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= 0.064 X(o=0.064,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= 0.079 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc=3.21e-05 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot -144:sc= 0.454 USER MOD Single : B 11 GLN : amide:sc= -4.72! C(o=-4.7!,f=-8.4!) USER MOD Single : B 13 TYR OH : rot 163:sc= 0.0672 USER MOD Single : B 16 LYS NZ :NH3+ -175:sc= 0.0945 (180deg=0.0614) 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= -1.52 K(o=-1.5,f=-8.3!) USER MOD Single : C 13 TYR OH : rot -50:sc= -0.372 USER MOD Single : C 16 LYS NZ :NH3+ -157:sc= -2.67! (180deg=-4.95!) 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 2 126.883 -4.812 -11.633 1.00 0.00 N ATOM 11 CA TYR A 2 126.339 -4.036 -10.514 1.00 0.00 C ATOM 12 C TYR A 2 126.006 -4.935 -9.320 1.00 0.00 C ATOM 13 O TYR A 2 125.707 -6.117 -9.489 1.00 0.00 O ATOM 14 CB TYR A 2 125.087 -3.275 -10.947 1.00 0.00 C ATOM 15 CG TYR A 2 125.336 -2.044 -11.800 1.00 0.00 C ATOM 16 CD1 TYR A 2 126.483 -1.906 -12.574 1.00 0.00 C ATOM 17 CD2 TYR A 2 124.401 -1.020 -11.833 1.00 0.00 C ATOM 18 CE1 TYR A 2 126.689 -0.781 -13.351 1.00 0.00 C ATOM 19 CE2 TYR A 2 124.598 0.106 -12.609 1.00 0.00 C ATOM 20 CZ TYR A 2 125.744 0.222 -13.366 1.00 0.00 C ATOM 21 OH TYR A 2 125.946 1.342 -14.140 1.00 0.00 O ATOM 0 HA TYR A 2 127.106 -3.324 -10.207 1.00 0.00 H new ATOM 0 HB2 TYR A 2 124.442 -3.956 -11.502 1.00 0.00 H new ATOM 0 HB3 TYR A 2 124.539 -2.973 -10.054 1.00 0.00 H new ATOM 0 HD1 TYR A 2 127.225 -2.691 -12.568 1.00 0.00 H new ATOM 0 HD2 TYR A 2 123.502 -1.104 -11.241 1.00 0.00 H new ATOM 0 HE1 TYR A 2 127.587 -0.689 -13.944 1.00 0.00 H new ATOM 0 HE2 TYR A 2 123.857 0.892 -12.622 1.00 0.00 H new ATOM 0 HH TYR A 2 125.185 1.952 -14.038 1.00 0.00 H new ATOM 31 N ILE A 3 126.036 -4.364 -8.114 1.00 0.00 N ATOM 32 CA ILE A 3 125.706 -5.116 -6.899 1.00 0.00 C ATOM 33 C ILE A 3 124.241 -5.000 -6.555 1.00 0.00 C ATOM 34 O ILE A 3 123.561 -4.067 -6.982 1.00 0.00 O ATOM 35 CB ILE A 3 126.431 -4.617 -5.642 1.00 0.00 C ATOM 36 CG1 ILE A 3 126.398 -3.100 -5.560 1.00 0.00 C ATOM 37 CG2 ILE A 3 127.850 -5.128 -5.561 1.00 0.00 C ATOM 38 CD1 ILE A 3 127.201 -2.556 -4.406 1.00 0.00 C ATOM 0 H ILE A 3 126.284 -3.388 -7.952 1.00 0.00 H new ATOM 0 HA ILE A 3 126.010 -6.134 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 3 125.894 -5.021 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 3 126.781 -2.683 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 3 125.364 -2.769 -5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 3 128.322 -4.748 -4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 3 127.844 -6.218 -5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 3 128.410 -4.787 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 3 127.139 -1.468 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 3 126.803 -2.947 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 3 128.243 -2.859 -4.512 1.00 0.00 H new ATOM 50 N PRO A 4 123.746 -5.919 -5.721 1.00 0.00 N ATOM 51 CA PRO A 4 122.387 -5.885 -5.263 1.00 0.00 C ATOM 52 C PRO A 4 122.268 -5.052 -3.985 1.00 0.00 C ATOM 53 O PRO A 4 123.225 -4.903 -3.226 1.00 0.00 O ATOM 54 CB PRO A 4 122.049 -7.357 -5.037 1.00 0.00 C ATOM 55 CG PRO A 4 123.374 -8.055 -4.859 1.00 0.00 C ATOM 56 CD PRO A 4 124.471 -7.042 -5.128 1.00 0.00 C ATOM 0 HA PRO A 4 121.700 -5.415 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 4 121.418 -7.484 -4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 4 121.500 -7.768 -5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 4 123.463 -8.455 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 4 123.457 -8.899 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 4 124.985 -6.751 -4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 4 125.227 -7.437 -5.806 1.00 0.00 H new ATOM 64 N GLU A 5 121.088 -4.469 -3.803 1.00 0.00 N ATOM 65 CA GLU A 5 120.796 -3.584 -2.680 1.00 0.00 C ATOM 66 C GLU A 5 121.022 -4.253 -1.320 1.00 0.00 C ATOM 67 O GLU A 5 120.734 -5.434 -1.130 1.00 0.00 O ATOM 68 CB GLU A 5 119.349 -3.083 -2.792 1.00 0.00 C ATOM 69 CG GLU A 5 118.794 -2.460 -1.519 1.00 0.00 C ATOM 70 CD GLU A 5 118.647 -0.952 -1.607 1.00 0.00 C ATOM 71 OE1 GLU A 5 117.813 -0.481 -2.408 1.00 0.00 O ATOM 72 OE2 GLU A 5 119.375 -0.243 -0.871 1.00 0.00 O ATOM 0 H GLU A 5 120.299 -4.598 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 5 121.491 -2.746 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 5 119.294 -2.348 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 5 118.711 -3.918 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 5 117.822 -2.901 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 5 119.451 -2.707 -0.685 1.00 0.00 H new ATOM 79 N ALA A 6 121.532 -3.457 -0.376 1.00 0.00 N ATOM 80 CA ALA A 6 121.800 -3.916 0.986 1.00 0.00 C ATOM 81 C ALA A 6 120.545 -3.838 1.863 1.00 0.00 C ATOM 82 O ALA A 6 119.561 -3.191 1.506 1.00 0.00 O ATOM 83 CB ALA A 6 122.932 -3.099 1.601 1.00 0.00 C ATOM 0 H ALA A 6 121.770 -2.478 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 6 122.102 -4.962 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 6 123.124 -3.449 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 6 123.834 -3.217 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 6 122.649 -2.047 1.628 1.00 0.00 H new ATOM 89 N PRO A 7 120.575 -4.510 3.028 1.00 0.00 N ATOM 90 CA PRO A 7 119.451 -4.536 3.982 1.00 0.00 C ATOM 91 C PRO A 7 119.086 -3.152 4.521 1.00 0.00 C ATOM 92 O PRO A 7 119.927 -2.255 4.576 1.00 0.00 O ATOM 93 CB PRO A 7 119.972 -5.409 5.133 1.00 0.00 C ATOM 94 CG PRO A 7 121.121 -6.172 4.571 1.00 0.00 C ATOM 95 CD PRO A 7 121.719 -5.304 3.504 1.00 0.00 C ATOM 0 HA PRO A 7 118.545 -4.908 3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 7 120.285 -4.796 5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 7 119.195 -6.082 5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 7 121.854 -6.398 5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 7 120.790 -7.125 4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 7 122.512 -4.669 3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 7 122.157 -5.898 2.702 1.00 0.00 H new ATOM 103 N ARG A 8 117.825 -2.990 4.928 1.00 0.00 N ATOM 104 CA ARG A 8 117.342 -1.723 5.477 1.00 0.00 C ATOM 105 C ARG A 8 117.018 -1.854 6.951 1.00 0.00 C ATOM 106 O ARG A 8 115.856 -1.812 7.356 1.00 0.00 O ATOM 107 CB ARG A 8 116.114 -1.257 4.740 1.00 0.00 C ATOM 108 CG ARG A 8 116.415 -0.226 3.670 1.00 0.00 C ATOM 109 CD ARG A 8 115.659 -0.508 2.391 1.00 0.00 C ATOM 110 NE ARG A 8 114.220 -0.638 2.618 1.00 0.00 N ATOM 111 CZ ARG A 8 113.429 0.372 2.979 1.00 0.00 C ATOM 112 NH1 ARG A 8 113.925 1.594 3.129 1.00 0.00 N ATOM 113 NH2 ARG A 8 112.136 0.159 3.184 1.00 0.00 N ATOM 0 H ARG A 8 117.118 -3.724 4.887 1.00 0.00 H new ATOM 0 HA ARG A 8 118.139 -0.990 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 8 115.626 -2.116 4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 8 115.408 -0.834 5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 8 116.152 0.766 4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 8 117.486 -0.216 3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 8 115.842 0.296 1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 8 116.039 -1.425 1.941 1.00 0.00 H new ATOM 0 HE ARG A 8 113.796 -1.557 2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 8 114.918 1.765 2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 8 113.314 2.362 3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 8 111.748 -0.777 3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 8 111.529 0.931 3.460 1.00 0.00 H new ATOM 127 N ASP A 9 118.048 -2.005 7.744 1.00 0.00 N ATOM 128 CA ASP A 9 117.881 -2.132 9.177 1.00 0.00 C ATOM 129 C ASP A 9 118.481 -0.934 9.907 1.00 0.00 C ATOM 130 O ASP A 9 118.688 -0.981 11.120 1.00 0.00 O ATOM 131 CB ASP A 9 118.552 -3.403 9.694 1.00 0.00 C ATOM 132 CG ASP A 9 120.033 -3.447 9.373 1.00 0.00 C ATOM 133 OD1 ASP A 9 120.441 -2.834 8.365 1.00 0.00 O ATOM 134 OD2 ASP A 9 120.784 -4.097 10.130 1.00 0.00 O ATOM 0 H ASP A 9 119.016 -2.044 7.424 1.00 0.00 H new ATOM 0 HA ASP A 9 116.810 -2.178 9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 9 118.415 -3.470 10.773 1.00 0.00 H new ATOM 0 HB3 ASP A 9 118.062 -4.273 9.256 1.00 0.00 H new ATOM 139 N GLY A 10 118.765 0.134 9.171 1.00 0.00 N ATOM 140 CA GLY A 10 119.344 1.311 9.789 1.00 0.00 C ATOM 141 C GLY A 10 120.825 1.151 10.023 1.00 0.00 C ATOM 142 O GLY A 10 121.416 1.900 10.798 1.00 0.00 O ATOM 0 H GLY A 10 118.606 0.206 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 10 119.168 2.179 9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 10 118.845 1.505 10.738 1.00 0.00 H new ATOM 146 N GLN A 11 121.421 0.153 9.377 1.00 0.00 N ATOM 147 CA GLN A 11 122.840 -0.110 9.534 1.00 0.00 C ATOM 148 C GLN A 11 123.581 0.110 8.237 1.00 0.00 C ATOM 149 O GLN A 11 123.024 -0.063 7.155 1.00 0.00 O ATOM 150 CB GLN A 11 123.077 -1.537 10.014 1.00 0.00 C ATOM 151 CG GLN A 11 123.658 -1.616 11.418 1.00 0.00 C ATOM 152 CD GLN A 11 122.603 -1.589 12.476 1.00 0.00 C ATOM 153 OE1 GLN A 11 122.486 -0.629 13.237 1.00 0.00 O ATOM 154 NE2 GLN A 11 121.821 -2.649 12.533 1.00 0.00 N ATOM 0 H GLN A 11 120.940 -0.484 8.742 1.00 0.00 H new ATOM 0 HA GLN A 11 123.219 0.588 10.281 1.00 0.00 H new ATOM 0 HB2 GLN A 11 122.133 -2.082 9.989 1.00 0.00 H new ATOM 0 HB3 GLN A 11 123.753 -2.038 9.321 1.00 0.00 H new ATOM 0 HG2 GLN A 11 124.242 -2.531 11.515 1.00 0.00 H new ATOM 0 HG3 GLN A 11 124.343 -0.783 11.572 1.00 0.00 H new ATOM 0 HE21 GLN A 11 121.958 -3.420 11.879 1.00 0.00 H new ATOM 0 HE22 GLN A 11 121.079 -2.698 13.231 1.00 0.00 H new ATOM 163 N ALA A 12 124.846 0.488 8.355 1.00 0.00 N ATOM 164 CA ALA A 12 125.687 0.739 7.206 1.00 0.00 C ATOM 165 C ALA A 12 126.426 -0.503 6.807 1.00 0.00 C ATOM 166 O ALA A 12 126.949 -1.241 7.640 1.00 0.00 O ATOM 167 CB ALA A 12 126.651 1.871 7.504 1.00 0.00 C ATOM 0 H ALA A 12 125.313 0.628 9.251 1.00 0.00 H new ATOM 0 HA ALA A 12 125.055 1.034 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 12 127.280 2.052 6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 12 126.089 2.775 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 12 127.278 1.601 8.354 1.00 0.00 H new ATOM 173 N TYR A 13 126.449 -0.725 5.515 1.00 0.00 N ATOM 174 CA TYR A 13 127.101 -1.875 4.963 1.00 0.00 C ATOM 175 C TYR A 13 128.244 -1.479 4.065 1.00 0.00 C ATOM 176 O TYR A 13 128.254 -0.422 3.436 1.00 0.00 O ATOM 177 CB TYR A 13 126.127 -2.721 4.178 1.00 0.00 C ATOM 178 CG TYR A 13 125.229 -3.505 5.080 1.00 0.00 C ATOM 179 CD1 TYR A 13 125.727 -4.575 5.779 1.00 0.00 C ATOM 180 CD2 TYR A 13 123.914 -3.156 5.261 1.00 0.00 C ATOM 181 CE1 TYR A 13 124.941 -5.291 6.641 1.00 0.00 C ATOM 182 CE2 TYR A 13 123.104 -3.862 6.130 1.00 0.00 C ATOM 183 CZ TYR A 13 123.626 -4.932 6.820 1.00 0.00 C ATOM 184 OH TYR A 13 122.831 -5.645 7.688 1.00 0.00 O ATOM 0 H TYR A 13 126.016 -0.113 4.823 1.00 0.00 H new ATOM 0 HA TYR A 13 127.492 -2.454 5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 13 125.526 -2.081 3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 13 126.677 -3.402 3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 13 126.761 -4.858 5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 13 123.506 -2.317 4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 13 125.352 -6.133 7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 13 122.071 -3.577 6.266 1.00 0.00 H new ATOM 0 HH TYR A 13 121.930 -5.260 7.698 1.00 0.00 H new ATOM 194 N VAL A 14 129.179 -2.372 4.019 1.00 0.00 N ATOM 195 CA VAL A 14 130.370 -2.255 3.223 1.00 0.00 C ATOM 196 C VAL A 14 130.245 -3.332 2.168 1.00 0.00 C ATOM 197 O VAL A 14 129.544 -4.321 2.394 1.00 0.00 O ATOM 198 CB VAL A 14 131.573 -2.475 4.167 1.00 0.00 C ATOM 199 CG1 VAL A 14 132.829 -1.697 3.801 1.00 0.00 C ATOM 200 CG2 VAL A 14 131.122 -2.085 5.569 1.00 0.00 C ATOM 0 H VAL A 14 129.138 -3.239 4.554 1.00 0.00 H new ATOM 0 HA VAL A 14 130.507 -1.288 2.740 1.00 0.00 H new ATOM 0 HB VAL A 14 131.861 -3.523 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 14 133.617 -1.918 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 14 133.159 -1.987 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 14 132.613 -0.629 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 14 131.946 -2.226 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 14 130.816 -1.039 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 14 130.281 -2.711 5.868 1.00 0.00 H new ATOM 210 N ARG A 15 130.851 -3.159 1.015 1.00 0.00 N ATOM 211 CA ARG A 15 130.688 -4.159 -0.020 1.00 0.00 C ATOM 212 C ARG A 15 131.969 -4.975 -0.109 1.00 0.00 C ATOM 213 O ARG A 15 133.010 -4.514 -0.575 1.00 0.00 O ATOM 214 CB ARG A 15 130.317 -3.453 -1.344 1.00 0.00 C ATOM 215 CG ARG A 15 129.214 -4.067 -2.223 1.00 0.00 C ATOM 216 CD ARG A 15 128.725 -5.437 -1.795 1.00 0.00 C ATOM 217 NE ARG A 15 128.557 -6.368 -2.924 1.00 0.00 N ATOM 218 CZ ARG A 15 127.446 -7.089 -3.132 1.00 0.00 C ATOM 219 NH1 ARG A 15 126.402 -6.954 -2.323 1.00 0.00 N ATOM 220 NH2 ARG A 15 127.362 -7.950 -4.134 1.00 0.00 N ATOM 0 H ARG A 15 131.443 -2.364 0.773 1.00 0.00 H new ATOM 0 HA ARG A 15 129.878 -4.852 0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 15 130.018 -2.433 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 15 131.222 -3.385 -1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 15 128.364 -3.385 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 15 129.585 -4.136 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 15 129.432 -5.863 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 15 127.773 -5.331 -1.275 1.00 0.00 H new ATOM 0 HE ARG A 15 129.328 -6.470 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 15 126.444 -6.300 -1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 15 125.558 -7.504 -2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 15 128.152 -8.075 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 15 126.507 -8.488 -4.274 1.00 0.00 H new ATOM 234 N LYS A 16 131.846 -6.210 0.384 1.00 0.00 N ATOM 235 CA LYS A 16 132.942 -7.167 0.429 1.00 0.00 C ATOM 236 C LYS A 16 132.478 -8.552 0.007 1.00 0.00 C ATOM 237 O LYS A 16 131.559 -9.104 0.611 1.00 0.00 O ATOM 238 CB LYS A 16 133.514 -7.182 1.848 1.00 0.00 C ATOM 239 CG LYS A 16 133.910 -8.540 2.410 1.00 0.00 C ATOM 240 CD LYS A 16 134.097 -8.421 3.914 1.00 0.00 C ATOM 241 CE LYS A 16 135.304 -9.173 4.425 1.00 0.00 C ATOM 242 NZ LYS A 16 135.574 -8.883 5.861 1.00 0.00 N ATOM 0 H LYS A 16 130.972 -6.572 0.766 1.00 0.00 H new ATOM 0 HA LYS A 16 133.719 -6.868 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 16 134.392 -6.536 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 16 132.777 -6.739 2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 16 133.141 -9.279 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 16 134.832 -8.886 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 16 134.194 -7.368 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 16 133.205 -8.795 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 16 135.146 -10.244 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 16 136.177 -8.905 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 136.565 -9.110 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 135.399 -7.875 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 134.947 -9.461 6.456 1.00 0.00 H new ATOM 256 N ASP A 17 133.129 -9.143 -0.980 1.00 0.00 N ATOM 257 CA ASP A 17 132.782 -10.485 -1.397 1.00 0.00 C ATOM 258 C ASP A 17 131.322 -10.597 -1.824 1.00 0.00 C ATOM 259 O ASP A 17 130.629 -11.549 -1.461 1.00 0.00 O ATOM 260 CB ASP A 17 133.085 -11.459 -0.259 1.00 0.00 C ATOM 261 CG ASP A 17 134.069 -12.525 -0.679 1.00 0.00 C ATOM 262 OD1 ASP A 17 135.026 -12.182 -1.402 1.00 0.00 O ATOM 263 OD2 ASP A 17 133.884 -13.697 -0.289 1.00 0.00 O ATOM 0 H ASP A 17 133.894 -8.717 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 17 133.384 -10.736 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 17 133.486 -10.909 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 17 132.159 -11.929 0.073 1.00 0.00 H new ATOM 268 N GLY A 18 130.868 -9.639 -2.618 1.00 0.00 N ATOM 269 CA GLY A 18 129.508 -9.653 -3.114 1.00 0.00 C ATOM 270 C GLY A 18 128.445 -9.567 -2.031 1.00 0.00 C ATOM 271 O GLY A 18 127.274 -9.836 -2.299 1.00 0.00 O ATOM 0 H GLY A 18 131.425 -8.844 -2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 18 129.376 -8.818 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 18 129.352 -10.567 -3.687 1.00 0.00 H new ATOM 275 N GLU A 19 128.829 -9.205 -0.809 1.00 0.00 N ATOM 276 CA GLU A 19 127.857 -9.113 0.267 1.00 0.00 C ATOM 277 C GLU A 19 127.971 -7.806 1.020 1.00 0.00 C ATOM 278 O GLU A 19 128.988 -7.115 0.957 1.00 0.00 O ATOM 279 CB GLU A 19 128.049 -10.265 1.241 1.00 0.00 C ATOM 280 CG GLU A 19 127.475 -11.585 0.753 1.00 0.00 C ATOM 281 CD GLU A 19 127.109 -12.519 1.891 1.00 0.00 C ATOM 282 OE1 GLU A 19 127.994 -12.825 2.717 1.00 0.00 O ATOM 283 OE2 GLU A 19 125.936 -12.943 1.956 1.00 0.00 O ATOM 0 H GLU A 19 129.788 -8.976 -0.546 1.00 0.00 H new ATOM 0 HA GLU A 19 126.867 -9.162 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.114 -10.392 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.582 -10.006 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 19 126.589 -11.390 0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 19 128.201 -12.075 0.105 1.00 0.00 H new ATOM 290 N TRP A 20 126.912 -7.488 1.745 1.00 0.00 N ATOM 291 CA TRP A 20 126.868 -6.279 2.536 1.00 0.00 C ATOM 292 C TRP A 20 127.249 -6.585 3.969 1.00 0.00 C ATOM 293 O TRP A 20 126.529 -7.286 4.680 1.00 0.00 O ATOM 294 CB TRP A 20 125.488 -5.624 2.484 1.00 0.00 C ATOM 295 CG TRP A 20 125.220 -5.068 1.134 1.00 0.00 C ATOM 296 CD1 TRP A 20 124.274 -5.451 0.228 1.00 0.00 C ATOM 297 CD2 TRP A 20 125.965 -4.025 0.528 1.00 0.00 C ATOM 298 NE1 TRP A 20 124.387 -4.683 -0.910 1.00 0.00 N ATOM 299 CE2 TRP A 20 125.421 -3.804 -0.741 1.00 0.00 C ATOM 300 CE3 TRP A 20 127.045 -3.251 0.948 1.00 0.00 C ATOM 301 CZ2 TRP A 20 125.922 -2.841 -1.594 1.00 0.00 C ATOM 302 CZ3 TRP A 20 127.542 -2.297 0.098 1.00 0.00 C ATOM 303 CH2 TRP A 20 126.980 -2.097 -1.161 1.00 0.00 C ATOM 0 H TRP A 20 126.068 -8.058 1.799 1.00 0.00 H new ATOM 0 HA TRP A 20 127.585 -5.575 2.114 1.00 0.00 H new ATOM 0 HB2 TRP A 20 124.723 -6.357 2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 20 125.429 -4.830 3.228 1.00 0.00 H new ATOM 0 HD1 TRP A 20 123.548 -6.236 0.380 1.00 0.00 H new ATOM 0 HE1 TRP A 20 123.798 -4.757 -1.740 1.00 0.00 H new ATOM 0 HE3 TRP A 20 127.482 -3.400 1.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 125.491 -2.682 -2.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 128.381 -1.692 0.409 1.00 0.00 H new ATOM 0 HH2 TRP A 20 127.391 -1.336 -1.808 1.00 0.00 H new ATOM 314 N VAL A 21 128.377 -6.046 4.395 1.00 0.00 N ATOM 315 CA VAL A 21 128.839 -6.255 5.755 1.00 0.00 C ATOM 316 C VAL A 21 128.772 -4.972 6.522 1.00 0.00 C ATOM 317 O VAL A 21 129.092 -3.905 6.019 1.00 0.00 O ATOM 318 CB VAL A 21 130.282 -6.773 5.851 1.00 0.00 C ATOM 319 CG1 VAL A 21 130.573 -7.234 7.272 1.00 0.00 C ATOM 320 CG2 VAL A 21 130.577 -7.898 4.868 1.00 0.00 C ATOM 0 H VAL A 21 128.987 -5.463 3.822 1.00 0.00 H new ATOM 0 HA VAL A 21 128.178 -7.016 6.170 1.00 0.00 H new ATOM 0 HB VAL A 21 130.936 -5.942 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 21 131.598 -7.600 7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 21 130.445 -6.398 7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 21 129.885 -8.035 7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 21 131.612 -8.221 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 21 129.910 -8.738 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 21 130.421 -7.542 3.850 1.00 0.00 H new ATOM 330 N LEU A 22 128.343 -5.099 7.744 1.00 0.00 N ATOM 331 CA LEU A 22 128.210 -3.975 8.628 1.00 0.00 C ATOM 332 C LEU A 22 129.511 -3.203 8.770 1.00 0.00 C ATOM 333 O LEU A 22 130.555 -3.764 9.100 1.00 0.00 O ATOM 334 CB LEU A 22 127.718 -4.459 9.964 1.00 0.00 C ATOM 335 CG LEU A 22 126.275 -4.069 10.263 1.00 0.00 C ATOM 336 CD1 LEU A 22 125.989 -4.199 11.735 1.00 0.00 C ATOM 337 CD2 LEU A 22 125.984 -2.649 9.789 1.00 0.00 C ATOM 0 H LEU A 22 128.073 -5.991 8.159 1.00 0.00 H new ATOM 0 HA LEU A 22 127.486 -3.281 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 22 127.807 -5.545 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 22 128.363 -4.058 10.746 1.00 0.00 H new ATOM 0 HG LEU A 22 125.621 -4.750 9.718 1.00 0.00 H new ATOM 0 HD11 LEU A 22 124.955 -3.917 11.931 1.00 0.00 H new ATOM 0 HD12 LEU A 22 126.149 -5.231 12.047 1.00 0.00 H new ATOM 0 HD13 LEU A 22 126.656 -3.543 12.295 1.00 0.00 H new ATOM 0 HD21 LEU A 22 124.948 -2.395 10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 22 126.648 -1.952 10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 22 126.148 -2.584 8.713 1.00 0.00 H new ATOM 349 N LEU A 23 129.424 -1.906 8.529 1.00 0.00 N ATOM 350 CA LEU A 23 130.570 -1.016 8.634 1.00 0.00 C ATOM 351 C LEU A 23 131.149 -1.026 10.036 1.00 0.00 C ATOM 352 O LEU A 23 132.365 -1.027 10.221 1.00 0.00 O ATOM 353 CB LEU A 23 130.137 0.404 8.300 1.00 0.00 C ATOM 354 CG LEU A 23 131.197 1.507 8.490 1.00 0.00 C ATOM 355 CD1 LEU A 23 132.582 1.038 8.101 1.00 0.00 C ATOM 356 CD2 LEU A 23 130.843 2.736 7.679 1.00 0.00 C ATOM 0 H LEU A 23 128.559 -1.440 8.255 1.00 0.00 H new ATOM 0 HA LEU A 23 131.332 -1.363 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 23 129.805 0.425 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 23 129.273 0.651 8.916 1.00 0.00 H new ATOM 0 HG LEU A 23 131.204 1.755 9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 23 133.296 1.848 8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 23 132.865 0.186 8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 23 132.585 0.742 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.604 3.502 7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.794 2.473 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.875 3.119 8.002 1.00 0.00 H new ATOM 368 N SER A 24 130.275 -0.998 11.028 1.00 0.00 N ATOM 369 CA SER A 24 130.709 -0.961 12.418 1.00 0.00 C ATOM 370 C SER A 24 131.484 -2.217 12.776 1.00 0.00 C ATOM 371 O SER A 24 132.266 -2.216 13.727 1.00 0.00 O ATOM 372 CB SER A 24 129.506 -0.812 13.351 1.00 0.00 C ATOM 373 OG SER A 24 128.567 0.108 12.824 1.00 0.00 O ATOM 0 H SER A 24 129.263 -1.000 10.899 1.00 0.00 H new ATOM 0 HA SER A 24 131.364 -0.099 12.542 1.00 0.00 H new ATOM 0 HB2 SER A 24 129.030 -1.782 13.494 1.00 0.00 H new ATOM 0 HB3 SER A 24 129.841 -0.474 14.332 1.00 0.00 H new ATOM 0 HG SER A 24 127.806 0.186 13.437 1.00 0.00 H new ATOM 379 N THR A 25 131.322 -3.270 11.985 1.00 0.00 N ATOM 380 CA THR A 25 132.086 -4.480 12.230 1.00 0.00 C ATOM 381 C THR A 25 133.555 -4.206 11.892 1.00 0.00 C ATOM 382 O THR A 25 134.459 -4.934 12.303 1.00 0.00 O ATOM 383 CB THR A 25 131.549 -5.648 11.393 1.00 0.00 C ATOM 384 OG1 THR A 25 130.287 -6.067 11.878 1.00 0.00 O ATOM 385 CG2 THR A 25 132.451 -6.863 11.363 1.00 0.00 C ATOM 0 H THR A 25 130.685 -3.310 11.189 1.00 0.00 H new ATOM 0 HA THR A 25 131.993 -4.761 13.279 1.00 0.00 H new ATOM 0 HB THR A 25 131.485 -5.254 10.379 1.00 0.00 H new ATOM 0 HG1 THR A 25 129.958 -6.811 11.332 1.00 0.00 H new ATOM 0 HG21 THR A 25 131.995 -7.640 10.749 1.00 0.00 H new ATOM 0 HG22 THR A 25 133.418 -6.588 10.941 1.00 0.00 H new ATOM 0 HG23 THR A 25 132.591 -7.237 12.377 1.00 0.00 H new ATOM 393 N PHE A 26 133.762 -3.136 11.119 1.00 0.00 N ATOM 394 CA PHE A 26 135.087 -2.712 10.673 1.00 0.00 C ATOM 395 C PHE A 26 135.648 -1.603 11.557 1.00 0.00 C ATOM 396 O PHE A 26 136.742 -1.096 11.314 1.00 0.00 O ATOM 397 CB PHE A 26 134.999 -2.251 9.217 1.00 0.00 C ATOM 398 CG PHE A 26 134.774 -3.410 8.276 1.00 0.00 C ATOM 399 CD1 PHE A 26 133.486 -3.814 7.971 1.00 0.00 C ATOM 400 CD2 PHE A 26 135.837 -4.103 7.713 1.00 0.00 C ATOM 401 CE1 PHE A 26 133.255 -4.884 7.128 1.00 0.00 C ATOM 402 CE2 PHE A 26 135.616 -5.176 6.864 1.00 0.00 C ATOM 403 CZ PHE A 26 134.324 -5.572 6.569 1.00 0.00 C ATOM 0 H PHE A 26 133.007 -2.537 10.784 1.00 0.00 H new ATOM 0 HA PHE A 26 135.770 -3.558 10.750 1.00 0.00 H new ATOM 0 HB2 PHE A 26 134.185 -1.533 9.111 1.00 0.00 H new ATOM 0 HB3 PHE A 26 135.918 -1.733 8.943 1.00 0.00 H new ATOM 0 HD1 PHE A 26 132.648 -3.284 8.399 1.00 0.00 H new ATOM 0 HD2 PHE A 26 136.849 -3.802 7.939 1.00 0.00 H new ATOM 0 HE1 PHE A 26 132.243 -5.186 6.904 1.00 0.00 H new ATOM 0 HE2 PHE A 26 136.454 -5.704 6.432 1.00 0.00 H new ATOM 0 HZ PHE A 26 134.148 -6.409 5.910 1.00 0.00 H new ATOM 413 N LEU A 27 134.895 -1.235 12.585 1.00 0.00 N ATOM 414 CA LEU A 27 135.320 -0.192 13.504 1.00 0.00 C ATOM 415 C LEU A 27 135.810 -0.787 14.820 1.00 0.00 C ATOM 416 O LEU A 27 136.973 -0.521 15.191 1.00 0.00 O ATOM 417 CB LEU A 27 134.167 0.768 13.766 1.00 0.00 C ATOM 418 CG LEU A 27 133.694 1.586 12.560 1.00 0.00 C ATOM 419 CD1 LEU A 27 133.821 3.057 12.829 1.00 0.00 C ATOM 420 CD2 LEU A 27 134.470 1.284 11.299 1.00 0.00 C ATOM 421 OXT LEU A 27 135.028 -1.513 15.469 1.00 0.00 O ATOM 0 H LEU A 27 133.986 -1.645 12.802 1.00 0.00 H new ATOM 0 HA LEU A 27 136.147 0.350 13.046 1.00 0.00 H new ATOM 0 HB2 LEU A 27 133.321 0.195 14.147 1.00 0.00 H new ATOM 0 HB3 LEU A 27 134.466 1.458 14.555 1.00 0.00 H new ATOM 0 HG LEU A 27 132.652 1.303 12.408 1.00 0.00 H new ATOM 0 HD11 LEU A 27 133.479 3.617 11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 27 133.212 3.323 13.693 1.00 0.00 H new ATOM 0 HD13 LEU A 27 134.864 3.301 13.031 1.00 0.00 H new ATOM 0 HD21 LEU A 27 134.088 1.895 10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 27 135.525 1.509 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 27 134.358 0.229 11.047 1.00 0.00 H new ATOM 434 N GLY B 1 116.407 -5.264 -4.585 1.00 0.00 N ATOM 435 CA GLY B 1 117.261 -6.050 -5.516 1.00 0.00 C ATOM 436 C GLY B 1 118.612 -5.408 -5.746 1.00 0.00 C ATOM 437 O GLY B 1 119.642 -5.966 -5.367 1.00 0.00 O ATOM 0 H1 GLY B 1 115.494 -5.746 -4.461 1.00 0.00 H new ATOM 0 H2 GLY B 1 116.883 -5.181 -3.664 1.00 0.00 H new ATOM 0 H3 GLY B 1 116.247 -4.315 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY B 1 117.403 -7.053 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY B 1 116.747 -6.159 -6.471 1.00 0.00 H new ATOM 443 N TYR B 2 118.616 -4.231 -6.367 1.00 0.00 N ATOM 444 CA TYR B 2 119.858 -3.519 -6.643 1.00 0.00 C ATOM 445 C TYR B 2 119.775 -2.066 -6.166 1.00 0.00 C ATOM 446 O TYR B 2 118.725 -1.431 -6.263 1.00 0.00 O ATOM 447 CB TYR B 2 120.178 -3.564 -8.132 1.00 0.00 C ATOM 448 CG TYR B 2 121.051 -4.730 -8.554 1.00 0.00 C ATOM 449 CD1 TYR B 2 120.743 -6.035 -8.185 1.00 0.00 C ATOM 450 CD2 TYR B 2 122.180 -4.522 -9.338 1.00 0.00 C ATOM 451 CE1 TYR B 2 121.538 -7.095 -8.580 1.00 0.00 C ATOM 452 CE2 TYR B 2 122.976 -5.577 -9.738 1.00 0.00 C ATOM 453 CZ TYR B 2 122.653 -6.861 -9.356 1.00 0.00 C ATOM 454 OH TYR B 2 123.445 -7.914 -9.754 1.00 0.00 O ATOM 0 H TYR B 2 117.774 -3.752 -6.687 1.00 0.00 H new ATOM 0 HA TYR B 2 120.659 -4.015 -6.095 1.00 0.00 H new ATOM 0 HB2 TYR B 2 119.243 -3.606 -8.690 1.00 0.00 H new ATOM 0 HB3 TYR B 2 120.675 -2.635 -8.412 1.00 0.00 H new ATOM 0 HD1 TYR B 2 119.868 -6.224 -7.580 1.00 0.00 H new ATOM 0 HD2 TYR B 2 122.439 -3.518 -9.639 1.00 0.00 H new ATOM 0 HE1 TYR B 2 121.286 -8.102 -8.282 1.00 0.00 H new ATOM 0 HE2 TYR B 2 123.849 -5.396 -10.348 1.00 0.00 H new ATOM 0 HH TYR B 2 124.384 -7.632 -9.763 1.00 0.00 H new ATOM 464 N ILE B 3 120.890 -1.548 -5.653 1.00 0.00 N ATOM 465 CA ILE B 3 120.947 -0.168 -5.161 1.00 0.00 C ATOM 466 C ILE B 3 121.340 0.812 -6.251 1.00 0.00 C ATOM 467 O ILE B 3 121.972 0.440 -7.241 1.00 0.00 O ATOM 468 CB ILE B 3 121.946 0.036 -4.007 1.00 0.00 C ATOM 469 CG1 ILE B 3 123.253 -0.701 -4.265 1.00 0.00 C ATOM 470 CG2 ILE B 3 121.354 -0.365 -2.683 1.00 0.00 C ATOM 471 CD1 ILE B 3 124.217 -0.686 -3.097 1.00 0.00 C ATOM 0 H ILE B 3 121.767 -2.061 -5.566 1.00 0.00 H new ATOM 0 HA ILE B 3 119.934 0.022 -4.806 1.00 0.00 H new ATOM 0 HB ILE B 3 122.168 1.102 -3.960 1.00 0.00 H new ATOM 0 HG12 ILE B 3 123.028 -1.736 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE B 3 123.743 -0.256 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE B 3 122.088 -0.207 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE B 3 120.469 0.239 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE B 3 121.075 -1.418 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE B 3 125.121 -1.233 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE B 3 124.475 0.344 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE B 3 123.749 -1.159 -2.233 1.00 0.00 H new ATOM 483 N PRO B 4 121.000 2.095 -6.061 1.00 0.00 N ATOM 484 CA PRO B 4 121.344 3.143 -6.999 1.00 0.00 C ATOM 485 C PRO B 4 122.728 3.715 -6.700 1.00 0.00 C ATOM 486 O PRO B 4 123.208 3.670 -5.567 1.00 0.00 O ATOM 487 CB PRO B 4 120.239 4.167 -6.786 1.00 0.00 C ATOM 488 CG PRO B 4 119.863 4.025 -5.340 1.00 0.00 C ATOM 489 CD PRO B 4 120.280 2.634 -4.896 1.00 0.00 C ATOM 0 HA PRO B 4 121.404 2.803 -8.033 1.00 0.00 H new ATOM 0 HB2 PRO B 4 120.586 5.176 -7.008 1.00 0.00 H new ATOM 0 HB3 PRO B 4 119.387 3.972 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO B 4 120.361 4.785 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO B 4 118.790 4.165 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO B 4 120.918 2.670 -4.013 1.00 0.00 H new ATOM 0 HD3 PRO B 4 119.416 2.020 -4.640 1.00 0.00 H new ATOM 497 N GLU B 5 123.374 4.205 -7.752 1.00 0.00 N ATOM 498 CA GLU B 5 124.721 4.740 -7.669 1.00 0.00 C ATOM 499 C GLU B 5 124.828 5.890 -6.660 1.00 0.00 C ATOM 500 O GLU B 5 123.918 6.708 -6.527 1.00 0.00 O ATOM 501 CB GLU B 5 125.174 5.190 -9.062 1.00 0.00 C ATOM 502 CG GLU B 5 126.468 5.985 -9.079 1.00 0.00 C ATOM 503 CD GLU B 5 127.646 5.193 -9.618 1.00 0.00 C ATOM 504 OE1 GLU B 5 127.662 4.900 -10.832 1.00 0.00 O ATOM 505 OE2 GLU B 5 128.557 4.864 -8.815 1.00 0.00 O ATOM 0 H GLU B 5 122.973 4.241 -8.689 1.00 0.00 H new ATOM 0 HA GLU B 5 125.379 3.950 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU B 5 125.296 4.309 -9.692 1.00 0.00 H new ATOM 0 HB3 GLU B 5 124.385 5.795 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU B 5 126.330 6.879 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU B 5 126.695 6.320 -8.067 1.00 0.00 H new ATOM 512 N ALA B 6 125.957 5.926 -5.948 1.00 0.00 N ATOM 513 CA ALA B 6 126.223 6.948 -4.937 1.00 0.00 C ATOM 514 C ALA B 6 126.785 8.239 -5.543 1.00 0.00 C ATOM 515 O ALA B 6 127.205 8.267 -6.700 1.00 0.00 O ATOM 516 CB ALA B 6 127.185 6.406 -3.891 1.00 0.00 C ATOM 0 H ALA B 6 126.711 5.248 -6.057 1.00 0.00 H new ATOM 0 HA ALA B 6 125.269 7.197 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA B 6 127.378 7.174 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA B 6 126.745 5.532 -3.410 1.00 0.00 H new ATOM 0 HB3 ALA B 6 128.122 6.123 -4.370 1.00 0.00 H new ATOM 522 N PRO B 7 126.802 9.326 -4.744 1.00 0.00 N ATOM 523 CA PRO B 7 127.317 10.639 -5.170 1.00 0.00 C ATOM 524 C PRO B 7 128.806 10.602 -5.515 1.00 0.00 C ATOM 525 O PRO B 7 129.558 9.794 -4.969 1.00 0.00 O ATOM 526 CB PRO B 7 127.088 11.543 -3.949 1.00 0.00 C ATOM 527 CG PRO B 7 126.121 10.813 -3.080 1.00 0.00 C ATOM 528 CD PRO B 7 126.324 9.351 -3.354 1.00 0.00 C ATOM 0 HA PRO B 7 126.816 10.984 -6.075 1.00 0.00 H new ATOM 0 HB2 PRO B 7 128.023 11.732 -3.421 1.00 0.00 H new ATOM 0 HB3 PRO B 7 126.690 12.512 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO B 7 126.297 11.039 -2.028 1.00 0.00 H new ATOM 0 HG3 PRO B 7 125.097 11.111 -3.303 1.00 0.00 H new ATOM 0 HD2 PRO B 7 127.051 8.912 -2.671 1.00 0.00 H new ATOM 0 HD3 PRO B 7 125.398 8.788 -3.238 1.00 0.00 H new ATOM 536 N ARG B 8 129.223 11.481 -6.425 1.00 0.00 N ATOM 537 CA ARG B 8 130.621 11.555 -6.849 1.00 0.00 C ATOM 538 C ARG B 8 131.280 12.858 -6.410 1.00 0.00 C ATOM 539 O ARG B 8 131.746 13.643 -7.237 1.00 0.00 O ATOM 540 CB ARG B 8 130.706 11.411 -8.352 1.00 0.00 C ATOM 541 CG ARG B 8 130.740 9.966 -8.826 1.00 0.00 C ATOM 542 CD ARG B 8 129.464 9.586 -9.537 1.00 0.00 C ATOM 543 NE ARG B 8 129.617 8.381 -10.349 1.00 0.00 N ATOM 544 CZ ARG B 8 130.418 8.293 -11.410 1.00 0.00 C ATOM 545 NH1 ARG B 8 131.128 9.341 -11.807 1.00 0.00 N ATOM 546 NH2 ARG B 8 130.503 7.151 -12.080 1.00 0.00 N ATOM 0 H ARG B 8 128.610 12.154 -6.885 1.00 0.00 H new ATOM 0 HA ARG B 8 131.160 10.738 -6.369 1.00 0.00 H new ATOM 0 HB2 ARG B 8 129.851 11.913 -8.805 1.00 0.00 H new ATOM 0 HB3 ARG B 8 131.601 11.922 -8.707 1.00 0.00 H new ATOM 0 HG2 ARG B 8 131.588 9.822 -9.496 1.00 0.00 H new ATOM 0 HG3 ARG B 8 130.892 9.306 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG B 8 128.675 9.428 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG B 8 129.146 10.412 -10.173 1.00 0.00 H new ATOM 0 HE ARG B 8 129.077 7.556 -10.087 1.00 0.00 H new ATOM 0 HH11 ARG B 8 131.063 10.223 -11.299 1.00 0.00 H new ATOM 0 HH12 ARG B 8 131.739 9.265 -12.620 1.00 0.00 H new ATOM 0 HH21 ARG B 8 129.956 6.343 -11.782 1.00 0.00 H new ATOM 0 HH22 ARG B 8 131.115 7.081 -12.893 1.00 0.00 H new ATOM 560 N ASP B 9 131.323 13.077 -5.110 1.00 0.00 N ATOM 561 CA ASP B 9 131.935 14.280 -4.555 1.00 0.00 C ATOM 562 C ASP B 9 133.286 13.968 -3.913 1.00 0.00 C ATOM 563 O ASP B 9 133.825 14.778 -3.159 1.00 0.00 O ATOM 564 CB ASP B 9 131.036 14.916 -3.498 1.00 0.00 C ATOM 565 CG ASP B 9 130.463 13.898 -2.532 1.00 0.00 C ATOM 566 OD1 ASP B 9 131.214 12.998 -2.105 1.00 0.00 O ATOM 567 OD2 ASP B 9 129.262 14.000 -2.206 1.00 0.00 O ATOM 0 H ASP B 9 130.941 12.438 -4.412 1.00 0.00 H new ATOM 0 HA ASP B 9 132.076 14.973 -5.384 1.00 0.00 H new ATOM 0 HB2 ASP B 9 131.606 15.659 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP B 9 130.219 15.444 -3.991 1.00 0.00 H new ATOM 572 N GLY B 10 133.828 12.799 -4.217 1.00 0.00 N ATOM 573 CA GLY B 10 135.115 12.411 -3.663 1.00 0.00 C ATOM 574 C GLY B 10 135.013 11.905 -2.248 1.00 0.00 C ATOM 575 O GLY B 10 136.027 11.771 -1.560 1.00 0.00 O ATOM 0 H GLY B 10 133.403 12.110 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY B 10 135.557 11.636 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY B 10 135.790 13.266 -3.690 1.00 0.00 H new ATOM 579 N GLN B 11 133.802 11.598 -1.806 1.00 0.00 N ATOM 580 CA GLN B 11 133.619 11.071 -0.471 1.00 0.00 C ATOM 581 C GLN B 11 133.144 9.645 -0.548 1.00 0.00 C ATOM 582 O GLN B 11 132.523 9.226 -1.525 1.00 0.00 O ATOM 583 CB GLN B 11 132.652 11.899 0.349 1.00 0.00 C ATOM 584 CG GLN B 11 133.284 12.493 1.601 1.00 0.00 C ATOM 585 CD GLN B 11 132.797 13.891 1.897 1.00 0.00 C ATOM 586 OE1 GLN B 11 132.396 14.208 3.015 1.00 0.00 O ATOM 587 NE2 GLN B 11 132.848 14.735 0.892 1.00 0.00 N ATOM 0 H GLN B 11 132.944 11.705 -2.348 1.00 0.00 H new ATOM 0 HA GLN B 11 134.584 11.114 0.033 1.00 0.00 H new ATOM 0 HB2 GLN B 11 132.259 12.706 -0.270 1.00 0.00 H new ATOM 0 HB3 GLN B 11 131.805 11.277 0.637 1.00 0.00 H new ATOM 0 HG2 GLN B 11 133.065 11.849 2.453 1.00 0.00 H new ATOM 0 HG3 GLN B 11 134.367 12.508 1.483 1.00 0.00 H new ATOM 0 HE21 GLN B 11 133.189 14.425 -0.018 1.00 0.00 H new ATOM 0 HE22 GLN B 11 132.547 15.701 1.021 1.00 0.00 H new ATOM 596 N ALA B 12 133.464 8.907 0.482 1.00 0.00 N ATOM 597 CA ALA B 12 133.119 7.506 0.567 1.00 0.00 C ATOM 598 C ALA B 12 131.804 7.292 1.279 1.00 0.00 C ATOM 599 O ALA B 12 131.517 7.916 2.301 1.00 0.00 O ATOM 600 CB ALA B 12 134.251 6.739 1.238 1.00 0.00 C ATOM 0 H ALA B 12 133.974 9.260 1.292 1.00 0.00 H new ATOM 0 HA ALA B 12 132.987 7.122 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA B 12 133.988 5.683 1.301 1.00 0.00 H new ATOM 0 HB2 ALA B 12 135.164 6.852 0.653 1.00 0.00 H new ATOM 0 HB3 ALA B 12 134.413 7.133 2.241 1.00 0.00 H new ATOM 606 N TYR B 13 130.998 6.412 0.709 1.00 0.00 N ATOM 607 CA TYR B 13 129.691 6.105 1.253 1.00 0.00 C ATOM 608 C TYR B 13 129.559 4.649 1.640 1.00 0.00 C ATOM 609 O TYR B 13 130.183 3.757 1.072 1.00 0.00 O ATOM 610 CB TYR B 13 128.611 6.416 0.248 1.00 0.00 C ATOM 611 CG TYR B 13 128.396 7.884 0.100 1.00 0.00 C ATOM 612 CD1 TYR B 13 127.788 8.594 1.102 1.00 0.00 C ATOM 613 CD2 TYR B 13 128.826 8.554 -1.016 1.00 0.00 C ATOM 614 CE1 TYR B 13 127.607 9.947 1.004 1.00 0.00 C ATOM 615 CE2 TYR B 13 128.656 9.919 -1.136 1.00 0.00 C ATOM 616 CZ TYR B 13 128.045 10.616 -0.117 1.00 0.00 C ATOM 617 OH TYR B 13 127.865 11.976 -0.222 1.00 0.00 O ATOM 0 H TYR B 13 131.231 5.895 -0.138 1.00 0.00 H new ATOM 0 HA TYR B 13 129.579 6.722 2.144 1.00 0.00 H new ATOM 0 HB2 TYR B 13 128.880 5.989 -0.718 1.00 0.00 H new ATOM 0 HB3 TYR B 13 127.680 5.942 0.557 1.00 0.00 H new ATOM 0 HD1 TYR B 13 127.445 8.076 1.986 1.00 0.00 H new ATOM 0 HD2 TYR B 13 129.305 8.006 -1.814 1.00 0.00 H new ATOM 0 HE1 TYR B 13 127.122 10.488 1.803 1.00 0.00 H new ATOM 0 HE2 TYR B 13 128.999 10.435 -2.020 1.00 0.00 H new ATOM 0 HH TYR B 13 128.449 12.330 -0.925 1.00 0.00 H new ATOM 627 N VAL B 14 128.702 4.451 2.594 1.00 0.00 N ATOM 628 CA VAL B 14 128.369 3.159 3.134 1.00 0.00 C ATOM 629 C VAL B 14 126.946 2.895 2.741 1.00 0.00 C ATOM 630 O VAL B 14 126.204 3.839 2.462 1.00 0.00 O ATOM 631 CB VAL B 14 128.523 3.239 4.662 1.00 0.00 C ATOM 632 CG1 VAL B 14 128.959 1.936 5.306 1.00 0.00 C ATOM 633 CG2 VAL B 14 129.517 4.361 4.954 1.00 0.00 C ATOM 0 H VAL B 14 128.192 5.214 3.039 1.00 0.00 H new ATOM 0 HA VAL B 14 129.009 2.357 2.765 1.00 0.00 H new ATOM 0 HB VAL B 14 127.547 3.444 5.102 1.00 0.00 H new ATOM 0 HG11 VAL B 14 129.045 2.074 6.384 1.00 0.00 H new ATOM 0 HG12 VAL B 14 128.221 1.162 5.097 1.00 0.00 H new ATOM 0 HG13 VAL B 14 129.925 1.635 4.900 1.00 0.00 H new ATOM 0 HG21 VAL B 14 129.656 4.453 6.031 1.00 0.00 H new ATOM 0 HG22 VAL B 14 130.473 4.132 4.483 1.00 0.00 H new ATOM 0 HG23 VAL B 14 129.132 5.300 4.557 1.00 0.00 H new ATOM 643 N ARG B 15 126.549 1.650 2.673 1.00 0.00 N ATOM 644 CA ARG B 15 125.203 1.373 2.257 1.00 0.00 C ATOM 645 C ARG B 15 124.384 0.972 3.473 1.00 0.00 C ATOM 646 O ARG B 15 124.516 -0.121 4.021 1.00 0.00 O ATOM 647 CB ARG B 15 125.223 0.297 1.157 1.00 0.00 C ATOM 648 CG ARG B 15 124.388 0.555 -0.094 1.00 0.00 C ATOM 649 CD ARG B 15 123.139 1.366 0.143 1.00 0.00 C ATOM 650 NE ARG B 15 121.942 0.520 0.131 1.00 0.00 N ATOM 651 CZ ARG B 15 121.344 0.050 1.219 1.00 0.00 C ATOM 652 NH1 ARG B 15 121.686 0.502 2.410 1.00 0.00 N ATOM 653 NH2 ARG B 15 120.378 -0.845 1.121 1.00 0.00 N ATOM 0 H ARG B 15 127.121 0.835 2.894 1.00 0.00 H new ATOM 0 HA ARG B 15 124.731 2.256 1.827 1.00 0.00 H new ATOM 0 HB2 ARG B 15 126.258 0.152 0.847 1.00 0.00 H new ATOM 0 HB3 ARG B 15 124.888 -0.642 1.598 1.00 0.00 H new ATOM 0 HG2 ARG B 15 125.007 1.071 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG B 15 124.106 -0.403 -0.531 1.00 0.00 H new ATOM 0 HD2 ARG B 15 123.214 1.880 1.101 1.00 0.00 H new ATOM 0 HD3 ARG B 15 123.051 2.134 -0.625 1.00 0.00 H new ATOM 0 HE ARG B 15 121.541 0.276 -0.775 1.00 0.00 H new ATOM 0 HH11 ARG B 15 122.411 1.214 2.496 1.00 0.00 H new ATOM 0 HH12 ARG B 15 121.225 0.140 3.245 1.00 0.00 H new ATOM 0 HH21 ARG B 15 120.085 -1.181 0.204 1.00 0.00 H new ATOM 0 HH22 ARG B 15 119.925 -1.200 1.963 1.00 0.00 H new ATOM 667 N LYS B 16 123.520 1.913 3.868 1.00 0.00 N ATOM 668 CA LYS B 16 122.632 1.752 5.008 1.00 0.00 C ATOM 669 C LYS B 16 121.226 2.254 4.705 1.00 0.00 C ATOM 670 O LYS B 16 121.051 3.429 4.380 1.00 0.00 O ATOM 671 CB LYS B 16 123.217 2.503 6.206 1.00 0.00 C ATOM 672 CG LYS B 16 122.206 3.203 7.106 1.00 0.00 C ATOM 673 CD LYS B 16 122.917 4.109 8.098 1.00 0.00 C ATOM 674 CE LYS B 16 122.964 3.510 9.488 1.00 0.00 C ATOM 675 NZ LYS B 16 124.277 3.740 10.150 1.00 0.00 N ATOM 0 H LYS B 16 123.422 2.812 3.397 1.00 0.00 H new ATOM 0 HA LYS B 16 122.552 0.689 5.236 1.00 0.00 H new ATOM 0 HB2 LYS B 16 123.786 1.797 6.811 1.00 0.00 H new ATOM 0 HB3 LYS B 16 123.922 3.247 5.836 1.00 0.00 H new ATOM 0 HG2 LYS B 16 121.514 3.788 6.500 1.00 0.00 H new ATOM 0 HG3 LYS B 16 121.612 2.462 7.641 1.00 0.00 H new ATOM 0 HD2 LYS B 16 123.933 4.298 7.751 1.00 0.00 H new ATOM 0 HD3 LYS B 16 122.409 5.072 8.136 1.00 0.00 H new ATOM 0 HE2 LYS B 16 122.170 3.943 10.097 1.00 0.00 H new ATOM 0 HE3 LYS B 16 122.771 2.439 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 124.297 3.243 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 125.040 3.379 9.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 124.412 4.759 10.308 1.00 0.00 H new ATOM 689 N ASP B 17 120.218 1.410 4.870 1.00 0.00 N ATOM 690 CA ASP B 17 118.846 1.858 4.672 1.00 0.00 C ATOM 691 C ASP B 17 118.621 2.436 3.278 1.00 0.00 C ATOM 692 O ASP B 17 117.995 3.486 3.123 1.00 0.00 O ATOM 693 CB ASP B 17 118.503 2.896 5.740 1.00 0.00 C ATOM 694 CG ASP B 17 117.409 2.423 6.674 1.00 0.00 C ATOM 695 OD1 ASP B 17 117.465 1.252 7.105 1.00 0.00 O ATOM 696 OD2 ASP B 17 116.495 3.220 6.972 1.00 0.00 O ATOM 0 H ASP B 17 120.319 0.430 5.135 1.00 0.00 H new ATOM 0 HA ASP B 17 118.189 0.993 4.763 1.00 0.00 H new ATOM 0 HB2 ASP B 17 119.397 3.126 6.319 1.00 0.00 H new ATOM 0 HB3 ASP B 17 118.189 3.821 5.256 1.00 0.00 H new ATOM 701 N GLY B 18 119.110 1.741 2.265 1.00 0.00 N ATOM 702 CA GLY B 18 118.942 2.177 0.894 1.00 0.00 C ATOM 703 C GLY B 18 119.584 3.518 0.579 1.00 0.00 C ATOM 704 O GLY B 18 119.270 4.112 -0.452 1.00 0.00 O ATOM 0 H GLY B 18 119.628 0.869 2.370 1.00 0.00 H new ATOM 0 HA2 GLY B 18 119.363 1.421 0.231 1.00 0.00 H new ATOM 0 HA3 GLY B 18 117.876 2.237 0.672 1.00 0.00 H new ATOM 708 N GLU B 19 120.464 4.024 1.448 1.00 0.00 N ATOM 709 CA GLU B 19 121.083 5.310 1.196 1.00 0.00 C ATOM 710 C GLU B 19 122.590 5.252 1.361 1.00 0.00 C ATOM 711 O GLU B 19 123.129 4.340 1.987 1.00 0.00 O ATOM 712 CB GLU B 19 120.516 6.351 2.157 1.00 0.00 C ATOM 713 CG GLU B 19 119.367 5.850 3.020 1.00 0.00 C ATOM 714 CD GLU B 19 118.992 6.828 4.115 1.00 0.00 C ATOM 715 OE1 GLU B 19 119.872 7.600 4.549 1.00 0.00 O ATOM 716 OE2 GLU B 19 117.817 6.821 4.540 1.00 0.00 O ATOM 0 H GLU B 19 120.754 3.567 2.313 1.00 0.00 H new ATOM 0 HA GLU B 19 120.863 5.585 0.165 1.00 0.00 H new ATOM 0 HB2 GLU B 19 121.317 6.701 2.808 1.00 0.00 H new ATOM 0 HB3 GLU B 19 120.174 7.211 1.581 1.00 0.00 H new ATOM 0 HG2 GLU B 19 118.497 5.665 2.389 1.00 0.00 H new ATOM 0 HG3 GLU B 19 119.644 4.896 3.469 1.00 0.00 H new ATOM 723 N TRP B 20 123.262 6.246 0.797 1.00 0.00 N ATOM 724 CA TRP B 20 124.701 6.332 0.879 1.00 0.00 C ATOM 725 C TRP B 20 125.114 7.260 2.011 1.00 0.00 C ATOM 726 O TRP B 20 124.859 8.464 1.974 1.00 0.00 O ATOM 727 CB TRP B 20 125.293 6.773 -0.461 1.00 0.00 C ATOM 728 CG TRP B 20 125.120 5.701 -1.485 1.00 0.00 C ATOM 729 CD1 TRP B 20 124.379 5.726 -2.638 1.00 0.00 C ATOM 730 CD2 TRP B 20 125.690 4.405 -1.402 1.00 0.00 C ATOM 731 NE1 TRP B 20 124.468 4.500 -3.272 1.00 0.00 N ATOM 732 CE2 TRP B 20 125.270 3.686 -2.528 1.00 0.00 C ATOM 733 CE3 TRP B 20 126.525 3.782 -0.476 1.00 0.00 C ATOM 734 CZ2 TRP B 20 125.656 2.381 -2.749 1.00 0.00 C ATOM 735 CZ3 TRP B 20 126.901 2.487 -0.699 1.00 0.00 C ATOM 736 CH2 TRP B 20 126.469 1.799 -1.831 1.00 0.00 C ATOM 0 H TRP B 20 122.824 7.006 0.276 1.00 0.00 H new ATOM 0 HA TRP B 20 125.100 5.342 1.101 1.00 0.00 H new ATOM 0 HB2 TRP B 20 124.806 7.688 -0.797 1.00 0.00 H new ATOM 0 HB3 TRP B 20 126.352 7.002 -0.340 1.00 0.00 H new ATOM 0 HD1 TRP B 20 123.813 6.573 -2.996 1.00 0.00 H new ATOM 0 HE1 TRP B 20 124.011 4.247 -4.148 1.00 0.00 H new ATOM 0 HE3 TRP B 20 126.868 4.312 0.400 1.00 0.00 H new ATOM 0 HZ2 TRP B 20 125.323 1.840 -3.623 1.00 0.00 H new ATOM 0 HZ3 TRP B 20 127.543 1.989 0.013 1.00 0.00 H new ATOM 0 HH2 TRP B 20 126.789 0.778 -1.982 1.00 0.00 H new ATOM 747 N VAL B 21 125.757 6.681 3.018 1.00 0.00 N ATOM 748 CA VAL B 21 126.217 7.443 4.174 1.00 0.00 C ATOM 749 C VAL B 21 127.716 7.518 4.195 1.00 0.00 C ATOM 750 O VAL B 21 128.411 6.575 3.855 1.00 0.00 O ATOM 751 CB VAL B 21 125.785 6.843 5.527 1.00 0.00 C ATOM 752 CG1 VAL B 21 126.035 7.843 6.646 1.00 0.00 C ATOM 753 CG2 VAL B 21 124.328 6.412 5.566 1.00 0.00 C ATOM 0 H VAL B 21 125.972 5.685 3.058 1.00 0.00 H new ATOM 0 HA VAL B 21 125.757 8.425 4.061 1.00 0.00 H new ATOM 0 HB VAL B 21 126.389 5.946 5.664 1.00 0.00 H new ATOM 0 HG11 VAL B 21 125.726 7.409 7.597 1.00 0.00 H new ATOM 0 HG12 VAL B 21 127.097 8.087 6.686 1.00 0.00 H new ATOM 0 HG13 VAL B 21 125.461 8.750 6.458 1.00 0.00 H new ATOM 0 HG21 VAL B 21 124.097 6.000 6.548 1.00 0.00 H new ATOM 0 HG22 VAL B 21 123.688 7.274 5.374 1.00 0.00 H new ATOM 0 HG23 VAL B 21 124.153 5.653 4.804 1.00 0.00 H new ATOM 763 N LEU B 22 128.193 8.660 4.602 1.00 0.00 N ATOM 764 CA LEU B 22 129.604 8.918 4.692 1.00 0.00 C ATOM 765 C LEU B 22 130.323 7.912 5.585 1.00 0.00 C ATOM 766 O LEU B 22 130.006 7.758 6.763 1.00 0.00 O ATOM 767 CB LEU B 22 129.786 10.327 5.192 1.00 0.00 C ATOM 768 CG LEU B 22 130.099 11.374 4.115 1.00 0.00 C ATOM 769 CD1 LEU B 22 130.910 12.533 4.645 1.00 0.00 C ATOM 770 CD2 LEU B 22 130.845 10.784 2.936 1.00 0.00 C ATOM 0 H LEU B 22 127.608 9.447 4.884 1.00 0.00 H new ATOM 0 HA LEU B 22 130.054 8.807 3.705 1.00 0.00 H new ATOM 0 HB2 LEU B 22 128.878 10.629 5.715 1.00 0.00 H new ATOM 0 HB3 LEU B 22 130.593 10.333 5.925 1.00 0.00 H new ATOM 0 HG LEU B 22 129.123 11.734 3.790 1.00 0.00 H new ATOM 0 HD11 LEU B 22 131.101 13.242 3.839 1.00 0.00 H new ATOM 0 HD12 LEU B 22 130.357 13.030 5.442 1.00 0.00 H new ATOM 0 HD13 LEU B 22 131.858 12.165 5.037 1.00 0.00 H new ATOM 0 HD21 LEU B 22 131.042 11.566 2.202 1.00 0.00 H new ATOM 0 HD22 LEU B 22 131.789 10.361 3.278 1.00 0.00 H new ATOM 0 HD23 LEU B 22 130.241 10.001 2.478 1.00 0.00 H new ATOM 782 N LEU B 23 131.306 7.251 5.002 1.00 0.00 N ATOM 783 CA LEU B 23 132.122 6.267 5.704 1.00 0.00 C ATOM 784 C LEU B 23 132.793 6.887 6.917 1.00 0.00 C ATOM 785 O LEU B 23 132.846 6.290 7.991 1.00 0.00 O ATOM 786 CB LEU B 23 133.194 5.767 4.747 1.00 0.00 C ATOM 787 CG LEU B 23 134.250 4.809 5.313 1.00 0.00 C ATOM 788 CD1 LEU B 23 133.668 3.846 6.331 1.00 0.00 C ATOM 789 CD2 LEU B 23 134.895 4.037 4.181 1.00 0.00 C ATOM 0 H LEU B 23 131.565 7.379 4.024 1.00 0.00 H new ATOM 0 HA LEU B 23 131.486 5.449 6.042 1.00 0.00 H new ATOM 0 HB2 LEU B 23 132.697 5.268 3.915 1.00 0.00 H new ATOM 0 HB3 LEU B 23 133.711 6.634 4.336 1.00 0.00 H new ATOM 0 HG LEU B 23 134.998 5.411 5.829 1.00 0.00 H new ATOM 0 HD11 LEU B 23 134.455 3.189 6.702 1.00 0.00 H new ATOM 0 HD12 LEU B 23 133.243 4.408 7.162 1.00 0.00 H new ATOM 0 HD13 LEU B 23 132.887 3.248 5.861 1.00 0.00 H new ATOM 0 HD21 LEU B 23 135.645 3.357 4.585 1.00 0.00 H new ATOM 0 HD22 LEU B 23 134.134 3.464 3.651 1.00 0.00 H new ATOM 0 HD23 LEU B 23 135.371 4.733 3.491 1.00 0.00 H new ATOM 801 N SER B 24 133.313 8.088 6.729 1.00 0.00 N ATOM 802 CA SER B 24 134.001 8.797 7.799 1.00 0.00 C ATOM 803 C SER B 24 133.045 9.127 8.935 1.00 0.00 C ATOM 804 O SER B 24 133.483 9.352 10.063 1.00 0.00 O ATOM 805 CB SER B 24 134.641 10.083 7.269 1.00 0.00 C ATOM 806 OG SER B 24 136.053 9.968 7.224 1.00 0.00 O ATOM 0 H SER B 24 133.273 8.595 5.845 1.00 0.00 H new ATOM 0 HA SER B 24 134.784 8.143 8.182 1.00 0.00 H new ATOM 0 HB2 SER B 24 134.258 10.299 6.271 1.00 0.00 H new ATOM 0 HB3 SER B 24 134.361 10.922 7.906 1.00 0.00 H new ATOM 0 HG SER B 24 136.438 10.801 6.881 1.00 0.00 H new ATOM 812 N THR B 25 131.739 9.113 8.669 1.00 0.00 N ATOM 813 CA THR B 25 130.783 9.369 9.734 1.00 0.00 C ATOM 814 C THR B 25 130.833 8.208 10.723 1.00 0.00 C ATOM 815 O THR B 25 130.383 8.315 11.864 1.00 0.00 O ATOM 816 CB THR B 25 129.357 9.543 9.188 1.00 0.00 C ATOM 817 OG1 THR B 25 129.204 10.817 8.589 1.00 0.00 O ATOM 818 CG2 THR B 25 128.268 9.396 10.231 1.00 0.00 C ATOM 0 H THR B 25 131.332 8.932 7.751 1.00 0.00 H new ATOM 0 HA THR B 25 131.052 10.301 10.231 1.00 0.00 H new ATOM 0 HB THR B 25 129.239 8.738 8.463 1.00 0.00 H new ATOM 0 HG1 THR B 25 128.291 10.909 8.246 1.00 0.00 H new ATOM 0 HG21 THR B 25 127.294 9.533 9.762 1.00 0.00 H new ATOM 0 HG22 THR B 25 128.320 8.401 10.674 1.00 0.00 H new ATOM 0 HG23 THR B 25 128.405 10.147 11.009 1.00 0.00 H new ATOM 826 N PHE B 26 131.384 7.090 10.246 1.00 0.00 N ATOM 827 CA PHE B 26 131.512 5.875 11.030 1.00 0.00 C ATOM 828 C PHE B 26 132.875 5.774 11.666 1.00 0.00 C ATOM 829 O PHE B 26 133.047 5.023 12.607 1.00 0.00 O ATOM 830 CB PHE B 26 131.247 4.660 10.139 1.00 0.00 C ATOM 831 CG PHE B 26 129.806 4.590 9.705 1.00 0.00 C ATOM 832 CD1 PHE B 26 129.369 5.302 8.599 1.00 0.00 C ATOM 833 CD2 PHE B 26 128.885 3.838 10.419 1.00 0.00 C ATOM 834 CE1 PHE B 26 128.042 5.265 8.211 1.00 0.00 C ATOM 835 CE2 PHE B 26 127.556 3.793 10.034 1.00 0.00 C ATOM 836 CZ PHE B 26 127.131 4.508 8.931 1.00 0.00 C ATOM 0 H PHE B 26 131.754 7.009 9.299 1.00 0.00 H new ATOM 0 HA PHE B 26 130.775 5.903 11.833 1.00 0.00 H new ATOM 0 HB2 PHE B 26 131.890 4.706 9.260 1.00 0.00 H new ATOM 0 HB3 PHE B 26 131.509 3.750 10.678 1.00 0.00 H new ATOM 0 HD1 PHE B 26 130.074 5.893 8.033 1.00 0.00 H new ATOM 0 HD2 PHE B 26 129.209 3.281 11.286 1.00 0.00 H new ATOM 0 HE1 PHE B 26 127.716 5.826 7.347 1.00 0.00 H new ATOM 0 HE2 PHE B 26 126.851 3.199 10.596 1.00 0.00 H new ATOM 0 HZ PHE B 26 126.094 4.477 8.631 1.00 0.00 H new ATOM 846 N LEU B 27 133.838 6.552 11.204 1.00 0.00 N ATOM 847 CA LEU B 27 135.171 6.512 11.780 1.00 0.00 C ATOM 848 C LEU B 27 135.405 7.693 12.716 1.00 0.00 C ATOM 849 O LEU B 27 136.078 7.502 13.751 1.00 0.00 O ATOM 850 CB LEU B 27 136.203 6.514 10.652 1.00 0.00 C ATOM 851 CG LEU B 27 135.729 5.884 9.340 1.00 0.00 C ATOM 852 CD1 LEU B 27 136.733 6.117 8.243 1.00 0.00 C ATOM 853 CD2 LEU B 27 135.499 4.392 9.478 1.00 0.00 C ATOM 854 OXT LEU B 27 134.913 8.798 12.408 1.00 0.00 O ATOM 0 H LEU B 27 133.724 7.215 10.437 1.00 0.00 H new ATOM 0 HA LEU B 27 135.272 5.601 12.370 1.00 0.00 H new ATOM 0 HB2 LEU B 27 136.502 7.544 10.456 1.00 0.00 H new ATOM 0 HB3 LEU B 27 137.092 5.983 10.992 1.00 0.00 H new ATOM 0 HG LEU B 27 134.783 6.363 9.088 1.00 0.00 H new ATOM 0 HD11 LEU B 27 136.376 5.661 7.320 1.00 0.00 H new ATOM 0 HD12 LEU B 27 136.864 7.188 8.091 1.00 0.00 H new ATOM 0 HD13 LEU B 27 137.687 5.671 8.522 1.00 0.00 H new ATOM 0 HD21 LEU B 27 135.164 3.986 8.524 1.00 0.00 H new ATOM 0 HD22 LEU B 27 136.429 3.906 9.772 1.00 0.00 H new ATOM 0 HD23 LEU B 27 134.739 4.210 10.237 1.00 0.00 H new ATOM 867 N GLY C 1 122.186 5.174 -13.083 1.00 0.00 N ATOM 868 CA GLY C 1 121.215 4.958 -11.978 1.00 0.00 C ATOM 869 C GLY C 1 121.818 4.195 -10.816 1.00 0.00 C ATOM 870 O GLY C 1 121.909 4.719 -9.708 1.00 0.00 O ATOM 0 H1 GLY C 1 121.725 5.700 -13.853 1.00 0.00 H new ATOM 0 H2 GLY C 1 122.998 5.719 -12.730 1.00 0.00 H new ATOM 0 H3 GLY C 1 122.515 4.255 -13.441 1.00 0.00 H new ATOM 0 HA2 GLY C 1 120.851 5.923 -11.625 1.00 0.00 H new ATOM 0 HA3 GLY C 1 120.352 4.411 -12.359 1.00 0.00 H new ATOM 876 N TYR C 2 122.223 2.952 -11.069 1.00 0.00 N ATOM 877 CA TYR C 2 122.819 2.108 -10.029 1.00 0.00 C ATOM 878 C TYR C 2 124.345 2.068 -10.135 1.00 0.00 C ATOM 879 O TYR C 2 124.911 2.368 -11.185 1.00 0.00 O ATOM 880 CB TYR C 2 122.271 0.684 -10.098 1.00 0.00 C ATOM 881 CG TYR C 2 120.795 0.539 -9.768 1.00 0.00 C ATOM 882 CD1 TYR C 2 119.955 1.641 -9.639 1.00 0.00 C ATOM 883 CD2 TYR C 2 120.245 -0.720 -9.592 1.00 0.00 C ATOM 884 CE1 TYR C 2 118.613 1.485 -9.343 1.00 0.00 C ATOM 885 CE2 TYR C 2 118.906 -0.885 -9.299 1.00 0.00 C ATOM 886 CZ TYR C 2 118.094 0.219 -9.176 1.00 0.00 C ATOM 887 OH TYR C 2 116.759 0.058 -8.884 1.00 0.00 O ATOM 0 H TYR C 2 122.151 2.505 -11.983 1.00 0.00 H new ATOM 0 HA TYR C 2 122.549 2.553 -9.071 1.00 0.00 H new ATOM 0 HB2 TYR C 2 122.442 0.295 -11.102 1.00 0.00 H new ATOM 0 HB3 TYR C 2 122.843 0.059 -9.412 1.00 0.00 H new ATOM 0 HD1 TYR C 2 120.358 2.634 -9.772 1.00 0.00 H new ATOM 0 HD2 TYR C 2 120.877 -1.591 -9.686 1.00 0.00 H new ATOM 0 HE1 TYR C 2 117.975 2.351 -9.243 1.00 0.00 H new ATOM 0 HE2 TYR C 2 118.498 -1.876 -9.167 1.00 0.00 H new ATOM 0 HH TYR C 2 116.556 -0.897 -8.799 1.00 0.00 H new ATOM 897 N ILE C 3 125.002 1.672 -9.043 1.00 0.00 N ATOM 898 CA ILE C 3 126.462 1.559 -9.022 1.00 0.00 C ATOM 899 C ILE C 3 126.906 0.189 -9.496 1.00 0.00 C ATOM 900 O ILE C 3 126.135 -0.770 -9.461 1.00 0.00 O ATOM 901 CB ILE C 3 127.069 1.699 -7.617 1.00 0.00 C ATOM 902 CG1 ILE C 3 126.275 0.908 -6.600 1.00 0.00 C ATOM 903 CG2 ILE C 3 127.195 3.131 -7.158 1.00 0.00 C ATOM 904 CD1 ILE C 3 126.865 0.973 -5.213 1.00 0.00 C ATOM 0 H ILE C 3 124.548 1.425 -8.164 1.00 0.00 H new ATOM 0 HA ILE C 3 126.802 2.368 -9.668 1.00 0.00 H new ATOM 0 HB ILE C 3 128.078 1.294 -7.692 1.00 0.00 H new ATOM 0 HG12 ILE C 3 125.253 1.285 -6.572 1.00 0.00 H new ATOM 0 HG13 ILE C 3 126.222 -0.133 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE C 3 127.630 3.156 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE C 3 127.837 3.679 -7.848 1.00 0.00 H new ATOM 0 HG23 ILE C 3 126.208 3.594 -7.135 1.00 0.00 H new ATOM 0 HD11 ILE C 3 126.252 0.387 -4.529 1.00 0.00 H new ATOM 0 HD12 ILE C 3 127.877 0.570 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE C 3 126.893 2.010 -4.878 1.00 0.00 H new ATOM 916 N PRO C 4 128.175 0.064 -9.905 1.00 0.00 N ATOM 917 CA PRO C 4 128.733 -1.194 -10.332 1.00 0.00 C ATOM 918 C PRO C 4 129.406 -1.931 -9.170 1.00 0.00 C ATOM 919 O PRO C 4 129.962 -1.318 -8.270 1.00 0.00 O ATOM 920 CB PRO C 4 129.728 -0.773 -11.406 1.00 0.00 C ATOM 921 CG PRO C 4 130.154 0.621 -11.019 1.00 0.00 C ATOM 922 CD PRO C 4 129.181 1.126 -9.967 1.00 0.00 C ATOM 0 HA PRO C 4 127.989 -1.899 -10.701 1.00 0.00 H new ATOM 0 HB2 PRO C 4 130.581 -1.451 -11.441 1.00 0.00 H new ATOM 0 HB3 PRO C 4 129.270 -0.785 -12.395 1.00 0.00 H new ATOM 0 HG2 PRO C 4 131.171 0.615 -10.628 1.00 0.00 H new ATOM 0 HG3 PRO C 4 130.151 1.277 -11.889 1.00 0.00 H new ATOM 0 HD2 PRO C 4 129.670 1.274 -9.004 1.00 0.00 H new ATOM 0 HD3 PRO C 4 128.741 2.082 -10.251 1.00 0.00 H new ATOM 930 N GLU C 5 129.276 -3.259 -9.200 1.00 0.00 N ATOM 931 CA GLU C 5 129.780 -4.162 -8.164 1.00 0.00 C ATOM 932 C GLU C 5 131.283 -4.070 -7.909 1.00 0.00 C ATOM 933 O GLU C 5 132.089 -3.918 -8.826 1.00 0.00 O ATOM 934 CB GLU C 5 129.399 -5.607 -8.521 1.00 0.00 C ATOM 935 CG GLU C 5 130.041 -6.667 -7.631 1.00 0.00 C ATOM 936 CD GLU C 5 129.028 -7.492 -6.854 1.00 0.00 C ATOM 937 OE1 GLU C 5 128.176 -8.141 -7.496 1.00 0.00 O ATOM 938 OE2 GLU C 5 129.086 -7.486 -5.596 1.00 0.00 O ATOM 0 H GLU C 5 128.807 -3.747 -9.963 1.00 0.00 H new ATOM 0 HA GLU C 5 129.309 -3.845 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU C 5 128.315 -5.709 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU C 5 129.682 -5.799 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU C 5 130.645 -7.332 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU C 5 130.718 -6.181 -6.929 1.00 0.00 H new ATOM 945 N ALA C 6 131.628 -4.206 -6.627 1.00 0.00 N ATOM 946 CA ALA C 6 133.010 -4.188 -6.168 1.00 0.00 C ATOM 947 C ALA C 6 133.623 -5.593 -6.229 1.00 0.00 C ATOM 948 O ALA C 6 132.905 -6.593 -6.201 1.00 0.00 O ATOM 949 CB ALA C 6 133.080 -3.649 -4.746 1.00 0.00 C ATOM 0 H ALA C 6 130.949 -4.332 -5.877 1.00 0.00 H new ATOM 0 HA ALA C 6 133.583 -3.535 -6.827 1.00 0.00 H new ATOM 0 HB1 ALA C 6 134.117 -3.639 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA C 6 132.681 -2.635 -4.721 1.00 0.00 H new ATOM 0 HB3 ALA C 6 132.492 -4.286 -4.086 1.00 0.00 H new ATOM 955 N PRO C 7 134.962 -5.680 -6.309 1.00 0.00 N ATOM 956 CA PRO C 7 135.682 -6.962 -6.372 1.00 0.00 C ATOM 957 C PRO C 7 135.247 -7.953 -5.289 1.00 0.00 C ATOM 958 O PRO C 7 134.781 -7.554 -4.222 1.00 0.00 O ATOM 959 CB PRO C 7 137.140 -6.560 -6.137 1.00 0.00 C ATOM 960 CG PRO C 7 137.235 -5.136 -6.568 1.00 0.00 C ATOM 961 CD PRO C 7 135.878 -4.525 -6.343 1.00 0.00 C ATOM 0 HA PRO C 7 135.494 -7.471 -7.317 1.00 0.00 H new ATOM 0 HB2 PRO C 7 137.414 -6.672 -5.088 1.00 0.00 H new ATOM 0 HB3 PRO C 7 137.818 -7.190 -6.712 1.00 0.00 H new ATOM 0 HG2 PRO C 7 137.997 -4.608 -5.995 1.00 0.00 H new ATOM 0 HG3 PRO C 7 137.521 -5.067 -7.618 1.00 0.00 H new ATOM 0 HD2 PRO C 7 135.844 -3.962 -5.410 1.00 0.00 H new ATOM 0 HD3 PRO C 7 135.616 -3.832 -7.143 1.00 0.00 H new ATOM 969 N ARG C 8 135.409 -9.249 -5.571 1.00 0.00 N ATOM 970 CA ARG C 8 135.040 -10.304 -4.626 1.00 0.00 C ATOM 971 C ARG C 8 136.279 -11.024 -4.097 1.00 0.00 C ATOM 972 O ARG C 8 136.479 -12.215 -4.336 1.00 0.00 O ATOM 973 CB ARG C 8 134.102 -11.304 -5.283 1.00 0.00 C ATOM 974 CG ARG C 8 132.647 -11.148 -4.876 1.00 0.00 C ATOM 975 CD ARG C 8 131.901 -10.210 -5.809 1.00 0.00 C ATOM 976 NE ARG C 8 130.594 -10.740 -6.192 1.00 0.00 N ATOM 977 CZ ARG C 8 130.404 -11.611 -7.182 1.00 0.00 C ATOM 978 NH1 ARG C 8 131.435 -12.064 -7.886 1.00 0.00 N ATOM 979 NH2 ARG C 8 129.180 -12.033 -7.468 1.00 0.00 N ATOM 0 H ARG C 8 135.795 -9.593 -6.450 1.00 0.00 H new ATOM 0 HA ARG C 8 134.528 -9.835 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG C 8 134.179 -11.201 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG C 8 134.432 -12.313 -5.035 1.00 0.00 H new ATOM 0 HG2 ARG C 8 132.162 -12.124 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG C 8 132.593 -10.766 -3.856 1.00 0.00 H new ATOM 0 HD2 ARG C 8 131.771 -9.243 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG C 8 132.499 -10.039 -6.704 1.00 0.00 H new ATOM 0 HE ARG C 8 129.777 -10.424 -5.669 1.00 0.00 H new ATOM 0 HH11 ARG C 8 132.380 -11.745 -7.670 1.00 0.00 H new ATOM 0 HH12 ARG C 8 131.282 -12.731 -8.643 1.00 0.00 H new ATOM 0 HH21 ARG C 8 128.384 -11.691 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG C 8 129.035 -12.700 -8.226 1.00 0.00 H new ATOM 993 N ASP C 9 137.098 -10.283 -3.372 1.00 0.00 N ATOM 994 CA ASP C 9 138.325 -10.821 -2.784 1.00 0.00 C ATOM 995 C ASP C 9 138.238 -10.878 -1.259 1.00 0.00 C ATOM 996 O ASP C 9 139.253 -11.051 -0.585 1.00 0.00 O ATOM 997 CB ASP C 9 139.532 -9.962 -3.163 1.00 0.00 C ATOM 998 CG ASP C 9 139.351 -8.506 -2.781 1.00 0.00 C ATOM 999 OD1 ASP C 9 138.191 -8.047 -2.716 1.00 0.00 O ATOM 1000 OD2 ASP C 9 140.371 -7.823 -2.546 1.00 0.00 O ATOM 0 H ASP C 9 136.938 -9.296 -3.171 1.00 0.00 H new ATOM 0 HA ASP C 9 138.445 -11.830 -3.178 1.00 0.00 H new ATOM 0 HB2 ASP C 9 140.422 -10.355 -2.672 1.00 0.00 H new ATOM 0 HB3 ASP C 9 139.702 -10.034 -4.237 1.00 0.00 H new ATOM 1005 N GLY C 10 137.035 -10.732 -0.715 1.00 0.00 N ATOM 1006 CA GLY C 10 136.874 -10.772 0.728 1.00 0.00 C ATOM 1007 C GLY C 10 137.257 -9.468 1.385 1.00 0.00 C ATOM 1008 O GLY C 10 137.408 -9.407 2.601 1.00 0.00 O ATOM 0 H GLY C 10 136.174 -10.588 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY C 10 135.837 -11.007 0.969 1.00 0.00 H new ATOM 0 HA3 GLY C 10 137.486 -11.576 1.137 1.00 0.00 H new ATOM 1012 N GLN C 11 137.398 -8.415 0.589 1.00 0.00 N ATOM 1013 CA GLN C 11 137.733 -7.112 1.135 1.00 0.00 C ATOM 1014 C GLN C 11 136.512 -6.240 1.090 1.00 0.00 C ATOM 1015 O GLN C 11 135.622 -6.442 0.269 1.00 0.00 O ATOM 1016 CB GLN C 11 138.849 -6.424 0.358 1.00 0.00 C ATOM 1017 CG GLN C 11 140.201 -6.357 1.059 1.00 0.00 C ATOM 1018 CD GLN C 11 140.104 -6.074 2.545 1.00 0.00 C ATOM 1019 OE1 GLN C 11 139.728 -4.981 2.970 1.00 0.00 O ATOM 1020 NE2 GLN C 11 140.449 -7.072 3.336 1.00 0.00 N ATOM 0 H GLN C 11 137.287 -8.439 -0.425 1.00 0.00 H new ATOM 0 HA GLN C 11 138.081 -7.263 2.157 1.00 0.00 H new ATOM 0 HB2 GLN C 11 138.979 -6.943 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN C 11 138.531 -5.408 0.125 1.00 0.00 H new ATOM 0 HG2 GLN C 11 140.724 -7.302 0.912 1.00 0.00 H new ATOM 0 HG3 GLN C 11 140.806 -5.581 0.589 1.00 0.00 H new ATOM 0 HE21 GLN C 11 140.754 -7.959 2.935 1.00 0.00 H new ATOM 0 HE22 GLN C 11 140.411 -6.957 4.349 1.00 0.00 H new ATOM 1029 N ALA C 12 136.482 -5.268 1.964 1.00 0.00 N ATOM 1030 CA ALA C 12 135.369 -4.351 2.034 1.00 0.00 C ATOM 1031 C ALA C 12 135.674 -3.100 1.268 1.00 0.00 C ATOM 1032 O ALA C 12 136.754 -2.523 1.379 1.00 0.00 O ATOM 1033 CB ALA C 12 135.010 -4.037 3.482 1.00 0.00 C ATOM 0 H ALA C 12 137.221 -5.088 2.644 1.00 0.00 H new ATOM 0 HA ALA C 12 134.502 -4.827 1.576 1.00 0.00 H new ATOM 0 HB1 ALA C 12 134.169 -3.344 3.506 1.00 0.00 H new ATOM 0 HB2 ALA C 12 134.737 -4.958 3.997 1.00 0.00 H new ATOM 0 HB3 ALA C 12 135.868 -3.584 3.979 1.00 0.00 H new ATOM 1039 N TYR C 13 134.704 -2.687 0.489 1.00 0.00 N ATOM 1040 CA TYR C 13 134.830 -1.506 -0.316 1.00 0.00 C ATOM 1041 C TYR C 13 133.800 -0.505 0.080 1.00 0.00 C ATOM 1042 O TYR C 13 132.725 -0.853 0.571 1.00 0.00 O ATOM 1043 CB TYR C 13 134.610 -1.815 -1.771 1.00 0.00 C ATOM 1044 CG TYR C 13 135.784 -2.503 -2.384 1.00 0.00 C ATOM 1045 CD1 TYR C 13 136.956 -1.822 -2.583 1.00 0.00 C ATOM 1046 CD2 TYR C 13 135.732 -3.832 -2.706 1.00 0.00 C ATOM 1047 CE1 TYR C 13 138.061 -2.446 -3.101 1.00 0.00 C ATOM 1048 CE2 TYR C 13 136.833 -4.488 -3.221 1.00 0.00 C ATOM 1049 CZ TYR C 13 138.001 -3.786 -3.420 1.00 0.00 C ATOM 1050 OH TYR C 13 139.108 -4.423 -3.932 1.00 0.00 O ATOM 0 H TYR C 13 133.807 -3.163 0.398 1.00 0.00 H new ATOM 0 HA TYR C 13 135.837 -1.118 -0.163 1.00 0.00 H new ATOM 0 HB2 TYR C 13 133.726 -2.444 -1.878 1.00 0.00 H new ATOM 0 HB3 TYR C 13 134.410 -0.890 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR C 13 137.010 -0.774 -2.327 1.00 0.00 H new ATOM 0 HD2 TYR C 13 134.813 -4.378 -2.555 1.00 0.00 H new ATOM 0 HE1 TYR C 13 138.974 -1.891 -3.258 1.00 0.00 H new ATOM 0 HE2 TYR C 13 136.779 -5.539 -3.465 1.00 0.00 H new ATOM 0 HH TYR C 13 139.469 -3.902 -4.679 1.00 0.00 H new ATOM 1060 N VAL C 14 134.101 0.728 -0.185 1.00 0.00 N ATOM 1061 CA VAL C 14 133.180 1.774 0.083 1.00 0.00 C ATOM 1062 C VAL C 14 132.852 2.445 -1.214 1.00 0.00 C ATOM 1063 O VAL C 14 133.558 2.267 -2.208 1.00 0.00 O ATOM 1064 CB VAL C 14 133.719 2.733 1.137 1.00 0.00 C ATOM 1065 CG1 VAL C 14 135.218 2.935 1.026 1.00 0.00 C ATOM 1066 CG2 VAL C 14 132.986 4.047 1.124 1.00 0.00 C ATOM 0 H VAL C 14 134.987 1.031 -0.590 1.00 0.00 H new ATOM 0 HA VAL C 14 132.260 1.374 0.510 1.00 0.00 H new ATOM 0 HB VAL C 14 133.535 2.262 2.103 1.00 0.00 H new ATOM 0 HG11 VAL C 14 135.550 3.627 1.800 1.00 0.00 H new ATOM 0 HG12 VAL C 14 135.724 1.978 1.153 1.00 0.00 H new ATOM 0 HG13 VAL C 14 135.458 3.345 0.045 1.00 0.00 H new ATOM 0 HG21 VAL C 14 133.400 4.702 1.890 1.00 0.00 H new ATOM 0 HG22 VAL C 14 133.097 4.516 0.146 1.00 0.00 H new ATOM 0 HG23 VAL C 14 131.929 3.876 1.326 1.00 0.00 H new ATOM 1076 N ARG C 15 131.755 3.157 -1.238 1.00 0.00 N ATOM 1077 CA ARG C 15 131.333 3.765 -2.473 1.00 0.00 C ATOM 1078 C ARG C 15 131.600 5.260 -2.456 1.00 0.00 C ATOM 1079 O ARG C 15 130.920 6.045 -1.797 1.00 0.00 O ATOM 1080 CB ARG C 15 129.848 3.421 -2.723 1.00 0.00 C ATOM 1081 CG ARG C 15 129.487 2.818 -4.080 1.00 0.00 C ATOM 1082 CD ARG C 15 130.465 3.116 -5.198 1.00 0.00 C ATOM 1083 NE ARG C 15 129.880 3.983 -6.232 1.00 0.00 N ATOM 1084 CZ ARG C 15 129.628 5.284 -6.049 1.00 0.00 C ATOM 1085 NH1 ARG C 15 130.098 5.897 -4.978 1.00 0.00 N ATOM 1086 NH2 ARG C 15 128.939 5.982 -6.927 1.00 0.00 N ATOM 0 H ARG C 15 131.149 3.328 -0.435 1.00 0.00 H new ATOM 0 HA ARG C 15 131.913 3.366 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG C 15 129.528 2.724 -1.948 1.00 0.00 H new ATOM 0 HB3 ARG C 15 129.264 4.332 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG C 15 129.405 1.737 -3.969 1.00 0.00 H new ATOM 0 HG3 ARG C 15 128.503 3.184 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG C 15 131.352 3.595 -4.784 1.00 0.00 H new ATOM 0 HD3 ARG C 15 130.791 2.180 -5.653 1.00 0.00 H new ATOM 0 HE ARG C 15 129.654 3.570 -7.137 1.00 0.00 H new ATOM 0 HH11 ARG C 15 130.650 5.379 -4.295 1.00 0.00 H new ATOM 0 HH12 ARG C 15 129.909 6.889 -4.834 1.00 0.00 H new ATOM 0 HH21 ARG C 15 128.584 5.532 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG C 15 128.761 6.973 -6.764 1.00 0.00 H new ATOM 1100 N LYS C 16 132.613 5.619 -3.249 1.00 0.00 N ATOM 1101 CA LYS C 16 133.045 6.993 -3.431 1.00 0.00 C ATOM 1102 C LYS C 16 133.332 7.272 -4.905 1.00 0.00 C ATOM 1103 O LYS C 16 134.143 6.576 -5.513 1.00 0.00 O ATOM 1104 CB LYS C 16 134.295 7.268 -2.581 1.00 0.00 C ATOM 1105 CG LYS C 16 135.593 7.346 -3.375 1.00 0.00 C ATOM 1106 CD LYS C 16 136.716 7.928 -2.535 1.00 0.00 C ATOM 1107 CE LYS C 16 136.765 9.426 -2.655 1.00 0.00 C ATOM 1108 NZ LYS C 16 136.894 9.863 -4.072 1.00 0.00 N ATOM 0 H LYS C 16 133.160 4.947 -3.788 1.00 0.00 H new ATOM 0 HA LYS C 16 132.245 7.658 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS C 16 134.155 8.206 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS C 16 134.389 6.483 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS C 16 135.872 6.350 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS C 16 135.443 7.961 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS C 16 136.575 7.649 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS C 16 137.669 7.504 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS C 16 135.861 9.855 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS C 16 137.607 9.810 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 137.306 10.817 -4.105 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 137.511 9.201 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 135.955 9.876 -4.518 1.00 0.00 H new ATOM 1122 N ASP C 17 132.741 8.311 -5.465 1.00 0.00 N ATOM 1123 CA ASP C 17 133.032 8.684 -6.845 1.00 0.00 C ATOM 1124 C ASP C 17 132.798 7.547 -7.842 1.00 0.00 C ATOM 1125 O ASP C 17 133.622 7.313 -8.728 1.00 0.00 O ATOM 1126 CB ASP C 17 134.483 9.168 -6.936 1.00 0.00 C ATOM 1127 CG ASP C 17 134.588 10.679 -6.951 1.00 0.00 C ATOM 1128 OD1 ASP C 17 133.747 11.338 -6.304 1.00 0.00 O ATOM 1129 OD2 ASP C 17 135.509 11.205 -7.611 1.00 0.00 O ATOM 0 H ASP C 17 132.062 8.909 -4.995 1.00 0.00 H new ATOM 0 HA ASP C 17 132.339 9.480 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP C 17 135.048 8.776 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP C 17 134.941 8.766 -7.839 1.00 0.00 H new ATOM 1134 N GLY C 18 131.672 6.858 -7.726 1.00 0.00 N ATOM 1135 CA GLY C 18 131.354 5.781 -8.649 1.00 0.00 C ATOM 1136 C GLY C 18 132.351 4.636 -8.659 1.00 0.00 C ATOM 1137 O GLY C 18 132.339 3.826 -9.586 1.00 0.00 O ATOM 0 H GLY C 18 130.968 7.025 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY C 18 130.370 5.385 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY C 18 131.285 6.193 -9.656 1.00 0.00 H new ATOM 1141 N GLU C 19 133.218 4.546 -7.653 1.00 0.00 N ATOM 1142 CA GLU C 19 134.194 3.468 -7.617 1.00 0.00 C ATOM 1143 C GLU C 19 134.249 2.830 -6.245 1.00 0.00 C ATOM 1144 O GLU C 19 133.805 3.417 -5.258 1.00 0.00 O ATOM 1145 CB GLU C 19 135.583 3.992 -7.983 1.00 0.00 C ATOM 1146 CG GLU C 19 135.668 5.507 -8.101 1.00 0.00 C ATOM 1147 CD GLU C 19 137.091 6.021 -8.002 1.00 0.00 C ATOM 1148 OE1 GLU C 19 137.557 6.264 -6.869 1.00 0.00 O ATOM 1149 OE2 GLU C 19 137.739 6.180 -9.058 1.00 0.00 O ATOM 0 H GLU C 19 133.263 5.195 -6.867 1.00 0.00 H new ATOM 0 HA GLU C 19 133.884 2.718 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU C 19 136.295 3.657 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU C 19 135.889 3.547 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU C 19 135.239 5.818 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU C 19 135.065 5.963 -7.316 1.00 0.00 H new ATOM 1156 N TRP C 20 134.808 1.629 -6.182 1.00 0.00 N ATOM 1157 CA TRP C 20 134.928 0.932 -4.926 1.00 0.00 C ATOM 1158 C TRP C 20 136.316 1.106 -4.347 1.00 0.00 C ATOM 1159 O TRP C 20 137.317 0.750 -4.968 1.00 0.00 O ATOM 1160 CB TRP C 20 134.603 -0.557 -5.059 1.00 0.00 C ATOM 1161 CG TRP C 20 133.167 -0.771 -5.349 1.00 0.00 C ATOM 1162 CD1 TRP C 20 132.601 -1.243 -6.498 1.00 0.00 C ATOM 1163 CD2 TRP C 20 132.100 -0.484 -4.460 1.00 0.00 C ATOM 1164 NE1 TRP C 20 131.234 -1.263 -6.362 1.00 0.00 N ATOM 1165 CE2 TRP C 20 130.913 -0.805 -5.123 1.00 0.00 C ATOM 1166 CE3 TRP C 20 132.034 0.013 -3.159 1.00 0.00 C ATOM 1167 CZ2 TRP C 20 129.681 -0.645 -4.538 1.00 0.00 C ATOM 1168 CZ3 TRP C 20 130.805 0.171 -2.579 1.00 0.00 C ATOM 1169 CH2 TRP C 20 129.641 -0.161 -3.271 1.00 0.00 C ATOM 0 H TRP C 20 135.182 1.126 -6.987 1.00 0.00 H new ATOM 0 HA TRP C 20 134.197 1.373 -4.248 1.00 0.00 H new ATOM 0 HB2 TRP C 20 135.206 -0.993 -5.856 1.00 0.00 H new ATOM 0 HB3 TRP C 20 134.871 -1.074 -4.137 1.00 0.00 H new ATOM 0 HD1 TRP C 20 133.144 -1.553 -7.378 1.00 0.00 H new ATOM 0 HE1 TRP C 20 130.570 -1.570 -7.073 1.00 0.00 H new ATOM 0 HE3 TRP C 20 132.935 0.268 -2.620 1.00 0.00 H new ATOM 0 HZ2 TRP C 20 128.774 -0.896 -5.069 1.00 0.00 H new ATOM 0 HZ3 TRP C 20 130.736 0.558 -1.573 1.00 0.00 H new ATOM 0 HH2 TRP C 20 128.685 -0.030 -2.787 1.00 0.00 H new ATOM 1180 N VAL C 21 136.359 1.629 -3.140 1.00 0.00 N ATOM 1181 CA VAL C 21 137.618 1.827 -2.441 1.00 0.00 C ATOM 1182 C VAL C 21 137.636 1.003 -1.193 1.00 0.00 C ATOM 1183 O VAL C 21 136.649 0.910 -0.470 1.00 0.00 O ATOM 1184 CB VAL C 21 137.882 3.282 -2.025 1.00 0.00 C ATOM 1185 CG1 VAL C 21 139.322 3.433 -1.561 1.00 0.00 C ATOM 1186 CG2 VAL C 21 137.593 4.289 -3.129 1.00 0.00 C ATOM 0 H VAL C 21 135.535 1.927 -2.618 1.00 0.00 H new ATOM 0 HA VAL C 21 138.392 1.532 -3.149 1.00 0.00 H new ATOM 0 HB VAL C 21 137.192 3.502 -1.210 1.00 0.00 H new ATOM 0 HG11 VAL C 21 139.503 4.467 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL C 21 139.500 2.777 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL C 21 139.996 3.163 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL C 21 137.801 5.296 -2.767 1.00 0.00 H new ATOM 0 HG22 VAL C 21 138.225 4.076 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL C 21 136.545 4.218 -3.421 1.00 0.00 H new ATOM 1196 N LEU C 22 138.771 0.407 -0.950 1.00 0.00 N ATOM 1197 CA LEU C 22 138.948 -0.414 0.212 1.00 0.00 C ATOM 1198 C LEU C 22 138.621 0.358 1.473 1.00 0.00 C ATOM 1199 O LEU C 22 139.163 1.433 1.729 1.00 0.00 O ATOM 1200 CB LEU C 22 140.351 -0.972 0.240 1.00 0.00 C ATOM 1201 CG LEU C 22 140.412 -2.487 0.013 1.00 0.00 C ATOM 1202 CD1 LEU C 22 141.731 -3.057 0.470 1.00 0.00 C ATOM 1203 CD2 LEU C 22 139.274 -3.199 0.727 1.00 0.00 C ATOM 0 H LEU C 22 139.594 0.477 -1.549 1.00 0.00 H new ATOM 0 HA LEU C 22 138.254 -1.253 0.164 1.00 0.00 H new ATOM 0 HB2 LEU C 22 140.947 -0.474 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU C 22 140.807 -0.738 1.202 1.00 0.00 H new ATOM 0 HG LEU C 22 140.311 -2.652 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU C 22 141.742 -4.133 0.295 1.00 0.00 H new ATOM 0 HD12 LEU C 22 142.542 -2.590 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU C 22 141.863 -2.861 1.534 1.00 0.00 H new ATOM 0 HD21 LEU C 22 139.346 -4.272 0.546 1.00 0.00 H new ATOM 0 HD22 LEU C 22 139.339 -3.006 1.798 1.00 0.00 H new ATOM 0 HD23 LEU C 22 138.320 -2.830 0.349 1.00 0.00 H new ATOM 1215 N LEU C 23 137.725 -0.213 2.251 1.00 0.00 N ATOM 1216 CA LEU C 23 137.284 0.380 3.498 1.00 0.00 C ATOM 1217 C LEU C 23 138.450 0.623 4.420 1.00 0.00 C ATOM 1218 O LEU C 23 138.466 1.584 5.190 1.00 0.00 O ATOM 1219 CB LEU C 23 136.329 -0.573 4.180 1.00 0.00 C ATOM 1220 CG LEU C 23 136.007 -0.252 5.643 1.00 0.00 C ATOM 1221 CD1 LEU C 23 134.904 0.773 5.784 1.00 0.00 C ATOM 1222 CD2 LEU C 23 135.628 -1.508 6.385 1.00 0.00 C ATOM 0 H LEU C 23 137.280 -1.105 2.036 1.00 0.00 H new ATOM 0 HA LEU C 23 136.800 1.332 3.278 1.00 0.00 H new ATOM 0 HB2 LEU C 23 135.396 -0.590 3.616 1.00 0.00 H new ATOM 0 HB3 LEU C 23 136.749 -1.578 4.131 1.00 0.00 H new ATOM 0 HG LEU C 23 136.911 0.176 6.076 1.00 0.00 H new ATOM 0 HD11 LEU C 23 134.717 0.963 6.841 1.00 0.00 H new ATOM 0 HD12 LEU C 23 135.205 1.700 5.296 1.00 0.00 H new ATOM 0 HD13 LEU C 23 133.995 0.396 5.316 1.00 0.00 H new ATOM 0 HD21 LEU C 23 135.402 -1.263 7.423 1.00 0.00 H new ATOM 0 HD22 LEU C 23 134.750 -1.955 5.918 1.00 0.00 H new ATOM 0 HD23 LEU C 23 136.457 -2.215 6.351 1.00 0.00 H new ATOM 1234 N SER C 24 139.407 -0.275 4.366 1.00 0.00 N ATOM 1235 CA SER C 24 140.568 -0.187 5.232 1.00 0.00 C ATOM 1236 C SER C 24 141.374 1.061 4.916 1.00 0.00 C ATOM 1237 O SER C 24 142.183 1.499 5.735 1.00 0.00 O ATOM 1238 CB SER C 24 141.448 -1.430 5.080 1.00 0.00 C ATOM 1239 OG SER C 24 141.996 -1.822 6.327 1.00 0.00 O ATOM 0 H SER C 24 139.408 -1.075 3.733 1.00 0.00 H new ATOM 0 HA SER C 24 140.220 -0.129 6.263 1.00 0.00 H new ATOM 0 HB2 SER C 24 140.859 -2.248 4.665 1.00 0.00 H new ATOM 0 HB3 SER C 24 142.253 -1.226 4.374 1.00 0.00 H new ATOM 0 HG SER C 24 142.553 -2.619 6.204 1.00 0.00 H new ATOM 1245 N THR C 25 141.115 1.681 3.767 1.00 0.00 N ATOM 1246 CA THR C 25 141.796 2.921 3.447 1.00 0.00 C ATOM 1247 C THR C 25 141.219 4.031 4.329 1.00 0.00 C ATOM 1248 O THR C 25 141.821 5.091 4.503 1.00 0.00 O ATOM 1249 CB THR C 25 141.626 3.289 1.966 1.00 0.00 C ATOM 1250 OG1 THR C 25 142.461 2.486 1.149 1.00 0.00 O ATOM 1251 CG2 THR C 25 141.931 4.739 1.650 1.00 0.00 C ATOM 0 H THR C 25 140.455 1.352 3.062 1.00 0.00 H new ATOM 0 HA THR C 25 142.863 2.798 3.634 1.00 0.00 H new ATOM 0 HB THR C 25 140.571 3.112 1.756 1.00 0.00 H new ATOM 0 HG1 THR C 25 142.336 2.735 0.209 1.00 0.00 H new ATOM 0 HG21 THR C 25 141.787 4.917 0.584 1.00 0.00 H new ATOM 0 HG22 THR C 25 141.262 5.384 2.219 1.00 0.00 H new ATOM 0 HG23 THR C 25 142.964 4.960 1.919 1.00 0.00 H new ATOM 1259 N PHE C 26 140.023 3.762 4.867 1.00 0.00 N ATOM 1260 CA PHE C 26 139.303 4.700 5.718 1.00 0.00 C ATOM 1261 C PHE C 26 139.488 4.372 7.200 1.00 0.00 C ATOM 1262 O PHE C 26 139.092 5.147 8.065 1.00 0.00 O ATOM 1263 CB PHE C 26 137.821 4.703 5.322 1.00 0.00 C ATOM 1264 CG PHE C 26 137.594 5.304 3.952 1.00 0.00 C ATOM 1265 CD1 PHE C 26 137.526 6.679 3.780 1.00 0.00 C ATOM 1266 CD2 PHE C 26 137.489 4.495 2.832 1.00 0.00 C ATOM 1267 CE1 PHE C 26 137.349 7.231 2.522 1.00 0.00 C ATOM 1268 CE2 PHE C 26 137.320 5.038 1.574 1.00 0.00 C ATOM 1269 CZ PHE C 26 137.248 6.411 1.414 1.00 0.00 C ATOM 0 H PHE C 26 139.530 2.881 4.720 1.00 0.00 H new ATOM 0 HA PHE C 26 139.712 5.699 5.570 1.00 0.00 H new ATOM 0 HB2 PHE C 26 137.442 3.681 5.336 1.00 0.00 H new ATOM 0 HB3 PHE C 26 137.251 5.265 6.062 1.00 0.00 H new ATOM 0 HD1 PHE C 26 137.612 7.328 4.639 1.00 0.00 H new ATOM 0 HD2 PHE C 26 137.540 3.422 2.945 1.00 0.00 H new ATOM 0 HE1 PHE C 26 137.290 8.303 2.407 1.00 0.00 H new ATOM 0 HE2 PHE C 26 137.244 4.390 0.713 1.00 0.00 H new ATOM 0 HZ PHE C 26 137.114 6.838 0.431 1.00 0.00 H new ATOM 1279 N LEU C 27 140.126 3.245 7.500 1.00 0.00 N ATOM 1280 CA LEU C 27 140.374 2.862 8.885 1.00 0.00 C ATOM 1281 C LEU C 27 141.844 3.048 9.246 1.00 0.00 C ATOM 1282 O LEU C 27 142.142 3.937 10.071 1.00 0.00 O ATOM 1283 CB LEU C 27 139.958 1.409 9.116 1.00 0.00 C ATOM 1284 CG LEU C 27 138.499 1.097 8.785 1.00 0.00 C ATOM 1285 CD1 LEU C 27 138.251 -0.397 8.828 1.00 0.00 C ATOM 1286 CD2 LEU C 27 137.568 1.805 9.753 1.00 0.00 C ATOM 1287 OXT LEU C 27 142.686 2.303 8.701 1.00 0.00 O ATOM 0 H LEU C 27 140.479 2.585 6.807 1.00 0.00 H new ATOM 0 HA LEU C 27 139.777 3.509 9.528 1.00 0.00 H new ATOM 0 HB2 LEU C 27 140.598 0.763 8.515 1.00 0.00 H new ATOM 0 HB3 LEU C 27 140.141 1.156 10.160 1.00 0.00 H new ATOM 0 HG LEU C 27 138.296 1.458 7.777 1.00 0.00 H new ATOM 0 HD11 LEU C 27 137.207 -0.599 8.590 1.00 0.00 H new ATOM 0 HD12 LEU C 27 138.892 -0.893 8.100 1.00 0.00 H new ATOM 0 HD13 LEU C 27 138.475 -0.774 9.826 1.00 0.00 H new ATOM 0 HD21 LEU C 27 136.534 1.570 9.501 1.00 0.00 H new ATOM 0 HD22 LEU C 27 137.778 1.472 10.769 1.00 0.00 H new ATOM 0 HD23 LEU C 27 137.723 2.882 9.685 1.00 0.00 H new