TYR B 2 120.117 -3.824 -6.557 1.00 0.00 C ATOM 445 C TYR B 2 119.960 -2.359 -6.124 1.00 0.00 C ATOM 446 O TYR B 2 118.898 -1.762 -6.297 1.00 0.00 O ATOM 447 CB TYR B 2 120.765 -3.913 -7.947 1.00 0.00 C ATOM 448 CG TYR B 2 121.375 -5.267 -8.276 1.00 0.00 C ATOM 449 CD1 TYR B 2 120.859 -6.456 -7.767 1.00 0.00 C ATOM 450 CD2 TYR B 2 122.475 -5.345 -9.110 1.00 0.00 C ATOM 451 CE1 TYR B 2 121.430 -7.676 -8.082 1.00 0.00 C ATOM 452 CE2 TYR B 2 123.051 -6.559 -9.432 1.00 0.00 C ATOM 453 CZ TYR B 2 122.526 -7.721 -8.915 1.00 0.00 C ATOM 454 OH TYR B 2 123.099 -8.932 -9.229 1.00 0.00 O ATOM 0 H TYR B 2 118.205 -4.300 -7.296 1.00 0.00 H new ATOM 0 HA TYR B 2 120.776 -4.313 -5.840 1.00 0.00 H new ATOM 0 HB2 TYR B 2 120.013 -3.675 -8.700 1.00 0.00 H new ATOM 0 HB3 TYR B 2 121.542 -3.152 -8.021 1.00 0.00 H new ATOM 0 HD1 TYR B 2 119.998 -6.425 -7.115 1.00 0.00 H new ATOM 0 HD2 TYR B 2 122.893 -4.437 -9.519 1.00 0.00 H new ATOM 0 HE1 TYR B 2 121.018 -8.589 -7.677 1.00 0.00 H new ATOM 0 HE2 TYR B 2 123.909 -6.596 -10.086 1.00 0.00 H new ATOM 0 HH TYR B 2 123.861 -8.788 -9.828 1.00 0.00 H new ATOM 464 N ILE B 3 121.030 -1.789 -5.557 1.00 0.00 N ATOM 465 CA ILE B 3 121.022 -0.393 -5.096 1.00 0.00 C ATOM 466 C ILE B 3 121.437 0.579 -6.178 1.00 0.00 C ATOM 467 O ILE B 3 122.124 0.213 -7.131 1.00 0.00 O ATOM 468 CB ILE B 3 121.979 -0.103 -3.932 1.00 0.00 C ATOM 469 CG1 ILE B 3 123.326 -0.772 -4.131 1.00 0.00 C ATOM 470 CG2 ILE B 3 121.389 -0.485 -2.601 1.00 0.00 C ATOM 471 CD1 ILE B 3 124.302 -0.484 -3.014 1.00 0.00 C ATOM 0 H ILE B 3 121.915 -2.273 -5.406 1.00 0.00 H new ATOM 0 HA ILE B 3 119.986 -0.258 -4.786 1.00 0.00 H new ATOM 0 HB ILE B 3 122.135 0.976 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE B 3 123.182 -1.849 -4.210 1.00 0.00 H new ATOM 0 HG13 ILE B 3 123.755 -0.437 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE B 3 122.103 -0.261 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE B 3 120.472 0.080 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE B 3 121.164 -1.551 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE B 3 125.246 -0.991 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE B 3 124.474 0.590 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE B 3 123.891 -0.844 -2.070 1.00 0.00 H new ATOM 483 N PRO B 4 121.065 1.857 -6.011 1.00 0.00 N ATOM 484 CA PRO B 4 121.442 2.894 -6.934 1.00 0.00 C ATOM 485 C PRO B 4 122.806 3.496 -6.573 1.00 0.00 C ATOM 486 O PRO B 4 123.231 3.469 -5.418 1.00 0.00 O ATOM 487 CB PRO B 4 120.311 3.906 -6.801 1.00 0.00 C ATOM 488 CG PRO B 4 119.797 3.738 -5.400 1.00 0.00 C ATOM 489 CD PRO B 4 120.291 2.400 -4.885 1.00 0.00 C ATOM 0 HA PRO B 4 121.564 2.538 -7.957 1.00 0.00 H new ATOM 0 HB2 PRO B 4 120.669 4.922 -6.970 1.00 0.00 H new ATOM 0 HB3 PRO B 4 119.526 3.718 -7.534 1.00 0.00 H new ATOM 0 HG2 PRO B 4 120.152 4.548 -4.763 1.00 0.00 H new ATOM 0 HG3 PRO B 4 118.708 3.775 -5.385 1.00 0.00 H new ATOM 0 HD2 PRO B 4 120.908 2.517 -3.994 1.00 0.00 H new ATOM 0 HD3 PRO B 4 119.463 1.744 -4.615 1.00 0.00 H new ATOM 497 N GLU B 5 123.496 3.990 -7.597 1.00 0.00 N ATOM 498 CA GLU B 5 124.837 4.555 -7.461 1.00 0.00 C ATOM 499 C GLU B 5 124.904 5.712 -6.460 1.00 0.00 C ATOM 500 O GLU B 5 123.986 6.527 -6.358 1.00 0.00 O ATOM 501 CB GLU B 5 125.351 5.011 -8.832 1.00 0.00 C ATOM 502 CG GLU B 5 126.568 5.930 -8.776 1.00 0.00 C ATOM 503 CD GLU B 5 127.836 5.281 -9.302 1.00 0.00 C ATOM 504 OE1 GLU B 5 127.950 5.115 -10.535 1.00 0.00 O ATOM 505 OE2 GLU B 5 128.722 4.935 -8.476 1.00 0.00 O ATOM 0 H GLU B 5 123.138 4.010 -8.552 1.00 0.00 H new ATOM 0 HA GLU B 5 125.476 3.765 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU B 5 125.603 4.131 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU B 5 124.546 5.526 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU B 5 126.362 6.830 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU B 5 126.730 6.244 -7.745 1.00 0.00 H new ATOM 512 N ALA B 6 126.023 5.763 -5.734 1.00 0.00 N ATOM 513 CA ALA B 6 126.274 6.800 -4.736 1.00 0.00 C ATOM 514 C ALA B 6 126.834 8.074 -5.377 1.00 0.00 C ATOM 515 O ALA B 6 127.328 8.050 -6.504 1.00 0.00 O ATOM 516 CB ALA B 6 127.246 6.282 -3.686 1.00 0.00 C ATOM 0 H ALA B 6 126.780 5.085 -5.823 1.00 0.00 H new ATOM 0 HA ALA B 6 125.323 7.050 -4.266 1.00 0.00 H new ATOM 0 HB1 ALA B 6 127.429 7.060 -2.945 1.00 0.00 H new ATOM 0 HB2 ALA B 6 126.820 5.407 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA B 6 128.186 6.008 -4.164 1.00 0.00 H new ATOM 522 N PRO B 7 126.761 9.206 -4.650 1.00 0.00 N ATOM 523 CA PRO B 7 127.259 10.506 -5.129 1.00 0.00 C ATOM 524 C PRO B 7 128.738 10.476 -5.504 1.00 0.00 C ATOM 525 O PRO B 7 129.509 9.675 -4.974 1.00 0.00 O ATOM 526 CB PRO B 7 127.047 11.438 -3.931 1.00 0.00 C ATOM 527 CG PRO B 7 125.995 10.781 -3.109 1.00 0.00 C ATOM 528 CD PRO B 7 126.188 9.304 -3.296 1.00 0.00 C ATOM 0 HA PRO B 7 126.740 10.816 -6.036 1.00 0.00 H new ATOM 0 HB2 PRO B 7 127.969 11.565 -3.363 1.00 0.00 H new ATOM 0 HB3 PRO B 7 126.732 12.430 -4.254 1.00 0.00 H new ATOM 0 HG2 PRO B 7 126.091 11.057 -2.059 1.00 0.00 H new ATOM 0 HG3 PRO B 7 125.000 11.088 -3.430 1.00 0.00 H new ATOM 0 HD2 PRO B 7 126.859 8.888 -2.544 1.00 0.00 H new ATOM 0 HD3 PRO B 7 125.246 8.762 -3.218 1.00 0.00 H new ATOM 536 N ARG B 8 129.126 11.358 -6.423 1.00 0.00 N ATOM 537 CA ARG B 8 130.508 11.449 -6.880 1.00 0.00 C ATOM 538 C ARG B 8 131.149 12.759 -6.437 1.00 0.00 C ATOM 539 O ARG B 8 131.580 13.566 -7.260 1.00 0.00 O ATOM 540 CB ARG B 8 130.562 11.327 -8.382 1.00 0.00 C ATOM 541 CG ARG B 8 130.578 9.888 -8.866 1.00 0.00 C ATOM 542 CD ARG B 8 129.268 9.174 -8.569 1.00 0.00 C ATOM 543 NE ARG B 8 128.501 8.900 -9.782 1.00 0.00 N ATOM 544 CZ ARG B 8 127.209 9.192 -9.933 1.00 0.00 C ATOM 545 NH1 ARG B 8 126.528 9.778 -8.953 1.00 0.00 N ATOM 546 NH2 ARG B 8 126.593 8.897 -11.069 1.00 0.00 N ATOM 0 H ARG B 8 128.495 12.025 -6.868 1.00 0.00 H new ATOM 0 HA ARG B 8 131.070 10.630 -6.431 1.00 0.00 H new ATOM 0 HB2 ARG B 8 129.701 11.839 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG B 8 131.453 11.837 -8.750 1.00 0.00 H new ATOM 0 HG2 ARG B 8 130.767 9.868 -9.939 1.00 0.00 H new ATOM 0 HG3 ARG B 8 131.399 9.354 -8.388 1.00 0.00 H new ATOM 0 HD2 ARG B 8 129.476 8.237 -8.053 1.00 0.00 H new ATOM 0 HD3 ARG B 8 128.669 9.784 -7.893 1.00 0.00 H new ATOM 0 HE ARG B 8 128.985 8.457 -10.563 1.00 0.00 H new ATOM 0 HH11 ARG B 8 126.994 10.008 -8.075 1.00 0.00 H new ATOM 0 HH12 ARG B 8 125.540 9.997 -9.079 1.00 0.00 H new ATOM 0 HH21 ARG B 8 127.107 8.447 -11.826 1.00 0.00 H new ATOM 0 HH22 ARG B 8 125.605 9.120 -11.186 1.00 0.00 H new ATOM 560 N ASP B 9 131.205 12.959 -5.132 1.00 0.00 N ATOM 561 CA ASP B 9 131.788 14.168 -4.562 1.00 0.00 C ATOM 562 C ASP B 9 133.163 13.897 -3.958 1.00 0.00 C ATOM 563 O ASP B 9 133.684 14.716 -3.200 1.00 0.00 O ATOM 564 CB ASP B 9 130.888 14.738 -3.468 1.00 0.00 C ATOM 565 CG ASP B 9 130.495 13.699 -2.436 1.00 0.00 C ATOM 566 OD1 ASP B 9 131.098 12.606 -2.434 1.00 0.00 O ATOM 567 OD2 ASP B 9 129.583 13.979 -1.630 1.00 0.00 O ATOM 0 H ASP B 9 130.852 12.297 -4.441 1.00 0.00 H new ATOM 0 HA ASP B 9 131.888 14.884 -5.378 1.00 0.00 H new ATOM 0 HB2 ASP B 9 131.402 15.561 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP B 9 129.988 15.152 -3.922 1.00 0.00 H new ATOM 572 N GLY B 10 133.751 12.760 -4.297 1.00 0.00 N ATOM 573 CA GLY B 10 135.065 12.432 -3.772 1.00 0.00 C ATOM 574 C GLY B 10 135.015 11.896 -2.361 1.00 0.00 C ATOM 575 O GLY B 10 136.038 11.849 -1.680 1.00 0.00 O ATOM 0 H GLY B 10 133.348 12.061 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY B 10 135.536 11.693 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY B 10 135.693 13.323 -3.795 1.00 0.00 H new ATOM 579 N GLN B 11 133.829 11.511 -1.909 1.00 0.00 N ATOM 580 CA GLN B 11 133.669 10.985 -0.563 1.00 0.00 C ATOM 581 C GLN B 11 133.229 9.543 -0.606 1.00 0.00 C ATOM 582 O GLN B 11 132.600 9.097 -1.565 1.00 0.00 O ATOM 583 CB GLN B 11 132.640 11.786 0.217 1.00 0.00 C ATOM 584 CG GLN B 11 133.206 12.742 1.268 1.00 0.00 C ATOM 585 CD GLN B 11 134.214 12.094 2.225 1.00 0.00 C ATOM 586 OE1 GLN B 11 133.830 11.510 3.238 1.00 0.00 O ATOM 587 NE2 GLN B 11 135.504 12.208 1.947 1.00 0.00 N ATOM 0 H GLN B 11 132.967 11.553 -2.453 1.00 0.00 H new ATOM 0 HA GLN B 11 134.636 11.061 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN B 11 132.043 12.363 -0.489 1.00 0.00 H new ATOM 0 HB3 GLN B 11 131.963 11.090 0.712 1.00 0.00 H new ATOM 0 HG2 GLN B 11 133.688 13.578 0.761 1.00 0.00 H new ATOM 0 HG3 GLN B 11 132.382 13.154 1.850 1.00 0.00 H new ATOM 0 HE21 GLN B 11 135.803 12.696 1.102 1.00 0.00 H new ATOM 0 HE22 GLN B 11 136.199 11.808 2.578 1.00 0.00 H new ATOM 596 N ALA B 12 133.554 8.831 0.451 1.00 0.00 N ATOM 597 CA ALA B 12 133.207 7.430 0.592 1.00 0.00 C ATOM 598 C ALA B 12 131.916 7.259 1.329 1.00 0.00 C ATOM 599 O ALA B 12 131.675 7.872 2.367 1.00 0.00 O ATOM 600 CB ALA B 12 134.329 6.661 1.274 1.00 0.00 C ATOM 0 H ALA B 12 134.071 9.210 1.245 1.00 0.00 H new ATOM 0 HA ALA B 12 133.072 7.019 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA B 12 134.046 5.613 1.369 1.00 0.00 H new ATOM 0 HB2 ALA B 12 135.238 6.739 0.678 1.00 0.00 H new ATOM 0 HB3 ALA B 12 134.507 7.080 2.264 1.00 0.00 H new ATOM 606 N TYR B 13 131.091 6.403 0.780 1.00 0.00 N ATOM 607 CA TYR B 13 129.815 6.116 1.361 1.00 0.00 C ATOM 608 C TYR B 13 129.692 4.670 1.699 1.00 0.00 C ATOM 609 O TYR B 13 130.285 3.797 1.066 1.00 0.00 O ATOM 610 CB TYR B 13 128.680 6.440 0.417 1.00 0.00 C ATOM 611 CG TYR B 13 128.454 7.910 0.209 1.00 0.00 C ATOM 612 CD1 TYR B 13 127.783 8.672 1.145 1.00 0.00 C ATOM 613 CD2 TYR B 13 128.922 8.528 -0.920 1.00 0.00 C ATOM 614 CE1 TYR B 13 127.589 10.027 0.956 1.00 0.00 C ATOM 615 CE2 TYR B 13 128.738 9.880 -1.125 1.00 0.00 C ATOM 616 CZ TYR B 13 128.072 10.628 -0.181 1.00 0.00 C ATOM 617 OH TYR B 13 127.884 11.977 -0.379 1.00 0.00 O ATOM 0 H TYR B 13 131.289 5.890 -0.079 1.00 0.00 H new ATOM 0 HA TYR B 13 129.750 6.735 2.256 1.00 0.00 H new ATOM 0 HB2 TYR B 13 128.880 5.974 -0.548 1.00 0.00 H new ATOM 0 HB3 TYR B 13 127.763 5.994 0.802 1.00 0.00 H new ATOM 0 HD1 TYR B 13 127.403 8.201 2.040 1.00 0.00 H new ATOM 0 HD2 TYR B 13 129.445 7.946 -1.664 1.00 0.00 H new ATOM 0 HE1 TYR B 13 127.061 10.609 1.697 1.00 0.00 H new ATOM 0 HE2 TYR B 13 129.115 10.349 -2.022 1.00 0.00 H new ATOM 0 HH TYR B 13 128.672 12.356 -0.822 1.00 0.00 H new ATOM 627 N VAL B 14 128.858 4.437 2.658 1.00 0.00 N ATOM 628 CA VAL B 14 128.539 3.127 3.084 1.00 0.00 C ATOM 629 C VAL B 14 127.098 2.906 2.747 1.00 0.00 C ATOM 630 O VAL B 14 126.366 3.865 2.497 1.00 0.00 O ATOM 631 CB VAL B 14 128.844 2.932 4.563 1.00 0.00 C ATOM 632 CG1 VAL B 14 128.685 4.213 5.360 1.00 0.00 C ATOM 633 CG2 VAL B 14 128.026 1.815 5.152 1.00 0.00 C ATOM 0 H VAL B 14 128.373 5.171 3.174 1.00 0.00 H new ATOM 0 HA VAL B 14 129.153 2.383 2.576 1.00 0.00 H new ATOM 0 HB VAL B 14 129.894 2.647 4.630 1.00 0.00 H new ATOM 0 HG11 VAL B 14 128.914 4.020 6.408 1.00 0.00 H new ATOM 0 HG12 VAL B 14 129.368 4.970 4.973 1.00 0.00 H new ATOM 0 HG13 VAL B 14 127.659 4.571 5.273 1.00 0.00 H new ATOM 0 HG21 VAL B 14 128.269 1.704 6.209 1.00 0.00 H new ATOM 0 HG22 VAL B 14 126.966 2.045 5.046 1.00 0.00 H new ATOM 0 HG23 VAL B 14 128.249 0.885 4.629 1.00 0.00 H new ATOM 643 N ARG B 15 126.688 1.667 2.665 1.00 0.00 N ATOM 644 CA ARG B 15 125.329 1.416 2.264 1.00 0.00 C ATOM 645 C ARG B 15 124.493 1.049 3.482 1.00 0.00 C ATOM 646 O ARG B 15 124.616 -0.025 4.068 1.00 0.00 O ATOM 647 CB ARG B 15 125.317 0.341 1.153 1.00 0.00 C ATOM 648 CG ARG B 15 124.426 0.631 -0.055 1.00 0.00 C ATOM 649 CD ARG B 15 123.558 1.856 0.134 1.00 0.00 C ATOM 650 NE ARG B 15 122.417 1.900 -0.779 1.00 0.00 N ATOM 651 CZ ARG B 15 121.178 1.566 -0.441 1.00 0.00 C ATOM 652 NH1 ARG B 15 120.950 0.899 0.683 1.00 0.00 N ATOM 653 NH2 ARG B 15 120.181 1.864 -1.263 1.00 0.00 N ATOM 0 H ARG B 15 127.253 0.841 2.863 1.00 0.00 H new ATOM 0 HA ARG B 15 124.874 2.311 1.841 1.00 0.00 H new ATOM 0 HB2 ARG B 15 126.339 0.201 0.800 1.00 0.00 H new ATOM 0 HB3 ARG B 15 125.000 -0.604 1.594 1.00 0.00 H new ATOM 0 HG2 ARG B 15 125.052 0.768 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG B 15 123.790 -0.233 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG B 15 123.194 1.881 1.161 1.00 0.00 H new ATOM 0 HD3 ARG B 15 124.165 2.749 -0.011 1.00 0.00 H new ATOM 0 HE ARG B 15 122.584 2.207 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG B 15 121.728 0.642 1.290 1.00 0.00 H new ATOM 0 HH12 ARG B 15 119.997 0.644 0.940 1.00 0.00 H new ATOM 0 HH21 ARG B 15 120.371 2.344 -2.143 1.00 0.00 H new ATOM 0 HH22 ARG B 15 119.224 1.613 -1.016 1.00 0.00 H new ATOM 667 N LYS B 16 123.649 2.027 3.852 1.00 0.00 N ATOM 668 CA LYS B 16 122.766 1.934 5.009 1.00 0.00 C ATOM 669 C LYS B 16 121.358 2.456 4.732 1.00 0.00 C ATOM 670 O LYS B 16 121.194 3.574 4.247 1.00 0.00 O ATOM 671 CB LYS B 16 123.384 2.727 6.159 1.00 0.00 C ATOM 672 CG LYS B 16 122.404 3.174 7.231 1.00 0.00 C ATOM 673 CD LYS B 16 123.076 3.168 8.600 1.00 0.00 C ATOM 674 CE LYS B 16 122.584 4.300 9.481 1.00 0.00 C ATOM 675 NZ LYS B 16 123.531 5.449 9.498 1.00 0.00 N ATOM 0 H LYS B 16 123.566 2.909 3.347 1.00 0.00 H new ATOM 0 HA LYS B 16 122.666 0.879 5.262 1.00 0.00 H new ATOM 0 HB2 LYS B 16 124.157 2.117 6.626 1.00 0.00 H new ATOM 0 HB3 LYS B 16 123.877 3.608 5.749 1.00 0.00 H new ATOM 0 HG2 LYS B 16 122.037 4.175 7.003 1.00 0.00 H new ATOM 0 HG3 LYS B 16 121.538 2.512 7.241 1.00 0.00 H new ATOM 0 HD2 LYS B 16 122.884 2.215 9.094 1.00 0.00 H new ATOM 0 HD3 LYS B 16 124.156 3.250 8.474 1.00 0.00 H new ATOM 0 HE2 LYS B 16 121.611 4.638 9.126 1.00 0.00 H new ATOM 0 HE3 LYS B 16 122.442 3.932 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 122.998 6.337 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 124.185 5.348 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 124.072 5.466 8.610 1.00 0.00 H new ATOM 689 N ASP B 17 120.353 1.678 5.107 1.00 0.00 N ATOM 690 CA ASP B 17 118.948 2.072 4.994 1.00 0.00 C ATOM 691 C ASP B 17 118.563 2.680 3.646 1.00 0.00 C ATOM 692 O ASP B 17 117.832 3.671 3.594 1.00 0.00 O ATOM 693 CB ASP B 17 118.554 3.028 6.138 1.00 0.00 C ATOM 694 CG ASP B 17 119.648 3.978 6.580 1.00 0.00 C ATOM 695 OD1 ASP B 17 120.122 4.774 5.746 1.00 0.00 O ATOM 696 OD2 ASP B 17 120.000 3.952 7.777 1.00 0.00 O ATOM 0 H ASP B 17 120.486 0.747 5.502 1.00 0.00 H new ATOM 0 HA ASP B 17 118.386 1.142 5.072 1.00 0.00 H new ATOM 0 HB2 ASP B 17 117.690 3.613 5.822 1.00 0.00 H new ATOM 0 HB3 ASP B 17 118.240 2.434 6.996 1.00 0.00 H new ATOM 701 N GLY B 18 119.003 2.067 2.560 1.00 0.00 N ATOM 702 CA GLY B 18 118.633 2.552 1.241 1.00 0.00 C ATOM 703 C GLY B 18 119.383 3.792 0.786 1.00 0.00 C ATOM 704 O GLY B 18 119.172 4.259 -0.333 1.00 0.00 O ATOM 0 H GLY B 18 119.607 1.245 2.563 1.00 0.00 H new ATOM 0 HA2 GLY B 18 118.802 1.756 0.516 1.00 0.00 H new ATOM 0 HA3 GLY B 18 117.565 2.768 1.235 1.00 0.00 H new ATOM 708 N GLU B 19 120.236 4.349 1.638 1.00 0.00 N ATOM 709 CA GLU B 19 120.965 5.551 1.273 1.00 0.00 C ATOM 710 C GLU B 19 122.472 5.380 1.452 1.00 0.00 C ATOM 711 O GLU B 19 122.928 4.501 2.184 1.00 0.00 O ATOM 712 CB GLU B 19 120.491 6.721 2.139 1.00 0.00 C ATOM 713 CG GLU B 19 119.289 6.409 3.023 1.00 0.00 C ATOM 714 CD GLU B 19 119.101 7.430 4.128 1.00 0.00 C ATOM 715 OE1 GLU B 19 119.963 7.494 5.030 1.00 0.00 O ATOM 716 OE2 GLU B 19 118.091 8.163 4.092 1.00 0.00 O ATOM 0 H GLU B 19 120.436 3.992 2.572 1.00 0.00 H new ATOM 0 HA GLU B 19 120.767 5.749 0.219 1.00 0.00 H new ATOM 0 HB2 GLU B 19 121.317 7.045 2.772 1.00 0.00 H new ATOM 0 HB3 GLU B 19 120.240 7.559 1.489 1.00 0.00 H new ATOM 0 HG2 GLU B 19 118.389 6.374 2.408 1.00 0.00 H new ATOM 0 HG3 GLU B 19 119.413 5.420 3.464 1.00 0.00 H new ATOM 723 N TRP B 20 123.236 6.253 0.798 1.00 0.00 N ATOM 724 CA TRP B 20 124.687 6.241 0.896 1.00 0.00 C ATOM 725 C TRP B 20 125.123 7.201 1.984 1.00 0.00 C ATOM 726 O TRP B 20 124.936 8.413 1.872 1.00 0.00 O ATOM 727 CB TRP B 20 125.336 6.622 -0.436 1.00 0.00 C ATOM 728 CG TRP B 20 125.164 5.538 -1.441 1.00 0.00 C ATOM 729 CD1 TRP B 20 124.387 5.531 -2.570 1.00 0.00 C ATOM 730 CD2 TRP B 20 125.782 4.265 -1.369 1.00 0.00 C ATOM 731 NE1 TRP B 20 124.505 4.311 -3.204 1.00 0.00 N ATOM 732 CE2 TRP B 20 125.358 3.528 -2.481 1.00 0.00 C ATOM 733 CE3 TRP B 20 126.665 3.679 -0.462 1.00 0.00 C ATOM 734 CZ2 TRP B 20 125.787 2.240 -2.710 1.00 0.00 C ATOM 735 CZ3 TRP B 20 127.088 2.393 -0.694 1.00 0.00 C ATOM 736 CH2 TRP B 20 126.647 1.689 -1.811 1.00 0.00 C ATOM 0 H TRP B 20 122.866 6.983 0.190 1.00 0.00 H new ATOM 0 HA TRP B 20 125.011 5.231 1.145 1.00 0.00 H new ATOM 0 HB2 TRP B 20 124.892 7.544 -0.811 1.00 0.00 H new ATOM 0 HB3 TRP B 20 126.398 6.818 -0.285 1.00 0.00 H new ATOM 0 HD1 TRP B 20 123.776 6.354 -2.911 1.00 0.00 H new ATOM 0 HE1 TRP B 20 124.034 4.040 -4.067 1.00 0.00 H new ATOM 0 HE3 TRP B 20 127.009 4.225 0.404 1.00 0.00 H new ATOM 0 HZ2 TRP B 20 125.452 1.686 -3.574 1.00 0.00 H new ATOM 0 HZ3 TRP B 20 127.771 1.923 -0.002 1.00 0.00 H new ATOM 0 HH2 TRP B 20 126.997 0.679 -1.968 1.00 0.00 H new ATOM 747 N VAL B 21 125.708 6.654 3.036 1.00 0.00 N ATOM 748 CA VAL B 21 126.175 7.471 4.145 1.00 0.00 C ATOM 749 C VAL B 21 127.672 7.529 4.156 1.00 0.00 C ATOM 750 O VAL B 21 128.360 6.538 3.941 1.00 0.00 O ATOM 751 CB VAL B 21 125.735 6.966 5.527 1.00 0.00 C ATOM 752 CG1 VAL B 21 126.011 8.030 6.578 1.00 0.00 C ATOM 753 CG2 VAL B 21 124.269 6.559 5.580 1.00 0.00 C ATOM 0 H VAL B 21 125.871 5.653 3.146 1.00 0.00 H new ATOM 0 HA VAL B 21 125.725 8.450 3.979 1.00 0.00 H new ATOM 0 HB VAL B 21 126.319 6.069 5.732 1.00 0.00 H new ATOM 0 HG11 VAL B 21 125.697 7.666 7.556 1.00 0.00 H new ATOM 0 HG12 VAL B 21 127.078 8.252 6.599 1.00 0.00 H new ATOM 0 HG13 VAL B 21 125.457 8.936 6.333 1.00 0.00 H new ATOM 0 HG21 VAL B 21 124.024 6.212 6.584 1.00 0.00 H new ATOM 0 HG22 VAL B 21 123.644 7.416 5.330 1.00 0.00 H new ATOM 0 HG23 VAL B 21 124.088 5.757 4.865 1.00 0.00 H new ATOM 763 N LEU B 22 128.160 8.712 4.413 1.00 0.00 N ATOM 764 CA LEU B 22 129.574 8.956 4.464 1.00 0.00 C ATOM 765 C LEU B 22 130.264 7.999 5.426 1.00 0.00 C ATOM 766 O LEU B 22 129.913 7.926 6.602 1.00 0.00 O ATOM 767 CB LEU B 22 129.820 10.409 4.854 1.00 0.00 C ATOM 768 CG LEU B 22 130.384 11.271 3.723 1.00 0.00 C ATOM 769 CD1 LEU B 22 130.990 12.571 4.240 1.00 0.00 C ATOM 770 CD2 LEU B 22 131.417 10.491 2.938 1.00 0.00 C ATOM 0 H LEU B 22 127.586 9.536 4.593 1.00 0.00 H new ATOM 0 HA LEU B 22 130.002 8.777 3.478 1.00 0.00 H new ATOM 0 HB2 LEU B 22 128.882 10.846 5.197 1.00 0.00 H new ATOM 0 HB3 LEU B 22 130.511 10.436 5.697 1.00 0.00 H new ATOM 0 HG LEU B 22 129.553 11.535 3.069 1.00 0.00 H new ATOM 0 HD11 LEU B 22 131.378 13.150 3.402 1.00 0.00 H new ATOM 0 HD12 LEU B 22 130.224 13.149 4.757 1.00 0.00 H new ATOM 0 HD13 LEU B 22 131.802 12.344 4.931 1.00 0.00 H new ATOM 0 HD21 LEU B 22 131.811 11.115 2.136 1.00 0.00 H new ATOM 0 HD22 LEU B 22 132.230 10.195 3.601 1.00 0.00 H new ATOM 0 HD23 LEU B 22 130.954 9.601 2.512 1.00 0.00 H new ATOM 782 N LEU B 23 131.255 7.272 4.922 1.00 0.00 N ATOM 783 CA LEU B 23 131.995 6.330 5.754 1.00 0.00 C ATOM 784 C LEU B 23 132.613 7.070 6.933 1.00 0.00 C ATOM 785 O LEU B 23 132.555 6.603 8.068 1.00 0.00 O ATOM 786 CB LEU B 23 133.091 5.612 4.946 1.00 0.00 C ATOM 787 CG LEU B 23 133.612 4.311 5.516 1.00 0.00 C ATOM 788 CD1 LEU B 23 134.989 3.996 4.966 1.00 0.00 C ATOM 789 CD2 LEU B 23 133.642 4.352 7.024 1.00 0.00 C ATOM 0 H LEU B 23 131.563 7.316 3.950 1.00 0.00 H new ATOM 0 HA LEU B 23 131.301 5.573 6.119 1.00 0.00 H new ATOM 0 HB2 LEU B 23 132.703 5.415 3.947 1.00 0.00 H new ATOM 0 HB3 LEU B 23 133.933 6.295 4.832 1.00 0.00 H new ATOM 0 HG LEU B 23 132.930 3.517 5.212 1.00 0.00 H new ATOM 0 HD11 LEU B 23 135.344 3.056 5.390 1.00 0.00 H new ATOM 0 HD12 LEU B 23 134.936 3.908 3.881 1.00 0.00 H new ATOM 0 HD13 LEU B 23 135.679 4.797 5.232 1.00 0.00 H new ATOM 0 HD21 LEU B 23 134.021 3.404 7.406 1.00 0.00 H new ATOM 0 HD22 LEU B 23 134.293 5.162 7.353 1.00 0.00 H new ATOM 0 HD23 LEU B 23 132.634 4.520 7.404 1.00 0.00 H new ATOM 801 N SER B 24 133.201 8.233 6.659 1.00 0.00 N ATOM 802 CA SER B 24 133.823 9.046 7.697 1.00 0.00 C ATOM 803 C SER B 24 132.895 9.215 8.897 1.00 0.00 C ATOM 804 O SER B 24 133.356 9.417 10.020 1.00 0.00 O ATOM 805 CB SER B 24 134.205 10.418 7.139 1.00 0.00 C ATOM 806 OG SER B 24 134.584 11.302 8.178 1.00 0.00 O ATOM 0 H SER B 24 133.259 8.633 5.722 1.00 0.00 H new ATOM 0 HA SER B 24 134.723 8.530 8.030 1.00 0.00 H new ATOM 0 HB2 SER B 24 135.027 10.310 6.431 1.00 0.00 H new ATOM 0 HB3 SER B 24 133.363 10.838 6.589 1.00 0.00 H new ATOM 0 HG SER B 24 134.825 12.172 7.796 1.00 0.00 H new ATOM 812 N THR B 25 131.586 9.123 8.661 1.00 0.00 N ATOM 813 CA THR B 25 130.630 9.262 9.751 1.00 0.00 C ATOM 814 C THR B 25 130.726 8.070 10.700 1.00 0.00 C ATOM 815 O THR B 25 130.263 8.122 11.839 1.00 0.00 O ATOM 816 CB THR B 25 129.197 9.379 9.210 1.00 0.00 C ATOM 817 OG1 THR B 25 128.982 10.650 8.622 1.00 0.00 O ATOM 818 CG2 THR B 25 128.122 9.171 10.255 1.00 0.00 C ATOM 0 H THR B 25 131.173 8.956 7.743 1.00 0.00 H new ATOM 0 HA THR B 25 130.873 10.174 10.297 1.00 0.00 H new ATOM 0 HB THR B 25 129.114 8.578 8.475 1.00 0.00 H new ATOM 0 HG1 THR B 25 128.064 10.702 8.283 1.00 0.00 H new ATOM 0 HG21 THR B 25 127.140 9.270 9.792 1.00 0.00 H new ATOM 0 HG22 THR B 25 128.221 8.175 10.686 1.00 0.00 H new ATOM 0 HG23 THR B 25 128.229 9.918 11.041 1.00 0.00 H new ATOM 826 N PHE B 26 131.313 6.988 10.200 1.00 0.00 N ATOM 827 CA PHE B 26 131.463 5.756 10.960 1.00 0.00 C ATOM 828 C PHE B 26 132.856 5.642 11.580 1.00 0.00 C ATOM 829 O PHE B 26 133.128 4.722 12.347 1.00 0.00 O ATOM 830 CB PHE B 26 131.140 4.566 10.048 1.00 0.00 C ATOM 831 CG PHE B 26 129.663 4.497 9.718 1.00 0.00 C ATOM 832 CD1 PHE B 26 128.755 3.948 10.614 1.00 0.00 C ATOM 833 CD2 PHE B 26 129.175 5.034 8.536 1.00 0.00 C ATOM 834 CE1 PHE B 26 127.397 3.927 10.331 1.00 0.00 C ATOM 835 CE2 PHE B 26 127.822 5.025 8.252 1.00 0.00 C ATOM 836 CZ PHE B 26 126.927 4.470 9.149 1.00 0.00 C ATOM 0 H PHE B 26 131.698 6.942 9.256 1.00 0.00 H new ATOM 0 HA PHE B 26 130.762 5.761 11.795 1.00 0.00 H new ATOM 0 HB2 PHE B 26 131.715 4.648 9.126 1.00 0.00 H new ATOM 0 HB3 PHE B 26 131.448 3.641 10.535 1.00 0.00 H new ATOM 0 HD1 PHE B 26 129.111 3.531 11.545 1.00 0.00 H new ATOM 0 HD2 PHE B 26 129.864 5.467 7.825 1.00 0.00 H new ATOM 0 HE1 PHE B 26 126.706 3.486 11.034 1.00 0.00 H new ATOM 0 HE2 PHE B 26 127.463 5.452 7.327 1.00 0.00 H new ATOM 0 HZ PHE B 26 125.870 4.461 8.928 1.00 0.00 H new ATOM 846 N LEU B 27 133.730 6.594 11.275 1.00 0.00 N ATOM 847 CA LEU B 27 135.081 6.591 11.828 1.00 0.00 C ATOM 848 C LEU B 27 135.272 7.736 12.817 1.00 0.00 C ATOM 849 O LEU B 27 136.040 7.558 13.785 1.00 0.00 O ATOM 850 CB LEU B 27 136.110 6.692 10.704 1.00 0.00 C ATOM 851 CG LEU B 27 135.652 6.112 9.367 1.00 0.00 C ATOM 852 CD1 LEU B 27 136.732 6.249 8.323 1.00 0.00 C ATOM 853 CD2 LEU B 27 135.272 4.651 9.512 1.00 0.00 C ATOM 854 OXT LEU B 27 134.652 8.802 12.614 1.00 0.00 O ATOM 0 H LEU B 27 133.530 7.375 10.651 1.00 0.00 H new ATOM 0 HA LEU B 27 135.226 5.652 12.362 1.00 0.00 H new ATOM 0 HB2 LEU B 27 136.369 7.741 10.560 1.00 0.00 H new ATOM 0 HB3 LEU B 27 137.020 6.178 11.015 1.00 0.00 H new ATOM 0 HG LEU B 27 134.776 6.676 9.048 1.00 0.00 H new ATOM 0 HD11 LEU B 27 136.382 5.829 7.380 1.00 0.00 H new ATOM 0 HD12 LEU B 27 136.972 7.303 8.184 1.00 0.00 H new ATOM 0 HD13 LEU B 27 137.624 5.714 8.650 1.00 0.00 H new ATOM 0 HD21 LEU B 27 134.949 4.261 8.546 1.00 0.00 H new ATOM 0 HD22 LEU B 27 136.134 4.084 9.862 1.00 0.00 H new ATOM 0 HD23 LEU B 27 134.459 4.556 10.231 1.00 0.00 H new ATOM 867 N GLY C 1 121.853 4.773 -12.816 1.00 0.00 N ATOM 868 CA GLY C 1 121.020 4.673 -11.587 1.00 0.00 C ATOM 869 C GLY C 1 121.680 3.845 -10.505 1.00 0.00 C ATOM 870 O GLY C 1 121.784 4.281 -9.361 1.00 0.00 O ATOM 0 H1 GLY C 1 121.357 5.349 -13.526 1.00 0.00 H new ATOM 0 H2 GLY C 1 122.763 5.218 -12.583 1.00 0.00 H new ATOM 0 H3 GLY C 1 122.021 3.821 -13.200 1.00 0.00 H new ATOM 0 HA2 GLY C 1 120.822 5.674 -11.204 1.00 0.00 H new ATOM 0 HA3 GLY C 1 120.056 4.232 -11.840 1.00 0.00 H new ATOM 876 N TYR C 2 122.118 2.644 -10.870 1.00 0.00 N ATOM 877 CA TYR C 2 122.775 1.736 -9.923 1.00 0.00 C ATOM 878 C TYR C 2 124.297 1.772 -10.086 1.00 0.00 C ATOM 879 O TYR C 2 124.813 2.302 -11.070 1.00 0.00 O ATOM 880 CB TYR C 2 122.250 0.298 -10.077 1.00 0.00 C ATOM 881 CG TYR C 2 120.819 0.082 -9.610 1.00 0.00 C ATOM 882 CD1 TYR C 2 119.942 1.147 -9.423 1.00 0.00 C ATOM 883 CD2 TYR C 2 120.342 -1.202 -9.375 1.00 0.00 C ATOM 884 CE1 TYR C 2 118.638 0.936 -9.013 1.00 0.00 C ATOM 885 CE2 TYR C 2 119.038 -1.419 -8.969 1.00 0.00 C ATOM 886 CZ TYR C 2 118.192 -0.348 -8.790 1.00 0.00 C ATOM 887 OH TYR C 2 116.893 -0.561 -8.387 1.00 0.00 O ATOM 0 H TYR C 2 122.032 2.272 -11.816 1.00 0.00 H new ATOM 0 HA TYR C 2 122.533 2.081 -8.918 1.00 0.00 H new ATOM 0 HB2 TYR C 2 122.321 0.012 -11.126 1.00 0.00 H new ATOM 0 HB3 TYR C 2 122.903 -0.373 -9.519 1.00 0.00 H new ATOM 0 HD1 TYR C 2 120.286 2.155 -9.601 1.00 0.00 H new ATOM 0 HD2 TYR C 2 121.002 -2.046 -9.512 1.00 0.00 H new ATOM 0 HE1 TYR C 2 117.972 1.774 -8.868 1.00 0.00 H new ATOM 0 HE2 TYR C 2 118.685 -2.424 -8.793 1.00 0.00 H new ATOM 0 HH TYR C 2 116.739 -1.522 -8.275 1.00 0.00 H new ATOM 897 N ILE C 3 125.008 1.189 -9.118 1.00 0.00 N ATOM 898 CA ILE C 3 126.469 1.134 -9.153 1.00 0.00 C ATOM 899 C ILE C 3 126.929 -0.234 -9.575 1.00 0.00 C ATOM 900 O ILE C 3 126.211 -1.218 -9.401 1.00 0.00 O ATOM 901 CB ILE C 3 127.152 1.363 -7.793 1.00 0.00 C ATOM 902 CG1 ILE C 3 126.305 0.838 -6.654 1.00 0.00 C ATOM 903 CG2 ILE C 3 127.527 2.806 -7.555 1.00 0.00 C ATOM 904 CD1 ILE C 3 126.905 1.110 -5.298 1.00 0.00 C ATOM 0 H ILE C 3 124.592 0.747 -8.298 1.00 0.00 H new ATOM 0 HA ILE C 3 126.744 1.931 -9.844 1.00 0.00 H new ATOM 0 HB ILE C 3 128.082 0.796 -7.826 1.00 0.00 H new ATOM 0 HG12 ILE C 3 125.316 1.293 -6.705 1.00 0.00 H new ATOM 0 HG13 ILE C 3 126.169 -0.237 -6.776 1.00 0.00 H new ATOM 0 HG21 ILE C 3 128.004 2.902 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE C 3 128.218 3.135 -8.331 1.00 0.00 H new ATOM 0 HG23 ILE C 3 126.630 3.424 -7.582 1.00 0.00 H new ATOM 0 HD11 ILE C 3 126.251 0.709 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE C 3 127.882 0.632 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE C 3 127.016 2.185 -5.158 1.00 0.00 H new ATOM 916 N PRO C 4 128.154 -0.334 -10.085 1.00 0.00 N ATOM 917 CA PRO C 4 128.707 -1.598 -10.474 1.00 0.00 C ATOM 918 C PRO C 4 129.297 -2.340 -9.285 1.00 0.00 C ATOM 919 O PRO C 4 129.814 -1.746 -8.343 1.00 0.00 O ATOM 920 CB PRO C 4 129.772 -1.238 -11.521 1.00 0.00 C ATOM 921 CG PRO C 4 129.937 0.257 -11.451 1.00 0.00 C ATOM 922 CD PRO C 4 129.114 0.752 -10.287 1.00 0.00 C ATOM 0 HA PRO C 4 127.955 -2.277 -10.876 1.00 0.00 H new ATOM 0 HB2 PRO C 4 130.714 -1.744 -11.309 1.00 0.00 H new ATOM 0 HB3 PRO C 4 129.460 -1.549 -12.518 1.00 0.00 H new ATOM 0 HG2 PRO C 4 130.986 0.521 -11.318 1.00 0.00 H new ATOM 0 HG3 PRO C 4 129.606 0.723 -12.379 1.00 0.00 H new ATOM 0 HD2 PRO C 4 129.726 0.921 -9.401 1.00 0.00 H new ATOM 0 HD3 PRO C 4 128.617 1.695 -10.515 1.00 0.00 H new ATOM 930 N GLU C 5 129.154 -3.657 -9.343 1.00 0.00 N ATOM 931 CA GLU C 5 129.598 -4.556 -8.288 1.00 0.00 C ATOM 932 C GLU C 5 131.092 -4.413 -7.994 1.00 0.00 C ATOM 933 O GLU C 5 131.906 -4.213 -8.895 1.00 0.00 O ATOM 934 CB GLU C 5 129.270 -6.003 -8.679 1.00 0.00 C ATOM 935 CG GLU C 5 129.998 -7.058 -7.858 1.00 0.00 C ATOM 936 CD GLU C 5 129.114 -7.717 -6.818 1.00 0.00 C ATOM 937 OE1 GLU C 5 128.237 -8.518 -7.203 1.00 0.00 O ATOM 938 OE2 GLU C 5 129.301 -7.427 -5.616 1.00 0.00 O ATOM 0 H GLU C 5 128.722 -4.136 -10.133 1.00 0.00 H new ATOM 0 HA GLU C 5 129.067 -4.287 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU C 5 128.196 -6.159 -8.578 1.00 0.00 H new ATOM 0 HB3 GLU C 5 129.515 -6.146 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU C 5 130.393 -7.822 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU C 5 130.852 -6.598 -7.361 1.00 0.00 H new ATOM 945 N ALA C 6 131.428 -4.531 -6.711 1.00 0.00 N ATOM 946 CA ALA C 6 132.807 -4.432 -6.247 1.00 0.00 C ATOM 947 C ALA C 6 133.535 -5.771 -6.378 1.00 0.00 C ATOM 948 O ALA C 6 132.919 -6.801 -6.648 1.00 0.00 O ATOM 949 CB ALA C 6 132.835 -3.971 -4.798 1.00 0.00 C ATOM 0 H ALA C 6 130.752 -4.698 -5.966 1.00 0.00 H new ATOM 0 HA ALA C 6 133.321 -3.703 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA C 6 133.868 -3.900 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA C 6 132.358 -2.994 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA C 6 132.298 -4.689 -4.177 1.00 0.00 H new ATOM 955 N PRO C 7 134.864 -5.769 -6.173 1.00 0.00 N ATOM 956 CA PRO C 7 135.681 -6.983 -6.254 1.00 0.00 C ATOM 957 C PRO C 7 135.263 -8.019 -5.213 1.00 0.00 C ATOM 958 O PRO C 7 134.810 -7.663 -4.125 1.00 0.00 O ATOM 959 CB PRO C 7 137.108 -6.494 -5.957 1.00 0.00 C ATOM 960 CG PRO C 7 137.075 -5.010 -6.114 1.00 0.00 C ATOM 961 CD PRO C 7 135.664 -4.583 -5.831 1.00 0.00 C ATOM 0 HA PRO C 7 135.580 -7.471 -7.224 1.00 0.00 H new ATOM 0 HB2 PRO C 7 137.414 -6.773 -4.949 1.00 0.00 H new ATOM 0 HB3 PRO C 7 137.825 -6.943 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO C 7 137.771 -4.531 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO C 7 137.374 -4.720 -7.121 1.00 0.00 H new ATOM 0 HD2 PRO C 7 135.533 -4.300 -4.787 1.00 0.00 H new ATOM 0 HD3 PRO C 7 135.379 -3.720 -6.433 1.00 0.00 H new ATOM 969 N ARG C 8 135.425 -9.301 -5.538 1.00 0.00 N ATOM 970 CA ARG C 8 135.072 -10.374 -4.616 1.00 0.00 C ATOM 971 C ARG C 8 136.317 -11.109 -4.136 1.00 0.00 C ATOM 972 O ARG C 8 136.508 -12.292 -4.421 1.00 0.00 O ATOM 973 CB ARG C 8 134.100 -11.348 -5.255 1.00 0.00 C ATOM 974 CG ARG C 8 132.821 -10.692 -5.754 1.00 0.00 C ATOM 975 CD ARG C 8 131.654 -11.668 -5.775 1.00 0.00 C ATOM 976 NE ARG C 8 131.173 -11.913 -7.135 1.00 0.00 N ATOM 977 CZ ARG C 8 129.886 -11.920 -7.485 1.00 0.00 C ATOM 978 NH1 ARG C 8 128.935 -11.711 -6.582 1.00 0.00 N ATOM 979 NH2 ARG C 8 129.549 -12.142 -8.748 1.00 0.00 N ATOM 0 H ARG C 8 135.798 -9.619 -6.432 1.00 0.00 H new ATOM 0 HA ARG C 8 134.583 -9.920 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG C 8 134.593 -11.845 -6.090 1.00 0.00 H new ATOM 0 HB3 ARG C 8 133.843 -12.121 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG C 8 132.574 -9.845 -5.114 1.00 0.00 H new ATOM 0 HG3 ARG C 8 132.983 -10.298 -6.757 1.00 0.00 H new ATOM 0 HD2 ARG C 8 131.961 -12.611 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG C 8 130.840 -11.274 -5.167 1.00 0.00 H new ATOM 0 HE ARG C 8 131.866 -12.090 -7.862 1.00 0.00 H new ATOM 0 HH11 ARG C 8 129.185 -11.543 -5.608 1.00 0.00 H new ATOM 0 HH12 ARG C 8 127.954 -11.719 -6.863 1.00 0.00 H new ATOM 0 HH21 ARG C 8 130.273 -12.307 -9.448 1.00 0.00 H new ATOM 0 HH22 ARG C 8 128.566 -12.148 -9.020 1.00 0.00 H new ATOM 993 N ASP C 9 137.159 -10.391 -3.411 1.00 0.00 N ATOM 994 CA ASP C 9 138.399 -10.945 -2.882 1.00 0.00 C ATOM 995 C ASP C 9 138.452 -10.845 -1.359 1.00 0.00 C ATOM 996 O ASP C 9 139.534 -10.864 -0.771 1.00 0.00 O ATOM 997 CB ASP C 9 139.612 -10.213 -3.461 1.00 0.00 C ATOM 998 CG ASP C 9 139.470 -8.705 -3.410 1.00 0.00 C ATOM 999 OD1 ASP C 9 138.390 -8.218 -3.015 1.00 0.00 O ATOM 1000 OD2 ASP C 9 140.444 -8.008 -3.764 1.00 0.00 O ATOM 0 H ASP C 9 137.005 -9.411 -3.172 1.00 0.00 H new ATOM 0 HA ASP C 9 138.426 -11.995 -3.173 1.00 0.00 H new ATOM 0 HB2 ASP C 9 140.505 -10.508 -2.910 1.00 0.00 H new ATOM 0 HB3 ASP C 9 139.758 -10.524 -4.495 1.00 0.00 H new ATOM 1005 N GLY C 10 137.292 -10.748 -0.718 1.00 0.00 N ATOM 1006 CA GLY C 10 137.266 -10.659 0.733 1.00 0.00 C ATOM 1007 C GLY C 10 137.571 -9.272 1.240 1.00 0.00 C ATOM 1008 O GLY C 10 137.877 -9.098 2.421 1.00 0.00 O ATOM 0 H GLY C 10 136.378 -10.729 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY C 10 136.284 -10.965 1.093 1.00 0.00 H new ATOM 0 HA3 GLY C 10 137.990 -11.360 1.148 1.00 0.00 H new ATOM 1012 N GLN C 11 137.511 -8.275 0.363 1.00 0.00 N ATOM 1013 CA GLN C 11 137.800 -6.914 0.778 1.00 0.00 C ATOM 1014 C GLN C 11 136.548 -6.064 0.746 1.00 0.00 C ATOM 1015 O GLN C 11 135.725 -6.183 -0.160 1.00 0.00 O ATOM 1016 CB GLN C 11 138.876 -6.317 -0.110 1.00 0.00 C ATOM 1017 CG GLN C 11 140.024 -7.278 -0.390 1.00 0.00 C ATOM 1018 CD GLN C 11 141.376 -6.604 -0.530 1.00 0.00 C ATOM 1019 OE1 GLN C 11 142.183 -6.635 0.399 1.00 0.00 O ATOM 1020 NE2 GLN C 11 141.645 -5.989 -1.675 1.00 0.00 N ATOM 0 H GLN C 11 137.269 -8.384 -0.622 1.00 0.00 H new ATOM 0 HA GLN C 11 138.165 -6.934 1.805 1.00 0.00 H new ATOM 0 HB2 GLN C 11 138.429 -6.010 -1.055 1.00 0.00 H new ATOM 0 HB3 GLN C 11 139.271 -5.418 0.363 1.00 0.00 H new ATOM 0 HG2 GLN C 11 140.076 -8.009 0.417 1.00 0.00 H new ATOM 0 HG3 GLN C 11 139.808 -7.828 -1.306 1.00 0.00 H new ATOM 0 HE21 GLN C 11 140.954 -5.982 -2.425 1.00 0.00 H new ATOM 0 HE22 GLN C 11 142.543 -5.523 -1.805 1.00 0.00 H new ATOM 1029 N ALA C 12 136.409 -5.206 1.748 1.00 0.00 N ATOM 1030 CA ALA C 12 135.263 -4.330 1.868 1.00 0.00 C ATOM 1031 C ALA C 12 135.536 -3.000 1.215 1.00 0.00 C ATOM 1032 O ALA C 12 136.611 -2.421 1.352 1.00 0.00 O ATOM 1033 CB ALA C 12 134.888 -4.146 3.330 1.00 0.00 C ATOM 0 H ALA C 12 137.091 -5.102 2.499 1.00 0.00 H new ATOM 0 HA ALA C 12 134.421 -4.792 1.352 1.00 0.00 H new ATOM 0 HB1 ALA C 12 134.025 -3.485 3.404 1.00 0.00 H new ATOM 0 HB2 ALA C 12 134.642 -5.114 3.767 1.00 0.00 H new ATOM 0 HB3 ALA C 12 135.728 -3.707 3.869 1.00 0.00 H new ATOM 1039 N TYR C 13 134.551 -2.540 0.488 1.00 0.00 N ATOM 1040 CA TYR C 13 134.652 -1.294 -0.225 1.00 0.00 C ATOM 1041 C TYR C 13 133.596 -0.313 0.190 1.00 0.00 C ATOM 1042 O TYR C 13 132.483 -0.658 0.586 1.00 0.00 O ATOM 1043 CB TYR C 13 134.539 -1.542 -1.707 1.00 0.00 C ATOM 1044 CG TYR C 13 135.770 -2.184 -2.240 1.00 0.00 C ATOM 1045 CD1 TYR C 13 136.886 -1.427 -2.483 1.00 0.00 C ATOM 1046 CD2 TYR C 13 135.831 -3.535 -2.463 1.00 0.00 C ATOM 1047 CE1 TYR C 13 138.041 -1.993 -2.942 1.00 0.00 C ATOM 1048 CE2 TYR C 13 136.990 -4.123 -2.922 1.00 0.00 C ATOM 1049 CZ TYR C 13 138.097 -3.346 -3.160 1.00 0.00 C ATOM 1050 OH TYR C 13 139.259 -3.923 -3.618 1.00 0.00 O ATOM 0 H TYR C 13 133.657 -3.018 0.374 1.00 0.00 H new ATOM 0 HA TYR C 13 135.624 -0.863 0.017 1.00 0.00 H new ATOM 0 HB2 TYR C 13 133.678 -2.179 -1.907 1.00 0.00 H new ATOM 0 HB3 TYR C 13 134.365 -0.598 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR C 13 136.852 -0.362 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR C 13 134.960 -4.146 -2.277 1.00 0.00 H new ATOM 0 HE1 TYR C 13 138.908 -1.377 -3.133 1.00 0.00 H new ATOM 0 HE2 TYR C 13 137.027 -5.189 -3.093 1.00 0.00 H new ATOM 0 HH TYR C 13 139.127 -4.889 -3.718 1.00 0.00 H new ATOM 1060 N VAL C 14 133.980 0.912 0.034 1.00 0.00 N ATOM 1061 CA VAL C 14 133.166 2.055 0.306 1.00 0.00 C ATOM 1062 C VAL C 14 132.800 2.599 -1.054 1.00 0.00 C ATOM 1063 O VAL C 14 133.529 2.353 -2.016 1.00 0.00 O ATOM 1064 CB VAL C 14 134.009 3.076 1.091 1.00 0.00 C ATOM 1065 CG1 VAL C 14 133.304 3.652 2.307 1.00 0.00 C ATOM 1066 CG2 VAL C 14 135.325 2.429 1.497 1.00 0.00 C ATOM 0 H VAL C 14 134.912 1.156 -0.302 1.00 0.00 H new ATOM 0 HA VAL C 14 132.278 1.828 0.896 1.00 0.00 H new ATOM 0 HB VAL C 14 134.184 3.922 0.426 1.00 0.00 H new ATOM 0 HG11 VAL C 14 133.962 4.363 2.807 1.00 0.00 H new ATOM 0 HG12 VAL C 14 132.393 4.161 1.992 1.00 0.00 H new ATOM 0 HG13 VAL C 14 133.050 2.846 2.996 1.00 0.00 H new ATOM 0 HG21 VAL C 14 135.927 3.147 2.054 1.00 0.00 H new ATOM 0 HG22 VAL C 14 135.125 1.560 2.124 1.00 0.00 H new ATOM 0 HG23 VAL C 14 135.867 2.116 0.605 1.00 0.00 H new ATOM 1076 N ARG C 15 131.697 3.304 -1.184 1.00 0.00 N ATOM 1077 CA ARG C 15 131.344 3.790 -2.498 1.00 0.00 C ATOM 1078 C ARG C 15 131.618 5.290 -2.569 1.00 0.00 C ATOM 1079 O ARG C 15 130.923 6.111 -1.970 1.00 0.00 O ATOM 1080 CB ARG C 15 129.882 3.410 -2.815 1.00 0.00 C ATOM 1081 CG ARG C 15 129.564 2.982 -4.256 1.00 0.00 C ATOM 1082 CD ARG C 15 130.729 3.107 -5.221 1.00 0.00 C ATOM 1083 NE ARG C 15 130.323 3.521 -6.569 1.00 0.00 N ATOM 1084 CZ ARG C 15 130.722 2.901 -7.687 1.00 0.00 C ATOM 1085 NH1 ARG C 15 131.510 1.834 -7.615 1.00 0.00 N ATOM 1086 NH2 ARG C 15 130.342 3.330 -8.879 1.00 0.00 N ATOM 0 H ARG C 15 131.053 3.546 -0.430 1.00 0.00 H new ATOM 0 HA ARG C 15 131.957 3.322 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG C 15 129.593 2.597 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG C 15 129.250 4.263 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG C 15 129.225 1.946 -4.248 1.00 0.00 H new ATOM 0 HG3 ARG C 15 128.735 3.585 -4.626 1.00 0.00 H new ATOM 0 HD2 ARG C 15 131.443 3.829 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG C 15 131.245 2.149 -5.283 1.00 0.00 H new ATOM 0 HE ARG C 15 129.703 4.326 -6.659 1.00 0.00 H new ATOM 0 HH11 ARG C 15 131.813 1.484 -6.706 1.00 0.00 H new ATOM 0 HH12 ARG C 15 131.812 1.364 -8.469 1.00 0.00 H new ATOM 0 HH21 ARG C 15 129.735 4.146 -8.958 1.00 0.00 H new ATOM 0 HH22 ARG C 15 130.656 2.845 -9.720 1.00 0.00 H new ATOM 1100 N LYS C 16 132.685 5.608 -3.315 1.00 0.00 N ATOM 1101 CA LYS C 16 133.155 6.977 -3.510 1.00 0.00 C ATOM 1102 C LYS C 16 133.542 7.250 -4.960 1.00 0.00 C ATOM 1103 O LYS C 16 134.266 6.463 -5.566 1.00 0.00 O ATOM 1104 CB LYS C 16 134.347 7.233 -2.598 1.00 0.00 C ATOM 1105 CG LYS C 16 135.362 8.235 -3.110 1.00 0.00 C ATOM 1106 CD LYS C 16 136.645 8.135 -2.298 1.00 0.00 C ATOM 1107 CE LYS C 16 136.911 9.377 -1.474 1.00 0.00 C ATOM 1108 NZ LYS C 16 137.538 9.057 -0.164 1.00 0.00 N ATOM 0 H LYS C 16 133.248 4.911 -3.803 1.00 0.00 H new ATOM 0 HA LYS C 16 132.337 7.653 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS C 16 133.976 7.580 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS C 16 134.856 6.286 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS C 16 135.572 8.047 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS C 16 134.956 9.244 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS C 16 136.586 7.271 -1.637 1.00 0.00 H new ATOM 0 HD3 LYS C 16 137.485 7.964 -2.972 1.00 0.00 H new ATOM 0 HE2 LYS C 16 137.563 10.049 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS C 16 135.974 9.908 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 137.810 9.939 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 136.859 8.537 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 138.384 8.471 -0.318 1.00 0.00 H new ATOM 1122 N ASP C 17 133.108 8.380 -5.494 1.00 0.00 N ATOM 1123 CA ASP C 17 133.461 8.791 -6.850 1.00 0.00 C ATOM 1124 C ASP C 17 133.266 7.685 -7.885 1.00 0.00 C ATOM 1125 O ASP C 17 134.118 7.476 -8.750 1.00 0.00 O ATOM 1126 CB ASP C 17 134.905 9.343 -6.921 1.00 0.00 C ATOM 1127 CG ASP C 17 135.849 8.877 -5.849 1.00 0.00 C ATOM 1128 OD1 ASP C 17 136.240 7.691 -5.876 1.00 0.00 O ATOM 1129 OD2 ASP C 17 136.244 9.715 -5.009 1.00 0.00 O ATOM 0 H ASP C 17 132.503 9.039 -5.004 1.00 0.00 H new ATOM 0 HA ASP C 17 132.766 9.591 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP C 17 135.327 9.074 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP C 17 134.857 10.431 -6.886 1.00 0.00 H new ATOM 1134 N GLY C 18 132.132 7.003 -7.820 1.00 0.00 N ATOM 1135 CA GLY C 18 131.830 5.959 -8.780 1.00 0.00 C ATOM 1136 C GLY C 18 132.749 4.752 -8.714 1.00 0.00 C ATOM 1137 O GLY C 18 132.689 3.890 -9.591 1.00 0.00 O ATOM 0 H GLY C 18 131.411 7.155 -7.115 1.00 0.00 H new ATOM 0 HA2 GLY C 18 130.804 5.626 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY C 18 131.879 6.382 -9.784 1.00 0.00 H new ATOM 1141 N GLU C 19 133.604 4.668 -7.699 1.00 0.00 N ATOM 1142 CA GLU C 19 134.505 3.535 -7.590 1.00 0.00 C ATOM 1143 C GLU C 19 134.449 2.916 -6.207 1.00 0.00 C ATOM 1144 O GLU C 19 134.006 3.548 -5.248 1.00 0.00 O ATOM 1145 CB GLU C 19 135.928 3.984 -7.879 1.00 0.00 C ATOM 1146 CG GLU C 19 136.152 4.422 -9.317 1.00 0.00 C ATOM 1147 CD GLU C 19 137.535 4.065 -9.829 1.00 0.00 C ATOM 1148 OE1 GLU C 19 137.816 2.859 -9.987 1.00 0.00 O ATOM 1149 OE2 GLU C 19 138.335 4.993 -10.072 1.00 0.00 O ATOM 0 H GLU C 19 133.689 5.360 -6.954 1.00 0.00 H new ATOM 0 HA GLU C 19 134.192 2.785 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU C 19 136.181 4.810 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU C 19 136.611 3.167 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU C 19 135.401 3.956 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU C 19 136.009 5.500 -9.391 1.00 0.00 H new ATOM 1156 N TRP C 20 134.918 1.679 -6.108 1.00 0.00 N ATOM 1157 CA TRP C 20 134.937 0.983 -4.836 1.00 0.00 C ATOM 1158 C TRP C 20 136.284 1.172 -4.161 1.00 0.00 C ATOM 1159 O TRP C 20 137.322 0.794 -4.706 1.00 0.00 O ATOM 1160 CB TRP C 20 134.612 -0.505 -5.002 1.00 0.00 C ATOM 1161 CG TRP C 20 133.172 -0.680 -5.328 1.00 0.00 C ATOM 1162 CD1 TRP C 20 132.608 -1.115 -6.495 1.00 0.00 C ATOM 1163 CD2 TRP C 20 132.097 -0.368 -4.452 1.00 0.00 C ATOM 1164 NE1 TRP C 20 131.235 -1.089 -6.382 1.00 0.00 N ATOM 1165 CE2 TRP C 20 130.908 -0.636 -5.136 1.00 0.00 C ATOM 1166 CE3 TRP C 20 132.030 0.112 -3.143 1.00 0.00 C ATOM 1167 CZ2 TRP C 20 129.670 -0.437 -4.560 1.00 0.00 C ATOM 1168 CZ3 TRP C 20 130.796 0.310 -2.575 1.00 0.00 C ATOM 1169 CH2 TRP C 20 129.631 0.034 -3.283 1.00 0.00 C ATOM 0 H TRP C 20 135.288 1.142 -6.892 1.00 0.00 H new ATOM 0 HA TRP C 20 134.161 1.413 -4.202 1.00 0.00 H new ATOM 0 HB2 TRP C 20 135.227 -0.933 -5.794 1.00 0.00 H new ATOM 0 HB3 TRP C 20 134.853 -1.042 -4.085 1.00 0.00 H new ATOM 0 HD1 TRP C 20 133.155 -1.431 -7.371 1.00 0.00 H new ATOM 0 HE1 TRP C 20 130.573 -1.363 -7.108 1.00 0.00 H new ATOM 0 HE3 TRP C 20 132.932 0.324 -2.588 1.00 0.00 H new ATOM 0 HZ2 TRP C 20 128.761 -0.648 -5.104 1.00 0.00 H new ATOM 0 HZ3 TRP C 20 130.729 0.685 -1.565 1.00 0.00 H new ATOM 0 HH2 TRP C 20 128.674 0.197 -2.809 1.00 0.00 H new ATOM 1180 N VAL C 21 136.264 1.754 -2.969 1.00 0.00 N ATOM 1181 CA VAL C 21 137.492 1.985 -2.221 1.00 0.00 C ATOM 1182 C VAL C 21 137.515 1.138 -0.984 1.00 0.00 C ATOM 1183 O VAL C 21 136.518 0.988 -0.293 1.00 0.00 O ATOM 1184 CB VAL C 21 137.684 3.449 -1.780 1.00 0.00 C ATOM 1185 CG1 VAL C 21 139.108 3.650 -1.281 1.00 0.00 C ATOM 1186 CG2 VAL C 21 137.388 4.452 -2.887 1.00 0.00 C ATOM 0 H VAL C 21 135.415 2.073 -2.502 1.00 0.00 H new ATOM 0 HA VAL C 21 138.299 1.725 -2.906 1.00 0.00 H new ATOM 0 HB VAL C 21 136.966 3.635 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL C 21 139.242 4.686 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL C 21 139.293 2.990 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL C 21 139.810 3.418 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL C 21 137.542 5.464 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL C 21 138.056 4.272 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL C 21 136.354 4.339 -3.213 1.00 0.00 H new ATOM 1196 N LEU C 22 138.664 0.575 -0.723 1.00 0.00 N ATOM 1197 CA LEU C 22 138.841 -0.264 0.427 1.00 0.00 C ATOM 1198 C LEU C 22 138.509 0.463 1.717 1.00 0.00 C ATOM 1199 O LEU C 22 139.024 1.546 1.996 1.00 0.00 O ATOM 1200 CB LEU C 22 140.248 -0.793 0.455 1.00 0.00 C ATOM 1201 CG LEU C 22 140.339 -2.302 0.252 1.00 0.00 C ATOM 1202 CD1 LEU C 22 141.674 -2.811 0.721 1.00 0.00 C ATOM 1203 CD2 LEU C 22 139.207 -3.025 0.976 1.00 0.00 C ATOM 0 H LEU C 22 139.498 0.685 -1.299 1.00 0.00 H new ATOM 0 HA LEU C 22 138.145 -1.099 0.348 1.00 0.00 H new ATOM 0 HB2 LEU C 22 140.830 -0.295 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU C 22 140.705 -0.535 1.411 1.00 0.00 H new ATOM 0 HG LEU C 22 140.239 -2.507 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU C 22 141.726 -3.889 0.570 1.00 0.00 H new ATOM 0 HD12 LEU C 22 142.468 -2.327 0.153 1.00 0.00 H new ATOM 0 HD13 LEU C 22 141.797 -2.586 1.780 1.00 0.00 H new ATOM 0 HD21 LEU C 22 139.298 -4.099 0.813 1.00 0.00 H new ATOM 0 HD22 LEU C 22 139.265 -2.814 2.044 1.00 0.00 H new ATOM 0 HD23 LEU C 22 138.248 -2.679 0.589 1.00 0.00 H new ATOM 1215 N LEU C 23 137.649 -0.161 2.498 1.00 0.00 N ATOM 1216 CA LEU C 23 137.220 0.375 3.776 1.00 0.00 C ATOM 1217 C LEU C 23 138.404 0.593 4.716 1.00 0.00 C ATOM 1218 O LEU C 23 138.403 1.530 5.512 1.00 0.00 O ATOM 1219 CB LEU C 23 136.213 -0.584 4.406 1.00 0.00 C ATOM 1220 CG LEU C 23 135.815 -0.311 5.867 1.00 0.00 C ATOM 1221 CD1 LEU C 23 135.563 1.158 6.132 1.00 0.00 C ATOM 1222 CD2 LEU C 23 134.566 -1.083 6.218 1.00 0.00 C ATOM 0 H LEU C 23 137.226 -1.059 2.263 1.00 0.00 H new ATOM 0 HA LEU C 23 136.753 1.346 3.609 1.00 0.00 H new ATOM 0 HB2 LEU C 23 135.307 -0.572 3.799 1.00 0.00 H new ATOM 0 HB3 LEU C 23 136.622 -1.593 4.348 1.00 0.00 H new ATOM 0 HG LEU C 23 136.653 -0.632 6.485 1.00 0.00 H new ATOM 0 HD11 LEU C 23 135.285 1.297 7.177 1.00 0.00 H new ATOM 0 HD12 LEU C 23 136.468 1.727 5.918 1.00 0.00 H new ATOM 0 HD13 LEU C 23 134.754 1.510 5.492 1.00 0.00 H new ATOM 0 HD21 LEU C 23 134.293 -0.882 7.254 1.00 0.00 H new ATOM 0 HD22 LEU C 23 133.752 -0.775 5.562 1.00 0.00 H new ATOM 0 HD23 LEU C 23 134.750 -2.150 6.091 1.00 0.00 H new ATOM 1234 N SER C 24 139.407 -0.282 4.649 1.00 0.00 N ATOM 1235 CA SER C 24 140.563 -0.175 5.532 1.00 0.00 C ATOM 1236 C SER C 24 141.368 1.082 5.240 1.00 0.00 C ATOM 1237 O SER C 24 142.100 1.561 6.107 1.00 0.00 O ATOM 1238 CB SER C 24 141.460 -1.410 5.391 1.00 0.00 C ATOM 1239 OG SER C 24 141.677 -2.030 6.647 1.00 0.00 O ATOM 0 H SER C 24 139.441 -1.066 3.997 1.00 0.00 H new ATOM 0 HA SER C 24 140.193 -0.114 6.555 1.00 0.00 H new ATOM 0 HB2 SER C 24 140.999 -2.121 4.706 1.00 0.00 H new ATOM 0 HB3 SER C 24 142.416 -1.121 4.955 1.00 0.00 H new ATOM 0 HG SER C 24 142.251 -2.816 6.529 1.00 0.00 H new ATOM 1245 N THR C 25 141.200 1.656 4.054 1.00 0.00 N ATOM 1246 CA THR C 25 141.898 2.895 3.749 1.00 0.00 C ATOM 1247 C THR C 25 141.310 4.008 4.617 1.00 0.00 C ATOM 1248 O THR C 25 141.903 5.073 4.790 1.00 0.00 O ATOM 1249 CB THR C 25 141.770 3.256 2.261 1.00 0.00 C ATOM 1250 OG1 THR C 25 142.645 2.462 1.479 1.00 0.00 O ATOM 1251 CG2 THR C 25 142.070 4.709 1.944 1.00 0.00 C ATOM 0 H THR C 25 140.604 1.295 3.309 1.00 0.00 H new ATOM 0 HA THR C 25 142.960 2.771 3.963 1.00 0.00 H new ATOM 0 HB THR C 25 140.724 3.067 2.019 1.00 0.00 H new ATOM 0 HG1 THR C 25 142.549 2.704 0.534 1.00 0.00 H new ATOM 0 HG21 THR C 25 141.957 4.879 0.873 1.00 0.00 H new ATOM 0 HG22 THR C 25 141.377 5.351 2.489 1.00 0.00 H new ATOM 0 HG23 THR C 25 143.092 4.943 2.242 1.00 0.00 H new ATOM 1259 N PHE C 26 140.110 3.735 5.135 1.00 0.00 N ATOM 1260 CA PHE C 26 139.363 4.668 5.967 1.00 0.00 C ATOM 1261 C PHE C 26 139.516 4.357 7.456 1.00 0.00 C ATOM 1262 O PHE C 26 139.094 5.141 8.302 1.00 0.00 O ATOM 1263 CB PHE C 26 137.895 4.634 5.540 1.00 0.00 C ATOM 1264 CG PHE C 26 137.680 5.214 4.166 1.00 0.00 C ATOM 1265 CD1 PHE C 26 137.493 6.577 3.987 1.00 0.00 C ATOM 1266 CD2 PHE C 26 137.678 4.393 3.050 1.00 0.00 C ATOM 1267 CE1 PHE C 26 137.308 7.108 2.722 1.00 0.00 C ATOM 1268 CE2 PHE C 26 137.497 4.915 1.783 1.00 0.00 C ATOM 1269 CZ PHE C 26 137.311 6.280 1.615 1.00 0.00 C ATOM 0 H PHE C 26 139.628 2.849 4.984 1.00 0.00 H new ATOM 0 HA PHE C 26 139.765 5.671 5.824 1.00 0.00 H new ATOM 0 HB2 PHE C 26 137.539 3.604 5.556 1.00 0.00 H new ATOM 0 HB3 PHE C 26 137.297 5.189 6.263 1.00 0.00 H new ATOM 0 HD1 PHE C 26 137.492 7.232 4.846 1.00 0.00 H new ATOM 0 HD2 PHE C 26 137.820 3.329 3.172 1.00 0.00 H new ATOM 0 HE1 PHE C 26 137.161 8.171 2.600 1.00 0.00 H new ATOM 0 HE2 PHE C 26 137.500 4.261 0.924 1.00 0.00 H new ATOM 0 HZ PHE C 26 137.170 6.692 0.627 1.00 0.00 H new ATOM 1279 N LEU C 27 140.143 3.234 7.786 1.00 0.00 N ATOM 1280 CA LEU C 27 140.348 2.872 9.185 1.00 0.00 C ATOM 1281 C LEU C 27 141.825 2.950 9.561 1.00 0.00 C ATOM 1282 O LEU C 27 142.623 2.184 8.981 1.00 0.00 O ATOM 1283 CB LEU C 27 139.814 1.466 9.455 1.00 0.00 C ATOM 1284 CG LEU C 27 138.553 1.095 8.676 1.00 0.00 C ATOM 1285 CD1 LEU C 27 138.115 -0.313 9.000 1.00 0.00 C ATOM 1286 CD2 LEU C 27 137.415 2.053 8.976 1.00 0.00 C ATOM 1287 OXT LEU C 27 142.171 3.777 10.430 1.00 0.00 O ATOM 0 H LEU C 27 140.515 2.564 7.113 1.00 0.00 H new ATOM 0 HA LEU C 27 139.799 3.585 9.800 1.00 0.00 H new ATOM 0 HB2 LEU C 27 140.596 0.745 9.217 1.00 0.00 H new ATOM 0 HB3 LEU C 27 139.606 1.371 10.521 1.00 0.00 H new ATOM 0 HG LEU C 27 138.800 1.162 7.616 1.00 0.00 H new ATOM 0 HD11 LEU C 27 137.216 -0.554 8.433 1.00 0.00 H new ATOM 0 HD12 LEU C 27 138.909 -1.011 8.735 1.00 0.00 H new ATOM 0 HD13 LEU C 27 137.904 -0.392 10.066 1.00 0.00 H new ATOM 0 HD21 LEU C 27 136.533 1.761 8.406 1.00 0.00 H new ATOM 0 HD22 LEU C 27 137.185 2.022 10.041 1.00 0.00 H new ATOM 0 HD23 LEU C 27 137.708 3.065 8.697 1.00 0.00 H new