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= -4.57! C(o=-4.6!,f=-12!) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0489 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0.231 (180deg=0.0815) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= -2.01! C(o=-2!,f=-9.3!) USER MOD Single : B 13 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 GLY N :NH3+ -122:sc= 0.0868 (180deg=0) USER MOD Single : C 2 TYR OH : rot -131:sc= 0.0685 USER MOD Single : C 11 GLN : amide:sc= -4.63 K(o=-4.6,f=-11!) USER MOD Single : C 13 TYR OH : rot 165:sc= 0 USER MOD Single : C 16 LYS NZ :NH3+ 154:sc= -2.66! (180deg=-3.67!) 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 2 126.055 -4.375 -11.961 1.00 0.00 N ATOM 11 CA TYR A 2 125.761 -3.737 -10.684 1.00 0.00 C ATOM 12 C TYR A 2 125.664 -4.764 -9.546 1.00 0.00 C ATOM 13 O TYR A 2 125.524 -5.963 -9.786 1.00 0.00 O ATOM 14 CB TYR A 2 124.453 -2.964 -10.764 1.00 0.00 C ATOM 15 CG TYR A 2 124.393 -1.882 -11.818 1.00 0.00 C ATOM 16 CD1 TYR A 2 125.460 -1.033 -12.035 1.00 0.00 C ATOM 17 CD2 TYR A 2 123.248 -1.701 -12.578 1.00 0.00 C ATOM 18 CE1 TYR A 2 125.399 -0.031 -12.984 1.00 0.00 C ATOM 19 CE2 TYR A 2 123.171 -0.701 -13.529 1.00 0.00 C ATOM 20 CZ TYR A 2 124.251 0.132 -13.729 1.00 0.00 C ATOM 21 OH TYR A 2 124.181 1.134 -14.672 1.00 0.00 O ATOM 0 HA TYR A 2 126.584 -3.055 -10.470 1.00 0.00 H new ATOM 0 HB2 TYR A 2 123.645 -3.672 -10.950 1.00 0.00 H new ATOM 0 HB3 TYR A 2 124.261 -2.510 -9.792 1.00 0.00 H new ATOM 0 HD1 TYR A 2 126.360 -1.155 -11.451 1.00 0.00 H new ATOM 0 HD2 TYR A 2 122.401 -2.353 -12.424 1.00 0.00 H new ATOM 0 HE1 TYR A 2 126.246 0.621 -13.141 1.00 0.00 H new ATOM 0 HE2 TYR A 2 122.271 -0.573 -14.112 1.00 0.00 H new ATOM 0 HH TYR A 2 123.304 1.111 -15.109 1.00 0.00 H new ATOM 31 N ILE A 3 125.706 -4.269 -8.308 1.00 0.00 N ATOM 32 CA ILE A 3 125.578 -5.111 -7.111 1.00 0.00 C ATOM 33 C ILE A 3 124.154 -5.096 -6.591 1.00 0.00 C ATOM 34 O ILE A 3 123.398 -4.162 -6.857 1.00 0.00 O ATOM 35 CB ILE A 3 126.428 -4.660 -5.917 1.00 0.00 C ATOM 36 CG1 ILE A 3 126.706 -3.168 -5.954 1.00 0.00 C ATOM 37 CG2 ILE A 3 127.718 -5.443 -5.792 1.00 0.00 C ATOM 38 CD1 ILE A 3 127.273 -2.654 -4.655 1.00 0.00 C ATOM 0 H ILE A 3 125.829 -3.277 -8.104 1.00 0.00 H new ATOM 0 HA ILE A 3 125.911 -6.091 -7.454 1.00 0.00 H new ATOM 0 HB ILE A 3 125.835 -4.872 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 3 127.404 -2.952 -6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 3 125.782 -2.635 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 3 128.280 -5.083 -4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 3 127.490 -6.501 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 3 128.313 -5.310 -6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 3 127.453 -1.582 -4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 3 126.564 -2.843 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 3 128.212 -3.165 -4.440 1.00 0.00 H new ATOM 50 N PRO A 4 123.784 -6.099 -5.786 1.00 0.00 N ATOM 51 CA PRO A 4 122.476 -6.151 -5.180 1.00 0.00 C ATOM 52 C PRO A 4 122.413 -5.293 -3.910 1.00 0.00 C ATOM 53 O PRO A 4 123.396 -5.130 -3.191 1.00 0.00 O ATOM 54 CB PRO A 4 122.258 -7.635 -4.888 1.00 0.00 C ATOM 55 CG PRO A 4 123.626 -8.263 -4.899 1.00 0.00 C ATOM 56 CD PRO A 4 124.625 -7.217 -5.351 1.00 0.00 C ATOM 0 HA PRO A 4 121.697 -5.746 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 4 121.771 -7.776 -3.923 1.00 0.00 H new ATOM 0 HB3 PRO A 4 121.613 -8.090 -5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 4 123.884 -8.630 -3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 4 123.645 -9.121 -5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 4 125.293 -6.924 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 4 125.252 -7.586 -6.163 1.00 0.00 H new ATOM 64 N GLU A 5 121.234 -4.711 -3.708 1.00 0.00 N ATOM 65 CA GLU A 5 120.930 -3.796 -2.605 1.00 0.00 C ATOM 66 C GLU A 5 121.166 -4.401 -1.219 1.00 0.00 C ATOM 67 O GLU A 5 120.884 -5.575 -0.975 1.00 0.00 O ATOM 68 CB GLU A 5 119.464 -3.353 -2.730 1.00 0.00 C ATOM 69 CG GLU A 5 118.917 -2.616 -1.515 1.00 0.00 C ATOM 70 CD GLU A 5 118.105 -1.394 -1.901 1.00 0.00 C ATOM 71 OE1 GLU A 5 117.181 -1.535 -2.729 1.00 0.00 O ATOM 72 OE2 GLU A 5 118.396 -0.298 -1.379 1.00 0.00 O ATOM 0 H GLU A 5 120.437 -4.866 -4.325 1.00 0.00 H new ATOM 0 HA GLU A 5 121.614 -2.951 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 5 119.367 -2.708 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 5 118.847 -4.233 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 5 118.294 -3.294 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 5 119.745 -2.312 -0.874 1.00 0.00 H new ATOM 79 N ALA A 6 121.663 -3.556 -0.312 1.00 0.00 N ATOM 80 CA ALA A 6 121.923 -3.950 1.070 1.00 0.00 C ATOM 81 C ALA A 6 120.654 -3.818 1.914 1.00 0.00 C ATOM 82 O ALA A 6 119.693 -3.165 1.508 1.00 0.00 O ATOM 83 CB ALA A 6 123.046 -3.107 1.670 1.00 0.00 C ATOM 0 H ALA A 6 121.895 -2.584 -0.516 1.00 0.00 H new ATOM 0 HA ALA A 6 122.236 -4.994 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 6 123.223 -3.417 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 6 123.957 -3.246 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 6 122.761 -2.055 1.652 1.00 0.00 H new ATOM 89 N PRO A 7 120.637 -4.445 3.103 1.00 0.00 N ATOM 90 CA PRO A 7 119.483 -4.405 4.012 1.00 0.00 C ATOM 91 C PRO A 7 119.083 -2.984 4.400 1.00 0.00 C ATOM 92 O PRO A 7 119.925 -2.085 4.441 1.00 0.00 O ATOM 93 CB PRO A 7 119.970 -5.157 5.256 1.00 0.00 C ATOM 94 CG PRO A 7 121.135 -5.973 4.805 1.00 0.00 C ATOM 95 CD PRO A 7 121.750 -5.239 3.648 1.00 0.00 C ATOM 0 HA PRO A 7 118.600 -4.839 3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 7 120.260 -4.463 6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 7 119.182 -5.791 5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 7 121.857 -6.098 5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 7 120.816 -6.971 4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 7 122.574 -4.603 3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 7 122.151 -5.928 2.905 1.00 0.00 H new ATOM 103 N ARG A 8 117.796 -2.782 4.689 1.00 0.00 N ATOM 104 CA ARG A 8 117.294 -1.469 5.079 1.00 0.00 C ATOM 105 C ARG A 8 116.838 -1.437 6.539 1.00 0.00 C ATOM 106 O ARG A 8 115.688 -1.112 6.834 1.00 0.00 O ATOM 107 CB ARG A 8 116.167 -1.026 4.170 1.00 0.00 C ATOM 108 CG ARG A 8 116.619 -0.791 2.742 1.00 0.00 C ATOM 109 CD ARG A 8 115.583 -0.018 1.956 1.00 0.00 C ATOM 110 NE ARG A 8 114.563 -0.894 1.379 1.00 0.00 N ATOM 111 CZ ARG A 8 114.814 -1.817 0.453 1.00 0.00 C ATOM 112 NH1 ARG A 8 116.045 -1.983 -0.016 1.00 0.00 N ATOM 113 NH2 ARG A 8 113.830 -2.577 -0.009 1.00 0.00 N ATOM 0 H ARG A 8 117.085 -3.513 4.659 1.00 0.00 H new ATOM 0 HA ARG A 8 118.125 -0.771 4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 8 115.382 -1.782 4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 8 115.729 -0.108 4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 8 117.561 -0.243 2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 8 116.807 -1.748 2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 8 115.105 0.713 2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 8 116.075 0.539 1.159 1.00 0.00 H new ATOM 0 HE ARG A 8 113.602 -0.791 1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 8 116.807 -1.401 0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 8 116.229 -2.692 -0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 8 112.881 -2.454 0.345 1.00 0.00 H new ATOM 0 HH22 ARG A 8 114.022 -3.284 -0.718 1.00 0.00 H new ATOM 127 N ASP A 9 117.753 -1.756 7.444 1.00 0.00 N ATOM 128 CA ASP A 9 117.463 -1.747 8.878 1.00 0.00 C ATOM 129 C ASP A 9 118.222 -0.621 9.576 1.00 0.00 C ATOM 130 O ASP A 9 118.346 -0.619 10.801 1.00 0.00 O ATOM 131 CB ASP A 9 117.866 -3.073 9.530 1.00 0.00 C ATOM 132 CG ASP A 9 116.673 -3.968 9.801 1.00 0.00 C ATOM 133 OD1 ASP A 9 115.721 -3.504 10.465 1.00 0.00 O ATOM 134 OD2 ASP A 9 116.690 -5.133 9.351 1.00 0.00 O ATOM 0 H ASP A 9 118.709 -2.026 7.212 1.00 0.00 H new ATOM 0 HA ASP A 9 116.389 -1.596 8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 9 118.569 -3.595 8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 9 118.386 -2.871 10.466 1.00 0.00 H new ATOM 139 N GLY A 10 118.732 0.328 8.802 1.00 0.00 N ATOM 140 CA GLY A 10 119.471 1.425 9.394 1.00 0.00 C ATOM 141 C GLY A 10 120.878 1.020 9.752 1.00 0.00 C ATOM 142 O GLY A 10 121.560 1.724 10.492 1.00 0.00 O ATOM 0 H GLY A 10 118.649 0.358 7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 10 119.500 2.263 8.697 1.00 0.00 H new ATOM 0 HA3 GLY A 10 118.953 1.772 10.288 1.00 0.00 H new ATOM 146 N GLN A 11 121.324 -0.115 9.226 1.00 0.00 N ATOM 147 CA GLN A 11 122.671 -0.572 9.497 1.00 0.00 C ATOM 148 C GLN A 11 123.513 -0.276 8.287 1.00 0.00 C ATOM 149 O GLN A 11 123.036 -0.387 7.158 1.00 0.00 O ATOM 150 CB GLN A 11 122.708 -2.043 9.820 1.00 0.00 C ATOM 151 CG GLN A 11 121.878 -2.420 11.032 1.00 0.00 C ATOM 152 CD GLN A 11 122.734 -2.738 12.242 1.00 0.00 C ATOM 153 OE1 GLN A 11 123.961 -2.742 12.160 1.00 0.00 O ATOM 154 NE2 GLN A 11 122.099 -2.995 13.380 1.00 0.00 N ATOM 0 H GLN A 11 120.777 -0.725 8.618 1.00 0.00 H new ATOM 0 HA GLN A 11 123.060 -0.050 10.371 1.00 0.00 H new ATOM 0 HB2 GLN A 11 122.351 -2.605 8.957 1.00 0.00 H new ATOM 0 HB3 GLN A 11 123.742 -2.343 9.991 1.00 0.00 H new ATOM 0 HG2 GLN A 11 121.201 -1.601 11.274 1.00 0.00 H new ATOM 0 HG3 GLN A 11 121.259 -3.284 10.791 1.00 0.00 H new ATOM 0 HE21 GLN A 11 121.079 -2.982 13.409 1.00 0.00 H new ATOM 0 HE22 GLN A 11 122.631 -3.205 14.225 1.00 0.00 H new ATOM 163 N ALA A 12 124.744 0.137 8.503 1.00 0.00 N ATOM 164 CA ALA A 12 125.625 0.503 7.422 1.00 0.00 C ATOM 165 C ALA A 12 126.452 -0.647 6.942 1.00 0.00 C ATOM 166 O ALA A 12 127.022 -1.400 7.720 1.00 0.00 O ATOM 167 CB ALA A 12 126.503 1.665 7.836 1.00 0.00 C ATOM 0 H ALA A 12 125.158 0.227 9.431 1.00 0.00 H new ATOM 0 HA ALA A 12 125.001 0.808 6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 12 127.164 1.933 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 12 125.878 2.520 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 12 127.100 1.379 8.702 1.00 0.00 H new ATOM 173 N TYR A 13 126.488 -0.782 5.635 1.00 0.00 N ATOM 174 CA TYR A 13 127.211 -1.856 5.016 1.00 0.00 C ATOM 175 C TYR A 13 128.323 -1.378 4.117 1.00 0.00 C ATOM 176 O TYR A 13 128.281 -0.307 3.511 1.00 0.00 O ATOM 177 CB TYR A 13 126.262 -2.720 4.229 1.00 0.00 C ATOM 178 CG TYR A 13 125.379 -3.509 5.136 1.00 0.00 C ATOM 179 CD1 TYR A 13 125.886 -4.596 5.802 1.00 0.00 C ATOM 180 CD2 TYR A 13 124.076 -3.150 5.357 1.00 0.00 C ATOM 181 CE1 TYR A 13 125.117 -5.321 6.669 1.00 0.00 C ATOM 182 CE2 TYR A 13 123.283 -3.866 6.232 1.00 0.00 C ATOM 183 CZ TYR A 13 123.810 -4.955 6.888 1.00 0.00 C ATOM 184 OH TYR A 13 123.029 -5.676 7.762 1.00 0.00 O ATOM 0 H TYR A 13 126.020 -0.154 4.982 1.00 0.00 H new ATOM 0 HA TYR A 13 127.674 -2.430 5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 13 125.653 -2.095 3.576 1.00 0.00 H new ATOM 0 HB3 TYR A 13 126.827 -3.396 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 13 126.914 -4.885 5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 13 123.663 -2.296 4.840 1.00 0.00 H new ATOM 0 HE1 TYR A 13 125.534 -6.177 7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 13 122.257 -3.574 6.400 1.00 0.00 H new ATOM 0 HH TYR A 13 122.132 -5.282 7.801 1.00 0.00 H new ATOM 194 N VAL A 14 129.295 -2.237 4.044 1.00 0.00 N ATOM 195 CA VAL A 14 130.478 -2.077 3.251 1.00 0.00 C ATOM 196 C VAL A 14 130.350 -3.108 2.162 1.00 0.00 C ATOM 197 O VAL A 14 129.626 -4.090 2.339 1.00 0.00 O ATOM 198 CB VAL A 14 131.696 -2.358 4.157 1.00 0.00 C ATOM 199 CG1 VAL A 14 132.894 -1.459 3.897 1.00 0.00 C ATOM 200 CG2 VAL A 14 131.252 -2.243 5.614 1.00 0.00 C ATOM 0 H VAL A 14 129.284 -3.115 4.563 1.00 0.00 H new ATOM 0 HA VAL A 14 130.602 -1.081 2.827 1.00 0.00 H new ATOM 0 HB VAL A 14 132.042 -3.365 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 14 133.703 -1.725 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 14 133.228 -1.587 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 14 132.611 -0.419 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 14 132.101 -2.439 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 14 130.873 -1.238 5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 14 130.465 -2.970 5.813 1.00 0.00 H new ATOM 210 N ARG A 15 130.983 -2.908 1.037 1.00 0.00 N ATOM 211 CA ARG A 15 130.827 -3.865 -0.027 1.00 0.00 C ATOM 212 C ARG A 15 132.087 -4.704 -0.138 1.00 0.00 C ATOM 213 O ARG A 15 133.144 -4.243 -0.568 1.00 0.00 O ATOM 214 CB ARG A 15 130.473 -3.124 -1.327 1.00 0.00 C ATOM 215 CG ARG A 15 129.312 -3.674 -2.169 1.00 0.00 C ATOM 216 CD ARG A 15 128.988 -5.137 -1.945 1.00 0.00 C ATOM 217 NE ARG A 15 129.201 -5.927 -3.153 1.00 0.00 N ATOM 218 CZ ARG A 15 130.396 -6.326 -3.583 1.00 0.00 C ATOM 219 NH1 ARG A 15 131.473 -6.119 -2.848 1.00 0.00 N ATOM 220 NH2 ARG A 15 130.509 -6.963 -4.738 1.00 0.00 N ATOM 0 H ARG A 15 131.594 -2.117 0.835 1.00 0.00 H new ATOM 0 HA ARG A 15 130.007 -4.553 0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 15 130.241 -2.090 -1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 15 131.363 -3.105 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 15 128.420 -3.084 -1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 15 129.548 -3.528 -3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 15 129.610 -5.528 -1.140 1.00 0.00 H new ATOM 0 HD3 ARG A 15 127.951 -5.235 -1.624 1.00 0.00 H new ATOM 0 HE ARG A 15 128.383 -6.190 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 15 131.392 -5.651 -1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 15 132.386 -6.427 -3.183 1.00 0.00 H new ATOM 0 HH21 ARG A 15 129.679 -7.149 -5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 15 131.426 -7.267 -5.065 1.00 0.00 H new ATOM 234 N LYS A 16 131.931 -5.964 0.281 1.00 0.00 N ATOM 235 CA LYS A 16 133.007 -6.939 0.274 1.00 0.00 C ATOM 236 C LYS A 16 132.541 -8.302 -0.240 1.00 0.00 C ATOM 237 O LYS A 16 131.666 -8.924 0.362 1.00 0.00 O ATOM 238 CB LYS A 16 133.585 -7.047 1.691 1.00 0.00 C ATOM 239 CG LYS A 16 133.882 -8.453 2.184 1.00 0.00 C ATOM 240 CD LYS A 16 134.124 -8.446 3.682 1.00 0.00 C ATOM 241 CE LYS A 16 135.564 -8.721 4.039 1.00 0.00 C ATOM 242 NZ LYS A 16 135.988 -7.960 5.243 1.00 0.00 N ATOM 0 H LYS A 16 131.047 -6.330 0.635 1.00 0.00 H new ATOM 0 HA LYS A 16 133.783 -6.602 -0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 16 134.507 -6.467 1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 16 132.885 -6.581 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 16 133.047 -9.113 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 16 134.757 -8.849 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 16 133.831 -7.478 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 16 133.487 -9.195 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 16 135.697 -9.788 4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 16 136.204 -8.456 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 137.020 -8.026 5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 135.713 -6.962 5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 135.527 -8.359 6.086 1.00 0.00 H new ATOM 256 N ASP A 17 133.151 -8.791 -1.310 1.00 0.00 N ATOM 257 CA ASP A 17 132.808 -10.115 -1.827 1.00 0.00 C ATOM 258 C ASP A 17 131.338 -10.235 -2.219 1.00 0.00 C ATOM 259 O ASP A 17 130.686 -11.229 -1.896 1.00 0.00 O ATOM 260 CB ASP A 17 133.158 -11.183 -0.793 1.00 0.00 C ATOM 261 CG ASP A 17 133.910 -12.349 -1.405 1.00 0.00 C ATOM 262 OD1 ASP A 17 134.969 -12.115 -2.024 1.00 0.00 O ATOM 263 OD2 ASP A 17 133.437 -13.497 -1.268 1.00 0.00 O ATOM 0 H ASP A 17 133.877 -8.302 -1.834 1.00 0.00 H new ATOM 0 HA ASP A 17 133.394 -10.265 -2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 17 133.763 -10.737 -0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 17 132.243 -11.548 -0.326 1.00 0.00 H new ATOM 268 N GLY A 18 130.815 -9.247 -2.933 1.00 0.00 N ATOM 269 CA GLY A 18 129.431 -9.295 -3.364 1.00 0.00 C ATOM 270 C GLY A 18 128.430 -9.289 -2.225 1.00 0.00 C ATOM 271 O GLY A 18 127.259 -9.601 -2.442 1.00 0.00 O ATOM 0 H GLY A 18 131.325 -8.412 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 18 129.233 -8.441 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 18 129.279 -10.193 -3.963 1.00 0.00 H new ATOM 275 N GLU A 19 128.860 -8.956 -1.005 1.00 0.00 N ATOM 276 CA GLU A 19 127.950 -8.954 0.118 1.00 0.00 C ATOM 277 C GLU A 19 128.059 -7.672 0.916 1.00 0.00 C ATOM 278 O GLU A 19 129.062 -6.960 0.843 1.00 0.00 O ATOM 279 CB GLU A 19 128.250 -10.140 1.031 1.00 0.00 C ATOM 280 CG GLU A 19 129.363 -11.053 0.537 1.00 0.00 C ATOM 281 CD GLU A 19 130.038 -11.809 1.663 1.00 0.00 C ATOM 282 OE1 GLU A 19 130.628 -11.152 2.546 1.00 0.00 O ATOM 283 OE2 GLU A 19 129.980 -13.056 1.661 1.00 0.00 O ATOM 0 H GLU A 19 129.819 -8.690 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 19 126.936 -9.031 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 19 128.518 -9.763 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.341 -10.729 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 19 128.953 -11.765 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 19 130.107 -10.459 0.006 1.00 0.00 H new ATOM 290 N TRP A 20 127.021 -7.390 1.686 1.00 0.00 N ATOM 291 CA TRP A 20 126.994 -6.206 2.507 1.00 0.00 C ATOM 292 C TRP A 20 127.403 -6.527 3.933 1.00 0.00 C ATOM 293 O TRP A 20 126.704 -7.245 4.648 1.00 0.00 O ATOM 294 CB TRP A 20 125.612 -5.551 2.473 1.00 0.00 C ATOM 295 CG TRP A 20 125.307 -5.035 1.113 1.00 0.00 C ATOM 296 CD1 TRP A 20 124.379 -5.496 0.228 1.00 0.00 C ATOM 297 CD2 TRP A 20 125.984 -3.962 0.472 1.00 0.00 C ATOM 298 NE1 TRP A 20 124.435 -4.755 -0.930 1.00 0.00 N ATOM 299 CE2 TRP A 20 125.414 -3.809 -0.798 1.00 0.00 C ATOM 300 CE3 TRP A 20 127.020 -3.110 0.857 1.00 0.00 C ATOM 301 CZ2 TRP A 20 125.849 -2.841 -1.687 1.00 0.00 C ATOM 302 CZ3 TRP A 20 127.448 -2.149 -0.025 1.00 0.00 C ATOM 303 CH2 TRP A 20 126.862 -2.021 -1.286 1.00 0.00 C ATOM 0 H TRP A 20 126.186 -7.972 1.755 1.00 0.00 H new ATOM 0 HA TRP A 20 127.715 -5.497 2.100 1.00 0.00 H new ATOM 0 HB2 TRP A 20 124.854 -6.275 2.771 1.00 0.00 H new ATOM 0 HB3 TRP A 20 125.574 -4.734 3.194 1.00 0.00 H new ATOM 0 HD1 TRP A 20 123.702 -6.318 0.408 1.00 0.00 H new ATOM 0 HE1 TRP A 20 123.844 -4.889 -1.751 1.00 0.00 H new ATOM 0 HE3 TRP A 20 127.477 -3.205 1.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 125.401 -2.739 -2.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 128.249 -1.483 0.260 1.00 0.00 H new ATOM 0 HH2 TRP A 20 127.219 -1.255 -1.959 1.00 0.00 H new ATOM 314 N VAL A 21 128.534 -5.969 4.348 1.00 0.00 N ATOM 315 CA VAL A 21 129.028 -6.173 5.702 1.00 0.00 C ATOM 316 C VAL A 21 128.940 -4.892 6.480 1.00 0.00 C ATOM 317 O VAL A 21 129.209 -3.812 5.973 1.00 0.00 O ATOM 318 CB VAL A 21 130.488 -6.646 5.781 1.00 0.00 C ATOM 319 CG1 VAL A 21 130.794 -7.117 7.194 1.00 0.00 C ATOM 320 CG2 VAL A 21 130.816 -7.753 4.792 1.00 0.00 C ATOM 0 H VAL A 21 129.124 -5.373 3.767 1.00 0.00 H new ATOM 0 HA VAL A 21 128.395 -6.959 6.115 1.00 0.00 H new ATOM 0 HB VAL A 21 131.111 -5.792 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 21 131.830 -7.452 7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 21 130.641 -6.295 7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 21 130.131 -7.942 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 21 131.862 -8.040 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 21 130.180 -8.616 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 21 130.641 -7.397 3.777 1.00 0.00 H new ATOM 330 N LEU A 22 128.548 -5.037 7.713 1.00 0.00 N ATOM 331 CA LEU A 22 128.396 -3.922 8.608 1.00 0.00 C ATOM 332 C LEU A 22 129.675 -3.109 8.753 1.00 0.00 C ATOM 333 O LEU A 22 130.741 -3.647 9.051 1.00 0.00 O ATOM 334 CB LEU A 22 127.926 -4.435 9.942 1.00 0.00 C ATOM 335 CG LEU A 22 126.454 -4.154 10.229 1.00 0.00 C ATOM 336 CD1 LEU A 22 126.164 -4.384 11.685 1.00 0.00 C ATOM 337 CD2 LEU A 22 126.081 -2.731 9.829 1.00 0.00 C ATOM 0 H LEU A 22 128.322 -5.940 8.131 1.00 0.00 H new ATOM 0 HA LEU A 22 127.656 -3.241 8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 22 128.096 -5.511 9.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 128.532 -3.984 10.728 1.00 0.00 H new ATOM 0 HG LEU A 22 125.849 -4.838 9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 22 125.111 -4.182 11.883 1.00 0.00 H new ATOM 0 HD12 LEU A 22 126.389 -5.419 11.942 1.00 0.00 H new ATOM 0 HD13 LEU A 22 126.781 -3.718 12.288 1.00 0.00 H new ATOM 0 HD21 LEU A 22 125.027 -2.557 10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 22 126.688 -2.023 10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 22 126.261 -2.594 8.763 1.00 0.00 H new ATOM 349 N LEU A 23 129.548 -1.804 8.552 1.00 0.00 N ATOM 350 CA LEU A 23 130.676 -0.890 8.667 1.00 0.00 C ATOM 351 C LEU A 23 131.244 -0.908 10.068 1.00 0.00 C ATOM 352 O LEU A 23 132.460 -0.896 10.261 1.00 0.00 O ATOM 353 CB LEU A 23 130.233 0.530 8.348 1.00 0.00 C ATOM 354 CG LEU A 23 131.304 1.630 8.519 1.00 0.00 C ATOM 355 CD1 LEU A 23 132.685 1.153 8.111 1.00 0.00 C ATOM 356 CD2 LEU A 23 130.947 2.864 7.716 1.00 0.00 C ATOM 0 H LEU A 23 128.667 -1.352 8.307 1.00 0.00 H new ATOM 0 HA LEU A 23 131.440 -1.215 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 23 129.877 0.555 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 23 129.384 0.776 8.985 1.00 0.00 H new ATOM 0 HG LEU A 23 131.326 1.877 9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 23 133.404 1.960 8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 23 132.973 0.302 8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 23 132.672 0.854 7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.717 3.623 7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.879 2.604 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.988 3.254 8.056 1.00 0.00 H new ATOM 368 N SER A 24 130.363 -0.906 11.052 1.00 0.00 N ATOM 369 CA SER A 24 130.790 -0.888 12.440 1.00 0.00 C ATOM 370 C SER A 24 131.565 -2.150 12.781 1.00 0.00 C ATOM 371 O SER A 24 132.329 -2.165 13.747 1.00 0.00 O ATOM 372 CB SER A 24 129.589 -0.736 13.377 1.00 0.00 C ATOM 373 OG SER A 24 129.465 0.600 13.837 1.00 0.00 O ATOM 0 H SER A 24 129.352 -0.917 10.917 1.00 0.00 H new ATOM 0 HA SER A 24 131.447 -0.029 12.578 1.00 0.00 H new ATOM 0 HB2 SER A 24 128.678 -1.030 12.856 1.00 0.00 H new ATOM 0 HB3 SER A 24 129.701 -1.408 14.228 1.00 0.00 H new ATOM 0 HG SER A 24 128.690 0.670 14.432 1.00 0.00 H new ATOM 379 N THR A 25 131.421 -3.196 11.970 1.00 0.00 N ATOM 380 CA THR A 25 132.185 -4.407 12.215 1.00 0.00 C ATOM 381 C THR A 25 133.657 -4.126 11.911 1.00 0.00 C ATOM 382 O THR A 25 134.553 -4.839 12.363 1.00 0.00 O ATOM 383 CB THR A 25 131.675 -5.574 11.364 1.00 0.00 C ATOM 384 OG1 THR A 25 130.425 -6.032 11.845 1.00 0.00 O ATOM 385 CG2 THR A 25 132.609 -6.763 11.320 1.00 0.00 C ATOM 0 H THR A 25 130.800 -3.228 11.161 1.00 0.00 H new ATOM 0 HA THR A 25 132.068 -4.696 13.259 1.00 0.00 H new ATOM 0 HB THR A 25 131.597 -5.169 10.355 1.00 0.00 H new ATOM 0 HG1 THR A 25 130.113 -6.776 11.289 1.00 0.00 H new ATOM 0 HG21 THR A 25 132.174 -7.545 10.697 1.00 0.00 H new ATOM 0 HG22 THR A 25 133.568 -6.457 10.901 1.00 0.00 H new ATOM 0 HG23 THR A 25 132.759 -7.145 12.330 1.00 0.00 H new ATOM 393 N PHE A 26 133.880 -3.056 11.142 1.00 0.00 N ATOM 394 CA PHE A 26 135.211 -2.616 10.757 1.00 0.00 C ATOM 395 C PHE A 26 135.668 -1.497 11.677 1.00 0.00 C ATOM 396 O PHE A 26 136.734 -0.934 11.513 1.00 0.00 O ATOM 397 CB PHE A 26 135.189 -2.165 9.292 1.00 0.00 C ATOM 398 CG PHE A 26 134.906 -3.322 8.363 1.00 0.00 C ATOM 399 CD1 PHE A 26 133.603 -3.655 8.033 1.00 0.00 C ATOM 400 CD2 PHE A 26 135.940 -4.084 7.832 1.00 0.00 C ATOM 401 CE1 PHE A 26 133.334 -4.723 7.194 1.00 0.00 C ATOM 402 CE2 PHE A 26 135.678 -5.151 6.991 1.00 0.00 C ATOM 403 CZ PHE A 26 134.375 -5.474 6.671 1.00 0.00 C ATOM 0 H PHE A 26 133.132 -2.471 10.770 1.00 0.00 H new ATOM 0 HA PHE A 26 135.921 -3.438 10.853 1.00 0.00 H new ATOM 0 HB2 PHE A 26 134.429 -1.395 9.158 1.00 0.00 H new ATOM 0 HB3 PHE A 26 136.148 -1.715 9.034 1.00 0.00 H new ATOM 0 HD1 PHE A 26 132.786 -3.074 8.435 1.00 0.00 H new ATOM 0 HD2 PHE A 26 136.963 -3.840 8.079 1.00 0.00 H new ATOM 0 HE1 PHE A 26 132.312 -4.971 6.947 1.00 0.00 H new ATOM 0 HE2 PHE A 26 136.493 -5.731 6.585 1.00 0.00 H new ATOM 0 HZ PHE A 26 134.167 -6.308 6.016 1.00 0.00 H new ATOM 413 N LEU A 27 134.854 -1.184 12.665 1.00 0.00 N ATOM 414 CA LEU A 27 135.186 -0.136 13.601 1.00 0.00 C ATOM 415 C LEU A 27 135.404 -0.699 15.002 1.00 0.00 C ATOM 416 O LEU A 27 135.468 -1.939 15.136 1.00 0.00 O ATOM 417 CB LEU A 27 134.071 0.897 13.600 1.00 0.00 C ATOM 418 CG LEU A 27 134.383 2.186 12.846 1.00 0.00 C ATOM 419 CD1 LEU A 27 135.144 1.948 11.552 1.00 0.00 C ATOM 420 CD2 LEU A 27 133.122 2.972 12.611 1.00 0.00 C ATOM 421 OXT LEU A 27 135.511 0.104 15.952 1.00 0.00 O ATOM 0 H LEU A 27 133.959 -1.642 12.838 1.00 0.00 H new ATOM 0 HA LEU A 27 136.119 0.336 13.295 1.00 0.00 H new ATOM 0 HB2 LEU A 27 133.180 0.446 13.164 1.00 0.00 H new ATOM 0 HB3 LEU A 27 133.829 1.148 14.633 1.00 0.00 H new ATOM 0 HG LEU A 27 135.049 2.775 13.477 1.00 0.00 H new ATOM 0 HD11 LEU A 27 135.336 2.903 11.062 1.00 0.00 H new ATOM 0 HD12 LEU A 27 136.091 1.456 11.772 1.00 0.00 H new ATOM 0 HD13 LEU A 27 134.551 1.314 10.892 1.00 0.00 H new ATOM 0 HD21 LEU A 27 133.360 3.889 12.072 1.00 0.00 H new ATOM 0 HD22 LEU A 27 132.426 2.375 12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 27 132.665 3.222 13.569 1.00 0.00 H new ATOM 434 N GLY B 1 116.425 -6.673 -6.030 1.00 0.00 N ATOM 435 CA GLY B 1 117.272 -6.283 -4.870 1.00 0.00 C ATOM 436 C GLY B 1 118.590 -5.663 -5.291 1.00 0.00 C ATOM 437 O GLY B 1 119.655 -6.217 -5.019 1.00 0.00 O ATOM 0 H1 GLY B 1 115.537 -7.091 -5.686 1.00 0.00 H new ATOM 0 H2 GLY B 1 116.213 -5.832 -6.603 1.00 0.00 H new ATOM 0 H3 GLY B 1 116.933 -7.369 -6.612 1.00 0.00 H new ATOM 0 HA2 GLY B 1 116.725 -5.575 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY B 1 117.468 -7.162 -4.256 1.00 0.00 H new ATOM 443 N TYR B 2 118.522 -4.511 -5.955 1.00 0.00 N ATOM 444 CA TYR B 2 119.722 -3.812 -6.414 1.00 0.00 C ATOM 445 C TYR B 2 119.640 -2.320 -6.074 1.00 0.00 C ATOM 446 O TYR B 2 118.637 -1.666 -6.359 1.00 0.00 O ATOM 447 CB TYR B 2 119.905 -4.012 -7.923 1.00 0.00 C ATOM 448 CG TYR B 2 120.752 -5.214 -8.294 1.00 0.00 C ATOM 449 CD1 TYR B 2 120.430 -6.492 -7.847 1.00 0.00 C ATOM 450 CD2 TYR B 2 121.871 -5.069 -9.104 1.00 0.00 C ATOM 451 CE1 TYR B 2 121.200 -7.586 -8.194 1.00 0.00 C ATOM 452 CE2 TYR B 2 122.643 -6.159 -9.456 1.00 0.00 C ATOM 453 CZ TYR B 2 122.306 -7.414 -8.999 1.00 0.00 C ATOM 454 OH TYR B 2 123.075 -8.501 -9.348 1.00 0.00 O ATOM 0 H TYR B 2 117.647 -4.041 -6.188 1.00 0.00 H new ATOM 0 HA TYR B 2 120.587 -4.231 -5.900 1.00 0.00 H new ATOM 0 HB2 TYR B 2 118.924 -4.117 -8.386 1.00 0.00 H new ATOM 0 HB3 TYR B 2 120.362 -3.116 -8.344 1.00 0.00 H new ATOM 0 HD1 TYR B 2 119.563 -6.631 -7.218 1.00 0.00 H new ATOM 0 HD2 TYR B 2 122.142 -4.088 -9.465 1.00 0.00 H new ATOM 0 HE1 TYR B 2 120.937 -8.570 -7.836 1.00 0.00 H new ATOM 0 HE2 TYR B 2 123.509 -6.028 -10.088 1.00 0.00 H new ATOM 0 HH TYR B 2 123.815 -8.208 -9.919 1.00 0.00 H new ATOM 464 N ILE B 3 120.695 -1.789 -5.449 1.00 0.00 N ATOM 465 CA ILE B 3 120.725 -0.373 -5.059 1.00 0.00 C ATOM 466 C ILE B 3 121.200 0.533 -6.176 1.00 0.00 C ATOM 467 O ILE B 3 121.946 0.118 -7.062 1.00 0.00 O ATOM 468 CB ILE B 3 121.694 -0.069 -3.904 1.00 0.00 C ATOM 469 CG1 ILE B 3 123.053 -0.719 -4.160 1.00 0.00 C ATOM 470 CG2 ILE B 3 121.135 -0.466 -2.550 1.00 0.00 C ATOM 471 CD1 ILE B 3 123.996 -0.689 -2.980 1.00 0.00 C ATOM 0 H ILE B 3 121.535 -2.313 -5.203 1.00 0.00 H new ATOM 0 HA ILE B 3 119.689 -0.184 -4.776 1.00 0.00 H new ATOM 0 HB ILE B 3 121.827 1.012 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE B 3 122.895 -1.756 -4.456 1.00 0.00 H new ATOM 0 HG13 ILE B 3 123.529 -0.216 -5.002 1.00 0.00 H new ATOM 0 HG21 ILE B 3 121.861 -0.228 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE B 3 120.211 0.082 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE B 3 120.930 -1.537 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE B 3 124.935 -1.172 -3.252 1.00 0.00 H new ATOM 0 HD12 ILE B 3 124.189 0.345 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE B 3 123.546 -1.219 -2.141 1.00 0.00 H new ATOM 483 N PRO B 4 120.797 1.810 -6.113 1.00 0.00 N ATOM 484 CA PRO B 4 121.204 2.804 -7.079 1.00 0.00 C ATOM 485 C PRO B 4 122.577 3.412 -6.759 1.00 0.00 C ATOM 486 O PRO B 4 123.087 3.303 -5.643 1.00 0.00 O ATOM 487 CB PRO B 4 120.091 3.840 -7.004 1.00 0.00 C ATOM 488 CG PRO B 4 119.632 3.783 -5.581 1.00 0.00 C ATOM 489 CD PRO B 4 119.916 2.381 -5.084 1.00 0.00 C ATOM 0 HA PRO B 4 121.332 2.385 -8.077 1.00 0.00 H new ATOM 0 HB2 PRO B 4 120.454 4.834 -7.266 1.00 0.00 H new ATOM 0 HB3 PRO B 4 119.280 3.604 -7.694 1.00 0.00 H new ATOM 0 HG2 PRO B 4 120.158 4.521 -4.976 1.00 0.00 H new ATOM 0 HG3 PRO B 4 118.568 4.010 -5.509 1.00 0.00 H new ATOM 0 HD2 PRO B 4 120.400 2.394 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO B 4 118.999 1.802 -4.978 1.00 0.00 H new ATOM 497 N GLU B 5 123.176 4.001 -7.792 1.00 0.00 N ATOM 498 CA GLU B 5 124.512 4.593 -7.739 1.00 0.00 C ATOM 499 C GLU B 5 124.654 5.740 -6.731 1.00 0.00 C ATOM 500 O GLU B 5 123.747 6.552 -6.545 1.00 0.00 O ATOM 501 CB GLU B 5 124.909 5.074 -9.138 1.00 0.00 C ATOM 502 CG GLU B 5 126.216 5.849 -9.182 1.00 0.00 C ATOM 503 CD GLU B 5 126.949 5.675 -10.498 1.00 0.00 C ATOM 504 OE1 GLU B 5 126.558 4.786 -11.284 1.00 0.00 O ATOM 505 OE2 GLU B 5 127.914 6.429 -10.745 1.00 0.00 O ATOM 0 H GLU B 5 122.737 4.082 -8.709 1.00 0.00 H new ATOM 0 HA GLU B 5 125.183 3.808 -7.390 1.00 0.00 H new ATOM 0 HB2 GLU B 5 124.989 4.210 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU B 5 124.112 5.704 -9.533 1.00 0.00 H new ATOM 0 HG2 GLU B 5 126.013 6.908 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU B 5 126.858 5.519 -8.365 1.00 0.00 H new ATOM 512 N ALA B 6 125.832 5.781 -6.097 1.00 0.00 N ATOM 513 CA ALA B 6 126.174 6.800 -5.106 1.00 0.00 C ATOM 514 C ALA B 6 126.714 8.077 -5.757 1.00 0.00 C ATOM 515 O ALA B 6 127.007 8.106 -6.952 1.00 0.00 O ATOM 516 CB ALA B 6 127.217 6.259 -4.134 1.00 0.00 C ATOM 0 H ALA B 6 126.576 5.103 -6.260 1.00 0.00 H new ATOM 0 HA ALA B 6 125.256 7.049 -4.574 1.00 0.00 H new ATOM 0 HB1 ALA B 6 127.464 7.027 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA B 6 126.818 5.383 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA B 6 128.116 5.980 -4.683 1.00 0.00 H new ATOM 522 N PRO B 7 126.855 9.152 -4.954 1.00 0.00 N ATOM 523 CA PRO B 7 127.366 10.455 -5.411 1.00 0.00 C ATOM 524 C PRO B 7 128.864 10.435 -5.725 1.00 0.00 C ATOM 525 O PRO B 7 129.613 9.622 -5.181 1.00 0.00 O ATOM 526 CB PRO B 7 127.100 11.391 -4.220 1.00 0.00 C ATOM 527 CG PRO B 7 126.215 10.626 -3.292 1.00 0.00 C ATOM 528 CD PRO B 7 126.527 9.181 -3.524 1.00 0.00 C ATOM 0 HA PRO B 7 126.882 10.760 -6.339 1.00 0.00 H new ATOM 0 HB2 PRO B 7 128.031 11.673 -3.729 1.00 0.00 H new ATOM 0 HB3 PRO B 7 126.620 12.313 -4.547 1.00 0.00 H new ATOM 0 HG2 PRO B 7 126.403 10.904 -2.255 1.00 0.00 H new ATOM 0 HG3 PRO B 7 125.164 10.836 -3.493 1.00 0.00 H new ATOM 0 HD2 PRO B 7 127.361 8.842 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO B 7 125.677 8.540 -3.290 1.00 0.00 H new ATOM 536 N ARG B 8 129.288 11.335 -6.613 1.00 0.00 N ATOM 537 CA ARG B 8 130.691 11.434 -7.018 1.00 0.00 C ATOM 538 C ARG B 8 131.343 12.724 -6.534 1.00 0.00 C ATOM 539 O ARG B 8 131.425 13.709 -7.269 1.00 0.00 O ATOM 540 CB ARG B 8 130.792 11.337 -8.520 1.00 0.00 C ATOM 541 CG ARG B 8 130.689 9.919 -9.050 1.00 0.00 C ATOM 542 CD ARG B 8 129.246 9.509 -9.258 1.00 0.00 C ATOM 543 NE ARG B 8 128.813 9.723 -10.636 1.00 0.00 N ATOM 544 CZ ARG B 8 127.548 9.637 -11.040 1.00 0.00 C ATOM 545 NH1 ARG B 8 126.587 9.337 -10.176 1.00 0.00 N ATOM 546 NH2 ARG B 8 127.245 9.852 -12.312 1.00 0.00 N ATOM 0 H ARG B 8 128.675 12.011 -7.069 1.00 0.00 H new ATOM 0 HA ARG B 8 131.228 10.607 -6.553 1.00 0.00 H new ATOM 0 HB2 ARG B 8 130.002 11.941 -8.968 1.00 0.00 H new ATOM 0 HB3 ARG B 8 131.742 11.766 -8.840 1.00 0.00 H new ATOM 0 HG2 ARG B 8 131.230 9.841 -9.993 1.00 0.00 H new ATOM 0 HG3 ARG B 8 131.167 9.232 -8.351 1.00 0.00 H new ATOM 0 HD2 ARG B 8 129.126 8.457 -8.999 1.00 0.00 H new ATOM 0 HD3 ARG B 8 128.606 10.078 -8.584 1.00 0.00 H new ATOM 0 HE ARG B 8 129.523 9.952 -11.331 1.00 0.00 H new ATOM 0 HH11 ARG B 8 126.816 9.171 -9.196 1.00 0.00 H new ATOM 0 HH12 ARG B 8 125.619 9.273 -10.492 1.00 0.00 H new ATOM 0 HH21 ARG B 8 127.981 10.083 -12.980 1.00 0.00 H new ATOM 0 HH22 ARG B 8 126.276 9.787 -12.624 1.00 0.00 H new ATOM 560 N ASP B 9 131.818 12.699 -5.303 1.00 0.00 N ATOM 561 CA ASP B 9 132.486 13.855 -4.704 1.00 0.00 C ATOM 562 C ASP B 9 133.802 13.451 -4.029 1.00 0.00 C ATOM 563 O ASP B 9 134.431 14.264 -3.352 1.00 0.00 O ATOM 564 CB ASP B 9 131.600 14.518 -3.646 1.00 0.00 C ATOM 565 CG ASP B 9 130.124 14.453 -3.993 1.00 0.00 C ATOM 566 OD1 ASP B 9 129.630 15.384 -4.662 1.00 0.00 O ATOM 567 OD2 ASP B 9 129.463 13.471 -3.594 1.00 0.00 O ATOM 0 H ASP B 9 131.756 11.887 -4.689 1.00 0.00 H new ATOM 0 HA ASP B 9 132.685 14.553 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP B 9 131.765 14.032 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP B 9 131.896 15.561 -3.531 1.00 0.00 H new ATOM 572 N GLY B 10 134.200 12.197 -4.196 1.00 0.00 N ATOM 573 CA GLY B 10 135.421 11.714 -3.572 1.00 0.00 C ATOM 574 C GLY B 10 135.207 11.392 -2.113 1.00 0.00 C ATOM 575 O GLY B 10 136.164 11.224 -1.360 1.00 0.00 O ATOM 0 H GLY B 10 133.700 11.503 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY B 10 135.770 10.824 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY B 10 136.203 12.467 -3.668 1.00 0.00 H new ATOM 579 N GLN B 11 133.950 11.295 -1.703 1.00 0.00 N ATOM 580 CA GLN B 11 133.647 10.965 -0.328 1.00 0.00 C ATOM 581 C GLN B 11 133.212 9.517 -0.298 1.00 0.00 C ATOM 582 O GLN B 11 132.571 9.049 -1.239 1.00 0.00 O ATOM 583 CB GLN B 11 132.549 11.873 0.224 1.00 0.00 C ATOM 584 CG GLN B 11 133.006 12.910 1.248 1.00 0.00 C ATOM 585 CD GLN B 11 134.187 12.443 2.109 1.00 0.00 C ATOM 586 OE1 GLN B 11 134.016 11.604 2.992 1.00 0.00 O ATOM 587 NE2 GLN B 11 135.389 12.971 1.875 1.00 0.00 N ATOM 0 H GLN B 11 133.135 11.439 -2.300 1.00 0.00 H new ATOM 0 HA GLN B 11 134.525 11.114 0.300 1.00 0.00 H new ATOM 0 HB2 GLN B 11 132.079 12.394 -0.610 1.00 0.00 H new ATOM 0 HB3 GLN B 11 131.782 11.249 0.682 1.00 0.00 H new ATOM 0 HG2 GLN B 11 133.287 13.825 0.726 1.00 0.00 H new ATOM 0 HG3 GLN B 11 132.168 13.159 1.899 1.00 0.00 H new ATOM 0 HE21 GLN B 11 135.506 13.665 1.137 1.00 0.00 H new ATOM 0 HE22 GLN B 11 136.191 12.680 2.434 1.00 0.00 H new ATOM 596 N ALA B 12 133.564 8.791 0.750 1.00 0.00 N ATOM 597 CA ALA B 12 133.214 7.393 0.831 1.00 0.00 C ATOM 598 C ALA B 12 131.885 7.224 1.514 1.00 0.00 C ATOM 599 O ALA B 12 131.584 7.883 2.508 1.00 0.00 O ATOM 600 CB ALA B 12 134.305 6.608 1.544 1.00 0.00 C ATOM 0 H ALA B 12 134.088 9.148 1.549 1.00 0.00 H new ATOM 0 HA ALA B 12 133.126 6.996 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA B 12 134.022 5.556 1.595 1.00 0.00 H new ATOM 0 HB2 ALA B 12 135.242 6.706 0.995 1.00 0.00 H new ATOM 0 HB3 ALA B 12 134.434 6.998 2.554 1.00 0.00 H new ATOM 606 N TYR B 13 131.071 6.364 0.935 1.00 0.00 N ATOM 607 CA TYR B 13 129.737 6.128 1.436 1.00 0.00 C ATOM 608 C TYR B 13 129.525 4.691 1.865 1.00 0.00 C ATOM 609 O TYR B 13 130.095 3.760 1.297 1.00 0.00 O ATOM 610 CB TYR B 13 128.717 6.438 0.358 1.00 0.00 C ATOM 611 CG TYR B 13 128.488 7.905 0.194 1.00 0.00 C ATOM 612 CD1 TYR B 13 127.859 8.620 1.180 1.00 0.00 C ATOM 613 CD2 TYR B 13 128.920 8.568 -0.928 1.00 0.00 C ATOM 614 CE1 TYR B 13 127.657 9.970 1.064 1.00 0.00 C ATOM 615 CE2 TYR B 13 128.730 9.929 -1.070 1.00 0.00 C ATOM 616 CZ TYR B 13 128.096 10.631 -0.066 1.00 0.00 C ATOM 617 OH TYR B 13 127.898 11.988 -0.197 1.00 0.00 O ATOM 0 H TYR B 13 131.315 5.815 0.111 1.00 0.00 H new ATOM 0 HA TYR B 13 129.613 6.778 2.302 1.00 0.00 H new ATOM 0 HB2 TYR B 13 129.055 6.018 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR B 13 127.773 5.951 0.604 1.00 0.00 H new ATOM 0 HD1 TYR B 13 127.515 8.108 2.067 1.00 0.00 H new ATOM 0 HD2 TYR B 13 129.417 8.016 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR B 13 127.157 10.514 1.852 1.00 0.00 H new ATOM 0 HE2 TYR B 13 129.074 10.438 -1.958 1.00 0.00 H new ATOM 0 HH TYR B 13 128.269 12.292 -1.052 1.00 0.00 H new ATOM 627 N VAL B 14 128.626 4.526 2.807 1.00 0.00 N ATOM 628 CA VAL B 14 128.227 3.218 3.265 1.00 0.00 C ATOM 629 C VAL B 14 126.855 2.970 2.682 1.00 0.00 C ATOM 630 O VAL B 14 126.144 3.930 2.381 1.00 0.00 O ATOM 631 CB VAL B 14 128.082 3.141 4.805 1.00 0.00 C ATOM 632 CG1 VAL B 14 126.605 2.923 5.141 1.00 0.00 C ATOM 633 CG2 VAL B 14 128.947 2.033 5.375 1.00 0.00 C ATOM 0 H VAL B 14 128.151 5.296 3.277 1.00 0.00 H new ATOM 0 HA VAL B 14 128.984 2.495 2.961 1.00 0.00 H new ATOM 0 HB VAL B 14 128.423 4.073 5.257 1.00 0.00 H new ATOM 0 HG11 VAL B 14 126.482 2.866 6.223 1.00 0.00 H new ATOM 0 HG12 VAL B 14 126.017 3.754 4.752 1.00 0.00 H new ATOM 0 HG13 VAL B 14 126.262 1.993 4.688 1.00 0.00 H new ATOM 0 HG21 VAL B 14 128.828 1.999 6.458 1.00 0.00 H new ATOM 0 HG22 VAL B 14 128.644 1.078 4.946 1.00 0.00 H new ATOM 0 HG23 VAL B 14 129.992 2.225 5.131 1.00 0.00 H new ATOM 643 N ARG B 15 126.429 1.728 2.576 1.00 0.00 N ATOM 644 CA ARG B 15 125.091 1.497 2.094 1.00 0.00 C ATOM 645 C ARG B 15 124.247 1.042 3.274 1.00 0.00 C ATOM 646 O ARG B 15 124.354 -0.090 3.746 1.00 0.00 O ATOM 647 CB ARG B 15 125.094 0.480 0.946 1.00 0.00 C ATOM 648 CG ARG B 15 124.249 0.836 -0.273 1.00 0.00 C ATOM 649 CD ARG B 15 123.447 2.101 -0.109 1.00 0.00 C ATOM 650 NE ARG B 15 122.570 2.329 -1.251 1.00 0.00 N ATOM 651 CZ ARG B 15 122.228 3.533 -1.688 1.00 0.00 C ATOM 652 NH1 ARG B 15 122.711 4.608 -1.112 1.00 0.00 N ATOM 653 NH2 ARG B 15 121.428 3.657 -2.722 1.00 0.00 N ATOM 0 H ARG B 15 126.969 0.894 2.808 1.00 0.00 H new ATOM 0 HA ARG B 15 124.663 2.411 1.681 1.00 0.00 H new ATOM 0 HB2 ARG B 15 126.124 0.336 0.619 1.00 0.00 H new ATOM 0 HB3 ARG B 15 124.747 -0.477 1.336 1.00 0.00 H new ATOM 0 HG2 ARG B 15 124.903 0.941 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG B 15 123.569 0.011 -0.486 1.00 0.00 H new ATOM 0 HD2 ARG B 15 122.852 2.040 0.802 1.00 0.00 H new ATOM 0 HD3 ARG B 15 124.122 2.949 0.008 1.00 0.00 H new ATOM 0 HE ARG B 15 122.198 1.516 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG B 15 123.353 4.520 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG B 15 122.445 5.532 -1.452 1.00 0.00 H new ATOM 0 HH21 ARG B 15 121.068 2.826 -3.191 1.00 0.00 H new ATOM 0 HH22 ARG B 15 121.166 4.585 -3.056 1.00 0.00 H new ATOM 667 N LYS B 16 123.402 1.960 3.737 1.00 0.00 N ATOM 668 CA LYS B 16 122.513 1.707 4.860 1.00 0.00 C ATOM 669 C LYS B 16 121.127 2.279 4.603 1.00 0.00 C ATOM 670 O LYS B 16 120.987 3.474 4.341 1.00 0.00 O ATOM 671 CB LYS B 16 123.140 2.258 6.147 1.00 0.00 C ATOM 672 CG LYS B 16 122.397 3.371 6.862 1.00 0.00 C ATOM 673 CD LYS B 16 123.305 3.973 7.926 1.00 0.00 C ATOM 674 CE LYS B 16 122.645 4.060 9.281 1.00 0.00 C ATOM 675 NZ LYS B 16 123.581 4.557 10.326 1.00 0.00 N ATOM 0 H LYS B 16 123.317 2.897 3.343 1.00 0.00 H new ATOM 0 HA LYS B 16 122.384 0.631 4.981 1.00 0.00 H new ATOM 0 HB2 LYS B 16 123.260 1.430 6.845 1.00 0.00 H new ATOM 0 HB3 LYS B 16 124.140 2.620 5.907 1.00 0.00 H new ATOM 0 HG2 LYS B 16 122.093 4.138 6.150 1.00 0.00 H new ATOM 0 HG3 LYS B 16 121.487 2.982 7.320 1.00 0.00 H new ATOM 0 HD2 LYS B 16 124.210 3.371 8.006 1.00 0.00 H new ATOM 0 HD3 LYS B 16 123.612 4.971 7.612 1.00 0.00 H new ATOM 0 HE2 LYS B 16 121.782 4.723 9.222 1.00 0.00 H new ATOM 0 HE3 LYS B 16 122.272 3.076 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 123.088 4.602 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 124.392 3.911 10.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 123.918 5.506 10.067 1.00 0.00 H new ATOM 689 N ASP B 17 120.105 1.448 4.696 1.00 0.00 N ATOM 690 CA ASP B 17 118.744 1.921 4.490 1.00 0.00 C ATOM 691 C ASP B 17 118.573 2.530 3.104 1.00 0.00 C ATOM 692 O ASP B 17 117.943 3.576 2.951 1.00 0.00 O ATOM 693 CB ASP B 17 118.375 2.952 5.550 1.00 0.00 C ATOM 694 CG ASP B 17 116.968 2.755 6.080 1.00 0.00 C ATOM 695 OD1 ASP B 17 116.129 2.197 5.341 1.00 0.00 O ATOM 696 OD2 ASP B 17 116.703 3.162 7.231 1.00 0.00 O ATOM 0 H ASP B 17 120.187 0.454 4.910 1.00 0.00 H new ATOM 0 HA ASP B 17 118.079 1.061 4.573 1.00 0.00 H new ATOM 0 HB2 ASP B 17 119.084 2.890 6.376 1.00 0.00 H new ATOM 0 HB3 ASP B 17 118.465 3.953 5.127 1.00 0.00 H new ATOM 701 N GLY B 18 119.117 1.868 2.091 1.00 0.00 N ATOM 702 CA GLY B 18 118.999 2.350 0.733 1.00 0.00 C ATOM 703 C GLY B 18 119.642 3.710 0.486 1.00 0.00 C ATOM 704 O GLY B 18 119.390 4.314 -0.557 1.00 0.00 O ATOM 0 H GLY B 18 119.642 0.999 2.190 1.00 0.00 H new ATOM 0 HA2 GLY B 18 119.452 1.621 0.062 1.00 0.00 H new ATOM 0 HA3 GLY B 18 117.942 2.409 0.473 1.00 0.00 H new ATOM 708 N GLU B 19 120.462 4.223 1.416 1.00 0.00 N ATOM 709 CA GLU B 19 121.085 5.522 1.214 1.00 0.00 C ATOM 710 C GLU B 19 122.593 5.449 1.401 1.00 0.00 C ATOM 711 O GLU B 19 123.102 4.573 2.099 1.00 0.00 O ATOM 712 CB GLU B 19 120.499 6.545 2.184 1.00 0.00 C ATOM 713 CG GLU B 19 119.323 6.032 3.003 1.00 0.00 C ATOM 714 CD GLU B 19 119.015 6.912 4.198 1.00 0.00 C ATOM 715 OE1 GLU B 19 119.805 7.839 4.474 1.00 0.00 O ATOM 716 OE2 GLU B 19 117.983 6.673 4.860 1.00 0.00 O ATOM 0 H GLU B 19 120.700 3.763 2.295 1.00 0.00 H new ATOM 0 HA GLU B 19 120.880 5.831 0.189 1.00 0.00 H new ATOM 0 HB2 GLU B 19 121.284 6.874 2.865 1.00 0.00 H new ATOM 0 HB3 GLU B 19 120.179 7.421 1.620 1.00 0.00 H new ATOM 0 HG2 GLU B 19 118.441 5.970 2.366 1.00 0.00 H new ATOM 0 HG3 GLU B 19 119.539 5.021 3.348 1.00 0.00 H new ATOM 723 N TRP B 20 123.303 6.376 0.761 1.00 0.00 N ATOM 724 CA TRP B 20 124.755 6.416 0.847 1.00 0.00 C ATOM 725 C TRP B 20 125.183 7.364 1.964 1.00 0.00 C ATOM 726 O TRP B 20 124.948 8.570 1.893 1.00 0.00 O ATOM 727 CB TRP B 20 125.370 6.824 -0.497 1.00 0.00 C ATOM 728 CG TRP B 20 125.234 5.726 -1.497 1.00 0.00 C ATOM 729 CD1 TRP B 20 124.525 5.726 -2.668 1.00 0.00 C ATOM 730 CD2 TRP B 20 125.814 4.434 -1.377 1.00 0.00 C ATOM 731 NE1 TRP B 20 124.632 4.491 -3.275 1.00 0.00 N ATOM 732 CE2 TRP B 20 125.424 3.691 -2.499 1.00 0.00 C ATOM 733 CE3 TRP B 20 126.631 3.836 -0.420 1.00 0.00 C ATOM 734 CZ2 TRP B 20 125.825 2.380 -2.686 1.00 0.00 C ATOM 735 CZ3 TRP B 20 127.027 2.537 -0.607 1.00 0.00 C ATOM 736 CH2 TRP B 20 126.625 1.820 -1.732 1.00 0.00 C ATOM 0 H TRP B 20 122.894 7.107 0.179 1.00 0.00 H new ATOM 0 HA TRP B 20 125.122 5.417 1.084 1.00 0.00 H new ATOM 0 HB2 TRP B 20 124.879 7.723 -0.869 1.00 0.00 H new ATOM 0 HB3 TRP B 20 126.423 7.069 -0.361 1.00 0.00 H new ATOM 0 HD1 TRP B 20 123.967 6.565 -3.058 1.00 0.00 H new ATOM 0 HE1 TRP B 20 124.194 4.220 -4.155 1.00 0.00 H new ATOM 0 HE3 TRP B 20 126.947 4.386 0.454 1.00 0.00 H new ATOM 0 HZ2 TRP B 20 125.516 1.820 -3.556 1.00 0.00 H new ATOM 0 HZ3 TRP B 20 127.660 2.062 0.128 1.00 0.00 H new ATOM 0 HH2 TRP B 20 126.954 0.798 -1.852 1.00 0.00 H new ATOM 747 N VAL B 21 125.784 6.804 3.012 1.00 0.00 N ATOM 748 CA VAL B 21 126.211 7.585 4.167 1.00 0.00 C ATOM 749 C VAL B 21 127.700 7.704 4.221 1.00 0.00 C ATOM 750 O VAL B 21 128.431 6.723 4.088 1.00 0.00 O ATOM 751 CB VAL B 21 125.738 6.933 5.481 1.00 0.00 C ATOM 752 CG1 VAL B 21 124.373 6.341 5.281 1.00 0.00 C ATOM 753 CG2 VAL B 21 126.712 5.852 5.900 1.00 0.00 C ATOM 0 H VAL B 21 125.986 5.807 3.083 1.00 0.00 H new ATOM 0 HA VAL B 21 125.765 8.574 4.058 1.00 0.00 H new ATOM 0 HB VAL B 21 125.693 7.690 6.264 1.00 0.00 H new ATOM 0 HG11 VAL B 21 124.037 5.879 6.210 1.00 0.00 H new ATOM 0 HG12 VAL B 21 123.674 7.126 4.993 1.00 0.00 H new ATOM 0 HG13 VAL B 21 124.415 5.587 4.495 1.00 0.00 H new ATOM 0 HG21 VAL B 21 126.371 5.396 6.829 1.00 0.00 H new ATOM 0 HG22 VAL B 21 126.768 5.091 5.121 1.00 0.00 H new ATOM 0 HG23 VAL B 21 127.699 6.290 6.051 1.00 0.00 H new ATOM 763 N LEU B 22 128.142 8.913 4.439 1.00 0.00 N ATOM 764 CA LEU B 22 129.539 9.167 4.538 1.00 0.00 C ATOM 765 C LEU B 22 130.164 8.258 5.576 1.00 0.00 C ATOM 766 O LEU B 22 129.772 8.248 6.743 1.00 0.00 O ATOM 767 CB LEU B 22 129.774 10.617 4.856 1.00 0.00 C ATOM 768 CG LEU B 22 130.359 11.409 3.688 1.00 0.00 C ATOM 769 CD1 LEU B 22 131.000 12.682 4.173 1.00 0.00 C ATOM 770 CD2 LEU B 22 131.371 10.573 2.917 1.00 0.00 C ATOM 0 H LEU B 22 127.547 9.734 4.551 1.00 0.00 H new ATOM 0 HA LEU B 22 130.016 8.952 3.582 1.00 0.00 H new ATOM 0 HB2 LEU B 22 128.831 11.072 5.157 1.00 0.00 H new ATOM 0 HB3 LEU B 22 130.449 10.689 5.708 1.00 0.00 H new ATOM 0 HG LEU B 22 129.540 11.666 3.016 1.00 0.00 H new ATOM 0 HD11 LEU B 22 131.410 13.229 3.324 1.00 0.00 H new ATOM 0 HD12 LEU B 22 130.253 13.297 4.675 1.00 0.00 H new ATOM 0 HD13 LEU B 22 131.802 12.442 4.871 1.00 0.00 H new ATOM 0 HD21 LEU B 22 131.773 11.159 2.091 1.00 0.00 H new ATOM 0 HD22 LEU B 22 132.183 10.280 3.582 1.00 0.00 H new ATOM 0 HD23 LEU B 22 130.883 9.681 2.525 1.00 0.00 H new ATOM 782 N LEU B 23 131.132 7.496 5.127 1.00 0.00 N ATOM 783 CA LEU B 23 131.840 6.558 5.970 1.00 0.00 C ATOM 784 C LEU B 23 132.477 7.245 7.152 1.00 0.00 C ATOM 785 O LEU B 23 132.591 6.669 8.234 1.00 0.00 O ATOM 786 CB LEU B 23 132.922 5.893 5.155 1.00 0.00 C ATOM 787 CG LEU B 23 133.936 5.071 5.956 1.00 0.00 C ATOM 788 CD1 LEU B 23 133.658 3.582 5.913 1.00 0.00 C ATOM 789 CD2 LEU B 23 135.332 5.337 5.454 1.00 0.00 C ATOM 0 H LEU B 23 131.454 7.508 4.159 1.00 0.00 H new ATOM 0 HA LEU B 23 131.124 5.827 6.344 1.00 0.00 H new ATOM 0 HB2 LEU B 23 132.451 5.241 4.420 1.00 0.00 H new ATOM 0 HB3 LEU B 23 133.460 6.662 4.600 1.00 0.00 H new ATOM 0 HG LEU B 23 133.841 5.387 6.995 1.00 0.00 H new ATOM 0 HD11 LEU B 23 134.411 3.054 6.499 1.00 0.00 H new ATOM 0 HD12 LEU B 23 132.670 3.384 6.329 1.00 0.00 H new ATOM 0 HD13 LEU B 23 133.693 3.235 4.880 1.00 0.00 H new ATOM 0 HD21 LEU B 23 136.045 4.747 6.031 1.00 0.00 H new ATOM 0 HD22 LEU B 23 135.399 5.060 4.402 1.00 0.00 H new ATOM 0 HD23 LEU B 23 135.563 6.396 5.566 1.00 0.00 H new ATOM 801 N SER B 24 132.936 8.458 6.933 1.00 0.00 N ATOM 802 CA SER B 24 133.618 9.206 7.981 1.00 0.00 C ATOM 803 C SER B 24 132.686 9.441 9.157 1.00 0.00 C ATOM 804 O SER B 24 133.143 9.704 10.270 1.00 0.00 O ATOM 805 CB SER B 24 134.123 10.551 7.449 1.00 0.00 C ATOM 806 OG SER B 24 134.902 10.390 6.273 1.00 0.00 O ATOM 0 H SER B 24 132.853 8.951 6.044 1.00 0.00 H new ATOM 0 HA SER B 24 134.472 8.616 8.313 1.00 0.00 H new ATOM 0 HB2 SER B 24 133.274 11.201 7.237 1.00 0.00 H new ATOM 0 HB3 SER B 24 134.719 11.045 8.216 1.00 0.00 H new ATOM 0 HG SER B 24 135.206 11.267 5.960 1.00 0.00 H new ATOM 812 N THR B 25 131.388 9.268 8.941 1.00 0.00 N ATOM 813 CA THR B 25 130.459 9.388 10.045 1.00 0.00 C ATOM 814 C THR B 25 130.676 8.191 10.972 1.00 0.00 C ATOM 815 O THR B 25 130.265 8.195 12.133 1.00 0.00 O ATOM 816 CB THR B 25 129.009 9.430 9.556 1.00 0.00 C ATOM 817 OG1 THR B 25 128.759 10.626 8.839 1.00 0.00 O ATOM 818 CG2 THR B 25 127.981 9.342 10.664 1.00 0.00 C ATOM 0 H THR B 25 130.968 9.050 8.037 1.00 0.00 H new ATOM 0 HA THR B 25 130.642 10.322 10.576 1.00 0.00 H new ATOM 0 HB THR B 25 128.902 8.549 8.923 1.00 0.00 H new ATOM 0 HG1 THR B 25 127.828 10.635 8.533 1.00 0.00 H new ATOM 0 HG21 THR B 25 126.980 9.378 10.235 1.00 0.00 H new ATOM 0 HG22 THR B 25 128.110 8.405 11.206 1.00 0.00 H new ATOM 0 HG23 THR B 25 128.113 10.179 11.350 1.00 0.00 H new ATOM 826 N PHE B 26 131.331 7.157 10.420 1.00 0.00 N ATOM 827 CA PHE B 26 131.624 5.932 11.140 1.00 0.00 C ATOM 828 C PHE B 26 133.064 5.915 11.651 1.00 0.00 C ATOM 829 O PHE B 26 133.408 5.095 12.481 1.00 0.00 O ATOM 830 CB PHE B 26 131.355 4.716 10.229 1.00 0.00 C ATOM 831 CG PHE B 26 129.886 4.597 9.837 1.00 0.00 C ATOM 832 CD1 PHE B 26 129.273 5.558 9.034 1.00 0.00 C ATOM 833 CD2 PHE B 26 129.109 3.544 10.301 1.00 0.00 C ATOM 834 CE1 PHE B 26 127.918 5.467 8.710 1.00 0.00 C ATOM 835 CE2 PHE B 26 127.762 3.446 9.974 1.00 0.00 C ATOM 836 CZ PHE B 26 127.162 4.410 9.182 1.00 0.00 C ATOM 0 H PHE B 26 131.669 7.159 9.457 1.00 0.00 H new ATOM 0 HA PHE B 26 130.969 5.880 12.010 1.00 0.00 H new ATOM 0 HB2 PHE B 26 131.963 4.799 9.328 1.00 0.00 H new ATOM 0 HB3 PHE B 26 131.666 3.806 10.741 1.00 0.00 H new ATOM 0 HD1 PHE B 26 129.855 6.386 8.657 1.00 0.00 H new ATOM 0 HD2 PHE B 26 129.559 2.788 10.927 1.00 0.00 H new ATOM 0 HE1 PHE B 26 127.460 6.223 8.090 1.00 0.00 H new ATOM 0 HE2 PHE B 26 127.180 2.613 10.340 1.00 0.00 H new ATOM 0 HZ PHE B 26 126.113 4.337 8.935 1.00 0.00 H new ATOM 846 N LEU B 27 133.914 6.836 11.214 1.00 0.00 N ATOM 847 CA LEU B 27 135.288 6.852 11.710 1.00 0.00 C ATOM 848 C LEU B 27 135.496 7.994 12.699 1.00 0.00 C ATOM 849 O LEU B 27 135.310 9.163 12.301 1.00 0.00 O ATOM 850 CB LEU B 27 136.294 6.971 10.561 1.00 0.00 C ATOM 851 CG LEU B 27 136.004 6.127 9.313 1.00 0.00 C ATOM 852 CD1 LEU B 27 137.190 6.160 8.374 1.00 0.00 C ATOM 853 CD2 LEU B 27 135.691 4.680 9.659 1.00 0.00 C ATOM 854 OXT LEU B 27 135.844 7.709 13.865 1.00 0.00 O ATOM 0 H LEU B 27 133.688 7.564 10.536 1.00 0.00 H new ATOM 0 HA LEU B 27 135.459 5.905 12.222 1.00 0.00 H new ATOM 0 HB2 LEU B 27 136.348 8.018 10.261 1.00 0.00 H new ATOM 0 HB3 LEU B 27 137.279 6.696 10.939 1.00 0.00 H new ATOM 0 HG LEU B 27 135.127 6.561 8.832 1.00 0.00 H new ATOM 0 HD11 LEU B 27 136.973 5.558 7.492 1.00 0.00 H new ATOM 0 HD12 LEU B 27 137.386 7.189 8.072 1.00 0.00 H new ATOM 0 HD13 LEU B 27 138.067 5.758 8.881 1.00 0.00 H new ATOM 0 HD21 LEU B 27 135.493 4.122 8.744 1.00 0.00 H new ATOM 0 HD22 LEU B 27 136.542 4.237 10.177 1.00 0.00 H new ATOM 0 HD23 LEU B 27 134.814 4.642 10.305 1.00 0.00 H new ATOM 867 N GLY C 1 120.328 6.092 -11.188 1.00 0.00 N ATOM 868 CA GLY C 1 121.122 4.978 -11.781 1.00 0.00 C ATOM 869 C GLY C 1 121.631 4.007 -10.724 1.00 0.00 C ATOM 870 O GLY C 1 121.432 4.239 -9.533 1.00 0.00 O ATOM 0 H1 GLY C 1 119.375 6.099 -11.605 1.00 0.00 H new ATOM 0 H2 GLY C 1 120.255 5.957 -10.159 1.00 0.00 H new ATOM 0 H3 GLY C 1 120.799 6.998 -11.386 1.00 0.00 H new ATOM 0 HA2 GLY C 1 120.506 4.439 -12.501 1.00 0.00 H new ATOM 0 HA3 GLY C 1 121.968 5.390 -12.331 1.00 0.00 H new ATOM 876 N TYR C 2 122.282 2.912 -11.147 1.00 0.00 N ATOM 877 CA TYR C 2 122.808 1.917 -10.205 1.00 0.00 C ATOM 878 C TYR C 2 124.335 1.827 -10.288 1.00 0.00 C ATOM 879 O TYR C 2 124.915 2.042 -11.350 1.00 0.00 O ATOM 880 CB TYR C 2 122.192 0.538 -10.471 1.00 0.00 C ATOM 881 CG TYR C 2 120.792 0.353 -9.917 1.00 0.00 C ATOM 882 CD1 TYR C 2 119.907 1.420 -9.811 1.00 0.00 C ATOM 883 CD2 TYR C 2 120.355 -0.899 -9.506 1.00 0.00 C ATOM 884 CE1 TYR C 2 118.631 1.246 -9.310 1.00 0.00 C ATOM 885 CE2 TYR C 2 119.079 -1.081 -9.004 1.00 0.00 C ATOM 886 CZ TYR C 2 118.222 -0.007 -8.908 1.00 0.00 C ATOM 887 OH TYR C 2 116.951 -0.189 -8.407 1.00 0.00 O ATOM 0 H TYR C 2 122.455 2.696 -12.129 1.00 0.00 H new ATOM 0 HA TYR C 2 122.535 2.240 -9.201 1.00 0.00 H new ATOM 0 HB2 TYR C 2 122.168 0.367 -11.547 1.00 0.00 H new ATOM 0 HB3 TYR C 2 122.842 -0.224 -10.042 1.00 0.00 H new ATOM 0 HD1 TYR C 2 120.223 2.404 -10.126 1.00 0.00 H new ATOM 0 HD2 TYR C 2 121.022 -1.745 -9.579 1.00 0.00 H new ATOM 0 HE1 TYR C 2 117.958 2.087 -9.234 1.00 0.00 H new ATOM 0 HE2 TYR C 2 118.756 -2.062 -8.688 1.00 0.00 H new ATOM 0 HH TYR C 2 116.999 -0.690 -7.566 1.00 0.00 H new ATOM 897 N ILE C 3 124.981 1.478 -9.172 1.00 0.00 N ATOM 898 CA ILE C 3 126.436 1.327 -9.153 1.00 0.00 C ATOM 899 C ILE C 3 126.810 -0.074 -9.558 1.00 0.00 C ATOM 900 O ILE C 3 126.018 -1.005 -9.404 1.00 0.00 O ATOM 901 CB ILE C 3 127.088 1.524 -7.776 1.00 0.00 C ATOM 902 CG1 ILE C 3 126.226 0.961 -6.665 1.00 0.00 C ATOM 903 CG2 ILE C 3 127.437 2.968 -7.484 1.00 0.00 C ATOM 904 CD1 ILE C 3 126.868 1.107 -5.310 1.00 0.00 C ATOM 0 H ILE C 3 124.524 1.296 -8.279 1.00 0.00 H new ATOM 0 HA ILE C 3 126.792 2.101 -9.833 1.00 0.00 H new ATOM 0 HB ILE C 3 128.024 0.967 -7.813 1.00 0.00 H new ATOM 0 HG12 ILE C 3 125.262 1.469 -6.664 1.00 0.00 H new ATOM 0 HG13 ILE C 3 126.030 -0.093 -6.860 1.00 0.00 H new ATOM 0 HG21 ILE C 3 127.894 3.039 -6.497 1.00 0.00 H new ATOM 0 HG22 ILE C 3 128.138 3.332 -8.235 1.00 0.00 H new ATOM 0 HG23 ILE C 3 126.531 3.574 -7.509 1.00 0.00 H new ATOM 0 HD11 ILE C 3 126.210 0.688 -4.549 1.00 0.00 H new ATOM 0 HD12 ILE C 3 127.820 0.576 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE C 3 127.039 2.163 -5.100 1.00 0.00 H new ATOM 916 N PRO C 4 128.036 -0.261 -10.047 1.00 0.00 N ATOM 917 CA PRO C 4 128.512 -1.555 -10.438 1.00 0.00 C ATOM 918 C PRO C 4 129.143 -2.313 -9.280 1.00 0.00 C ATOM 919 O PRO C 4 129.616 -1.731 -8.306 1.00 0.00 O ATOM 920 CB PRO C 4 129.525 -1.250 -11.545 1.00 0.00 C ATOM 921 CG PRO C 4 129.899 0.198 -11.370 1.00 0.00 C ATOM 922 CD PRO C 4 129.060 0.759 -10.241 1.00 0.00 C ATOM 0 HA PRO C 4 127.707 -2.208 -10.775 1.00 0.00 H new ATOM 0 HB2 PRO C 4 130.401 -1.893 -11.462 1.00 0.00 H new ATOM 0 HB3 PRO C 4 129.093 -1.426 -12.530 1.00 0.00 H new ATOM 0 HG2 PRO C 4 130.960 0.294 -11.141 1.00 0.00 H new ATOM 0 HG3 PRO C 4 129.720 0.753 -12.291 1.00 0.00 H new ATOM 0 HD2 PRO C 4 129.651 0.913 -9.338 1.00 0.00 H new ATOM 0 HD3 PRO C 4 128.624 1.723 -10.504 1.00 0.00 H new ATOM 930 N GLU C 5 129.081 -3.633 -9.399 1.00 0.00 N ATOM 931 CA GLU C 5 129.571 -4.550 -8.384 1.00 0.00 C ATOM 932 C GLU C 5 131.044 -4.349 -8.050 1.00 0.00 C ATOM 933 O GLU C 5 131.875 -4.092 -8.922 1.00 0.00 O ATOM 934 CB GLU C 5 129.322 -5.983 -8.856 1.00 0.00 C ATOM 935 CG GLU C 5 129.906 -7.045 -7.947 1.00 0.00 C ATOM 936 CD GLU C 5 129.006 -8.258 -7.825 1.00 0.00 C ATOM 937 OE1 GLU C 5 129.156 -9.193 -8.639 1.00 0.00 O ATOM 938 OE2 GLU C 5 128.147 -8.271 -6.918 1.00 0.00 O ATOM 0 H GLU C 5 128.684 -4.100 -10.214 1.00 0.00 H new ATOM 0 HA GLU C 5 129.025 -4.346 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU C 5 128.247 -6.144 -8.941 1.00 0.00 H new ATOM 0 HB3 GLU C 5 129.743 -6.103 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU C 5 130.878 -7.354 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU C 5 130.075 -6.620 -6.958 1.00 0.00 H new ATOM 945 N ALA C 6 131.341 -4.487 -6.758 1.00 0.00 N ATOM 946 CA ALA C 6 132.695 -4.346 -6.245 1.00 0.00 C ATOM 947 C ALA C 6 133.471 -5.653 -6.363 1.00 0.00 C ATOM 948 O ALA C 6 132.885 -6.728 -6.487 1.00 0.00 O ATOM 949 CB ALA C 6 132.674 -3.905 -4.789 1.00 0.00 C ATOM 0 H ALA C 6 130.647 -4.700 -6.041 1.00 0.00 H new ATOM 0 HA ALA C 6 133.193 -3.586 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA C 6 133.696 -3.805 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA C 6 132.164 -2.945 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA C 6 132.146 -4.648 -4.191 1.00 0.00 H new ATOM 955 N PRO C 7 134.808 -5.571 -6.312 1.00 0.00 N ATOM 956 CA PRO C 7 135.683 -6.746 -6.398 1.00 0.00 C ATOM 957 C PRO C 7 135.372 -7.777 -5.318 1.00 0.00 C ATOM 958 O PRO C 7 134.901 -7.431 -4.235 1.00 0.00 O ATOM 959 CB PRO C 7 137.083 -6.166 -6.176 1.00 0.00 C ATOM 960 CG PRO C 7 136.964 -4.729 -6.544 1.00 0.00 C ATOM 961 CD PRO C 7 135.574 -4.324 -6.153 1.00 0.00 C ATOM 0 HA PRO C 7 135.564 -7.270 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO C 7 137.400 -6.284 -5.140 1.00 0.00 H new ATOM 0 HB3 PRO C 7 137.823 -6.673 -6.795 1.00 0.00 H new ATOM 0 HG2 PRO C 7 137.708 -4.128 -6.022 1.00 0.00 H new ATOM 0 HG3 PRO C 7 137.129 -4.583 -7.612 1.00 0.00 H new ATOM 0 HD2 PRO C 7 135.535 -3.954 -5.128 1.00 0.00 H new ATOM 0 HD3 PRO C 7 135.190 -3.530 -6.793 1.00 0.00 H new ATOM 969 N ARG C 8 135.641 -9.042 -5.617 1.00 0.00 N ATOM 970 CA ARG C 8 135.394 -10.122 -4.673 1.00 0.00 C ATOM 971 C ARG C 8 136.701 -10.729 -4.181 1.00 0.00 C ATOM 972 O ARG C 8 137.048 -11.862 -4.515 1.00 0.00 O ATOM 973 CB ARG C 8 134.516 -11.177 -5.308 1.00 0.00 C ATOM 974 CG ARG C 8 133.135 -10.665 -5.667 1.00 0.00 C ATOM 975 CD ARG C 8 132.155 -11.805 -5.847 1.00 0.00 C ATOM 976 NE ARG C 8 132.262 -12.420 -7.169 1.00 0.00 N ATOM 977 CZ ARG C 8 133.072 -13.439 -7.455 1.00 0.00 C ATOM 978 NH1 ARG C 8 133.861 -13.958 -6.522 1.00 0.00 N ATOM 979 NH2 ARG C 8 133.095 -13.941 -8.682 1.00 0.00 N ATOM 0 H ARG C 8 136.032 -9.345 -6.509 1.00 0.00 H new ATOM 0 HA ARG C 8 134.874 -9.711 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG C 8 135.003 -11.553 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG C 8 134.418 -12.020 -4.623 1.00 0.00 H new ATOM 0 HG2 ARG C 8 132.778 -9.996 -4.884 1.00 0.00 H new ATOM 0 HG3 ARG C 8 133.189 -10.081 -6.585 1.00 0.00 H new ATOM 0 HD2 ARG C 8 132.333 -12.560 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG C 8 131.140 -11.436 -5.701 1.00 0.00 H new ATOM 0 HE ARG C 8 131.681 -12.046 -7.919 1.00 0.00 H new ATOM 0 HH11 ARG C 8 133.851 -13.577 -5.576 1.00 0.00 H new ATOM 0 HH12 ARG C 8 134.477 -14.738 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG C 8 132.493 -13.547 -9.405 1.00 0.00 H new ATOM 0 HH22 ARG C 8 133.714 -14.721 -8.902 1.00 0.00 H new ATOM 993 N ASP C 9 137.414 -9.953 -3.375 1.00 0.00 N ATOM 994 CA ASP C 9 138.686 -10.376 -2.804 1.00 0.00 C ATOM 995 C ASP C 9 138.581 -10.535 -1.291 1.00 0.00 C ATOM 996 O ASP C 9 139.599 -10.558 -0.599 1.00 0.00 O ATOM 997 CB ASP C 9 139.784 -9.351 -3.100 1.00 0.00 C ATOM 998 CG ASP C 9 140.009 -9.148 -4.586 1.00 0.00 C ATOM 999 OD1 ASP C 9 139.285 -8.328 -5.189 1.00 0.00 O ATOM 1000 OD2 ASP C 9 140.911 -9.805 -5.145 1.00 0.00 O ATOM 0 H ASP C 9 137.127 -9.014 -3.099 1.00 0.00 H new ATOM 0 HA ASP C 9 138.938 -11.334 -3.260 1.00 0.00 H new ATOM 0 HB2 ASP C 9 139.518 -8.398 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP C 9 140.715 -9.678 -2.637 1.00 0.00 H new ATOM 1005 N GLY C 10 137.361 -10.628 -0.768 1.00 0.00 N ATOM 1006 CA GLY C 10 137.205 -10.765 0.668 1.00 0.00 C ATOM 1007 C GLY C 10 137.477 -9.470 1.400 1.00 0.00 C ATOM 1008 O GLY C 10 137.680 -9.473 2.612 1.00 0.00 O ATOM 0 H GLY C 10 136.492 -10.611 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY C 10 136.192 -11.100 0.891 1.00 0.00 H new ATOM 0 HA3 GLY C 10 137.884 -11.536 1.033 1.00 0.00 H new ATOM 1012 N GLN C 11 137.498 -8.359 0.664 1.00 0.00 N ATOM 1013 CA GLN C 11 137.751 -7.055 1.266 1.00 0.00 C ATOM 1014 C GLN C 11 136.531 -6.171 1.173 1.00 0.00 C ATOM 1015 O GLN C 11 135.720 -6.306 0.261 1.00 0.00 O ATOM 1016 CB GLN C 11 138.903 -6.353 0.578 1.00 0.00 C ATOM 1017 CG GLN C 11 140.243 -6.438 1.306 1.00 0.00 C ATOM 1018 CD GLN C 11 140.430 -5.398 2.404 1.00 0.00 C ATOM 1019 OE1 GLN C 11 141.207 -4.460 2.259 1.00 0.00 O ATOM 1020 NE2 GLN C 11 139.746 -5.565 3.515 1.00 0.00 N ATOM 0 H GLN C 11 137.344 -8.338 -0.344 1.00 0.00 H new ATOM 0 HA GLN C 11 138.000 -7.230 2.313 1.00 0.00 H new ATOM 0 HB2 GLN C 11 139.022 -6.776 -0.420 1.00 0.00 H new ATOM 0 HB3 GLN C 11 138.643 -5.302 0.450 1.00 0.00 H new ATOM 0 HG2 GLN C 11 140.343 -7.432 1.743 1.00 0.00 H new ATOM 0 HG3 GLN C 11 141.046 -6.328 0.577 1.00 0.00 H new ATOM 0 HE21 GLN C 11 139.107 -6.355 3.607 1.00 0.00 H new ATOM 0 HE22 GLN C 11 139.855 -4.905 4.285 1.00 0.00 H new ATOM 1029 N ALA C 12 136.428 -5.256 2.121 1.00 0.00 N ATOM 1030 CA ALA C 12 135.322 -4.313 2.197 1.00 0.00 C ATOM 1031 C ALA C 12 135.643 -3.025 1.488 1.00 0.00 C ATOM 1032 O ALA C 12 136.740 -2.479 1.606 1.00 0.00 O ATOM 1033 CB ALA C 12 134.945 -4.052 3.651 1.00 0.00 C ATOM 0 H ALA C 12 137.115 -5.144 2.867 1.00 0.00 H new ATOM 0 HA ALA C 12 134.467 -4.760 1.690 1.00 0.00 H new ATOM 0 HB1 ALA C 12 134.116 -3.345 3.691 1.00 0.00 H new ATOM 0 HB2 ALA C 12 134.646 -4.988 4.123 1.00 0.00 H new ATOM 0 HB3 ALA C 12 135.802 -3.636 4.180 1.00 0.00 H new ATOM 1039 N TYR C 13 134.668 -2.557 0.737 1.00 0.00 N ATOM 1040 CA TYR C 13 134.813 -1.339 -0.023 1.00 0.00 C ATOM 1041 C TYR C 13 133.797 -0.294 0.384 1.00 0.00 C ATOM 1042 O TYR C 13 132.707 -0.598 0.870 1.00 0.00 O ATOM 1043 CB TYR C 13 134.624 -1.608 -1.508 1.00 0.00 C ATOM 1044 CG TYR C 13 135.774 -2.347 -2.133 1.00 0.00 C ATOM 1045 CD1 TYR C 13 136.943 -1.701 -2.478 1.00 0.00 C ATOM 1046 CD2 TYR C 13 135.683 -3.697 -2.359 1.00 0.00 C ATOM 1047 CE1 TYR C 13 138.003 -2.392 -3.035 1.00 0.00 C ATOM 1048 CE2 TYR C 13 136.732 -4.399 -2.913 1.00 0.00 C ATOM 1049 CZ TYR C 13 137.892 -3.743 -3.246 1.00 0.00 C ATOM 1050 OH TYR C 13 138.942 -4.442 -3.797 1.00 0.00 O ATOM 0 H TYR C 13 133.759 -3.009 0.638 1.00 0.00 H new ATOM 0 HA TYR C 13 135.818 -0.969 0.180 1.00 0.00 H new ATOM 0 HB2 TYR C 13 133.710 -2.185 -1.652 1.00 0.00 H new ATOM 0 HB3 TYR C 13 134.487 -0.659 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR C 13 137.032 -0.638 -2.310 1.00 0.00 H new ATOM 0 HD2 TYR C 13 134.774 -4.219 -2.098 1.00 0.00 H new ATOM 0 HE1 TYR C 13 138.911 -1.872 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR C 13 136.642 -5.461 -3.085 1.00 0.00 H new ATOM 0 HH TYR C 13 138.801 -5.403 -3.664 1.00 0.00 H new ATOM 1060 N VAL C 14 134.161 0.929 0.106 1.00 0.00 N ATOM 1061 CA VAL C 14 133.331 2.082 0.339 1.00 0.00 C ATOM 1062 C VAL C 14 132.897 2.556 -1.017 1.00 0.00 C ATOM 1063 O VAL C 14 133.595 2.301 -2.000 1.00 0.00 O ATOM 1064 CB VAL C 14 134.135 3.220 0.996 1.00 0.00 C ATOM 1065 CG1 VAL C 14 133.531 3.689 2.303 1.00 0.00 C ATOM 1066 CG2 VAL C 14 135.591 2.808 1.181 1.00 0.00 C ATOM 0 H VAL C 14 135.068 1.158 -0.300 1.00 0.00 H new ATOM 0 HA VAL C 14 132.500 1.822 0.995 1.00 0.00 H new ATOM 0 HB VAL C 14 134.093 4.071 0.317 1.00 0.00 H new ATOM 0 HG11 VAL C 14 134.141 4.491 2.718 1.00 0.00 H new ATOM 0 HG12 VAL C 14 132.520 4.056 2.126 1.00 0.00 H new ATOM 0 HG13 VAL C 14 133.497 2.858 3.007 1.00 0.00 H new ATOM 0 HG21 VAL C 14 136.144 3.624 1.646 1.00 0.00 H new ATOM 0 HG22 VAL C 14 135.641 1.926 1.819 1.00 0.00 H new ATOM 0 HG23 VAL C 14 136.031 2.579 0.210 1.00 0.00 H new ATOM 1076 N ARG C 15 131.789 3.253 -1.110 1.00 0.00 N ATOM 1077 CA ARG C 15 131.389 3.726 -2.403 1.00 0.00 C ATOM 1078 C ARG C 15 131.657 5.216 -2.454 1.00 0.00 C ATOM 1079 O ARG C 15 130.975 6.022 -1.820 1.00 0.00 O ATOM 1080 CB ARG C 15 129.920 3.383 -2.686 1.00 0.00 C ATOM 1081 CG ARG C 15 129.572 2.906 -4.109 1.00 0.00 C ATOM 1082 CD ARG C 15 130.733 2.907 -5.092 1.00 0.00 C ATOM 1083 NE ARG C 15 130.315 3.309 -6.427 1.00 0.00 N ATOM 1084 CZ ARG C 15 130.623 2.644 -7.542 1.00 0.00 C ATOM 1085 NH1 ARG C 15 131.387 1.559 -7.498 1.00 0.00 N ATOM 1086 NH2 ARG C 15 130.153 3.068 -8.708 1.00 0.00 N ATOM 0 H ARG C 15 131.172 3.496 -0.335 1.00 0.00 H new ATOM 0 HA ARG C 15 131.964 3.233 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG C 15 129.613 2.607 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG C 15 129.319 4.266 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG C 15 129.169 1.895 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG C 15 128.780 3.542 -4.505 1.00 0.00 H new ATOM 0 HD2 ARG C 15 131.509 3.584 -4.736 1.00 0.00 H new ATOM 0 HD3 ARG C 15 131.173 1.911 -5.134 1.00 0.00 H new ATOM 0 HE ARG C 15 129.750 4.154 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG C 15 131.746 1.224 -6.604 1.00 0.00 H new ATOM 0 HH12 ARG C 15 131.615 1.060 -8.358 1.00 0.00 H new ATOM 0 HH21 ARG C 15 129.560 3.897 -8.748 1.00 0.00 H new ATOM 0 HH22 ARG C 15 130.384 2.565 -9.565 1.00 0.00 H new ATOM 1100 N LYS C 16 132.687 5.553 -3.221 1.00 0.00 N ATOM 1101 CA LYS C 16 133.119 6.926 -3.390 1.00 0.00 C ATOM 1102 C LYS C 16 133.438 7.233 -4.850 1.00 0.00 C ATOM 1103 O LYS C 16 134.297 6.581 -5.444 1.00 0.00 O ATOM 1104 CB LYS C 16 134.344 7.188 -2.498 1.00 0.00 C ATOM 1105 CG LYS C 16 135.508 7.872 -3.210 1.00 0.00 C ATOM 1106 CD LYS C 16 136.773 7.866 -2.371 1.00 0.00 C ATOM 1107 CE LYS C 16 137.563 9.151 -2.552 1.00 0.00 C ATOM 1108 NZ LYS C 16 137.684 9.549 -3.984 1.00 0.00 N ATOM 0 H LYS C 16 133.244 4.877 -3.743 1.00 0.00 H new ATOM 0 HA LYS C 16 132.306 7.588 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS C 16 134.038 7.805 -1.653 1.00 0.00 H new ATOM 0 HB3 LYS C 16 134.691 6.239 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS C 16 135.699 7.368 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS C 16 135.234 8.901 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS C 16 136.514 7.741 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS C 16 137.393 7.014 -2.650 1.00 0.00 H new ATOM 0 HE2 LYS C 16 137.079 9.953 -1.995 1.00 0.00 H new ATOM 0 HE3 LYS C 16 138.559 9.024 -2.128 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 137.815 10.579 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 138.502 9.068 -4.410 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 136.819 9.278 -4.494 1.00 0.00 H new ATOM 1122 N ASP C 17 132.809 8.249 -5.415 1.00 0.00 N ATOM 1123 CA ASP C 17 133.122 8.645 -6.783 1.00 0.00 C ATOM 1124 C ASP C 17 132.901 7.521 -7.790 1.00 0.00 C ATOM 1125 O ASP C 17 133.727 7.308 -8.676 1.00 0.00 O ATOM 1126 CB ASP C 17 134.572 9.125 -6.849 1.00 0.00 C ATOM 1127 CG ASP C 17 134.693 10.539 -7.382 1.00 0.00 C ATOM 1128 OD1 ASP C 17 134.631 10.714 -8.617 1.00 0.00 O ATOM 1129 OD2 ASP C 17 134.849 11.470 -6.566 1.00 0.00 O ATOM 0 H ASP C 17 132.089 8.809 -4.959 1.00 0.00 H new ATOM 0 HA ASP C 17 132.439 9.450 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP C 17 135.013 9.077 -5.853 1.00 0.00 H new ATOM 0 HB3 ASP C 17 135.146 8.450 -7.485 1.00 0.00 H new ATOM 1134 N GLY C 18 131.778 6.827 -7.684 1.00 0.00 N ATOM 1135 CA GLY C 18 131.470 5.764 -8.617 1.00 0.00 C ATOM 1136 C GLY C 18 132.447 4.598 -8.589 1.00 0.00 C ATOM 1137 O GLY C 18 132.465 3.795 -9.521 1.00 0.00 O ATOM 0 H GLY C 18 131.072 6.982 -6.965 1.00 0.00 H new ATOM 0 HA2 GLY C 18 130.469 5.388 -8.403 1.00 0.00 H new ATOM 0 HA3 GLY C 18 131.446 6.178 -9.625 1.00 0.00 H new ATOM 1141 N GLU C 19 133.261 4.480 -7.538 1.00 0.00 N ATOM 1142 CA GLU C 19 134.210 3.373 -7.466 1.00 0.00 C ATOM 1143 C GLU C 19 134.203 2.733 -6.093 1.00 0.00 C ATOM 1144 O GLU C 19 133.772 3.341 -5.113 1.00 0.00 O ATOM 1145 CB GLU C 19 135.631 3.847 -7.775 1.00 0.00 C ATOM 1146 CG GLU C 19 135.708 5.048 -8.705 1.00 0.00 C ATOM 1147 CD GLU C 19 136.743 6.061 -8.255 1.00 0.00 C ATOM 1148 OE1 GLU C 19 136.951 6.190 -7.030 1.00 0.00 O ATOM 1149 OE2 GLU C 19 137.345 6.723 -9.126 1.00 0.00 O ATOM 0 H GLU C 19 133.282 5.121 -6.745 1.00 0.00 H new ATOM 0 HA GLU C 19 133.898 2.640 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU C 19 136.129 4.097 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU C 19 136.187 3.022 -8.221 1.00 0.00 H new ATOM 0 HG2 GLU C 19 135.949 4.709 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU C 19 134.731 5.529 -8.755 1.00 0.00 H new ATOM 1156 N TRP C 20 134.713 1.510 -6.020 1.00 0.00 N ATOM 1157 CA TRP C 20 134.794 0.808 -4.760 1.00 0.00 C ATOM 1158 C TRP C 20 136.185 0.970 -4.178 1.00 0.00 C ATOM 1159 O TRP C 20 137.167 0.491 -4.746 1.00 0.00 O ATOM 1160 CB TRP C 20 134.432 -0.673 -4.907 1.00 0.00 C ATOM 1161 CG TRP C 20 132.983 -0.820 -5.202 1.00 0.00 C ATOM 1162 CD1 TRP C 20 132.386 -1.246 -6.356 1.00 0.00 C ATOM 1163 CD2 TRP C 20 131.938 -0.481 -4.304 1.00 0.00 C ATOM 1164 NE1 TRP C 20 131.016 -1.201 -6.209 1.00 0.00 N ATOM 1165 CE2 TRP C 20 130.726 -0.734 -4.955 1.00 0.00 C ATOM 1166 CE3 TRP C 20 131.918 0.010 -2.998 1.00 0.00 C ATOM 1167 CZ2 TRP C 20 129.507 -0.511 -4.343 1.00 0.00 C ATOM 1168 CZ3 TRP C 20 130.704 0.233 -2.395 1.00 0.00 C ATOM 1169 CH2 TRP C 20 129.513 -0.028 -3.067 1.00 0.00 C ATOM 0 H TRP C 20 135.074 0.991 -6.820 1.00 0.00 H new ATOM 0 HA TRP C 20 134.065 1.245 -4.078 1.00 0.00 H new ATOM 0 HB2 TRP C 20 135.021 -1.121 -5.707 1.00 0.00 H new ATOM 0 HB3 TRP C 20 134.680 -1.208 -3.991 1.00 0.00 H new ATOM 0 HD1 TRP C 20 132.907 -1.568 -7.245 1.00 0.00 H new ATOM 0 HE1 TRP C 20 130.332 -1.471 -6.916 1.00 0.00 H new ATOM 0 HE3 TRP C 20 132.839 0.211 -2.471 1.00 0.00 H new ATOM 0 HZ2 TRP C 20 128.580 -0.713 -4.858 1.00 0.00 H new ATOM 0 HZ3 TRP C 20 130.673 0.616 -1.386 1.00 0.00 H new ATOM 0 HH2 TRP C 20 128.573 0.156 -2.567 1.00 0.00 H new ATOM 1180 N VAL C 21 136.265 1.643 -3.042 1.00 0.00 N ATOM 1181 CA VAL C 21 137.546 1.859 -2.387 1.00 0.00 C ATOM 1182 C VAL C 21 137.640 1.017 -1.157 1.00 0.00 C ATOM 1183 O VAL C 21 136.675 0.841 -0.419 1.00 0.00 O ATOM 1184 CB VAL C 21 137.804 3.310 -1.951 1.00 0.00 C ATOM 1185 CG1 VAL C 21 139.238 3.456 -1.466 1.00 0.00 C ATOM 1186 CG2 VAL C 21 137.532 4.324 -3.046 1.00 0.00 C ATOM 0 H VAL C 21 135.464 2.047 -2.556 1.00 0.00 H new ATOM 0 HA VAL C 21 138.289 1.594 -3.139 1.00 0.00 H new ATOM 0 HB VAL C 21 137.103 3.521 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL C 21 139.415 4.487 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL C 21 139.405 2.791 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL C 21 139.923 3.195 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL C 21 137.734 5.327 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL C 21 138.177 4.119 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL C 21 136.489 4.255 -3.355 1.00 0.00 H new ATOM 1196 N LEU C 22 138.819 0.500 -0.952 1.00 0.00 N ATOM 1197 CA LEU C 22 139.087 -0.338 0.176 1.00 0.00 C ATOM 1198 C LEU C 22 138.788 0.375 1.472 1.00 0.00 C ATOM 1199 O LEU C 22 139.320 1.447 1.755 1.00 0.00 O ATOM 1200 CB LEU C 22 140.522 -0.791 0.133 1.00 0.00 C ATOM 1201 CG LEU C 22 140.697 -2.267 -0.210 1.00 0.00 C ATOM 1202 CD1 LEU C 22 142.035 -2.783 0.250 1.00 0.00 C ATOM 1203 CD2 LEU C 22 139.600 -3.100 0.412 1.00 0.00 C ATOM 0 H LEU C 22 139.620 0.650 -1.565 1.00 0.00 H new ATOM 0 HA LEU C 22 138.434 -1.209 0.128 1.00 0.00 H new ATOM 0 HB2 LEU C 22 141.060 -0.192 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU C 22 140.983 -0.597 1.101 1.00 0.00 H new ATOM 0 HG LEU C 22 140.642 -2.352 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU C 22 142.127 -3.838 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU C 22 142.830 -2.218 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU C 22 142.118 -2.667 1.331 1.00 0.00 H new ATOM 0 HD21 LEU C 22 139.748 -4.148 0.152 1.00 0.00 H new ATOM 0 HD22 LEU C 22 139.628 -2.987 1.496 1.00 0.00 H new ATOM 0 HD23 LEU C 22 138.633 -2.766 0.037 1.00 0.00 H new ATOM 1215 N LEU C 23 137.939 -0.247 2.256 1.00 0.00 N ATOM 1216 CA LEU C 23 137.554 0.288 3.539 1.00 0.00 C ATOM 1217 C LEU C 23 138.772 0.468 4.421 1.00 0.00 C ATOM 1218 O LEU C 23 138.993 1.536 4.976 1.00 0.00 O ATOM 1219 CB LEU C 23 136.579 -0.666 4.200 1.00 0.00 C ATOM 1220 CG LEU C 23 136.323 -0.432 5.690 1.00 0.00 C ATOM 1221 CD1 LEU C 23 135.670 0.908 5.960 1.00 0.00 C ATOM 1222 CD2 LEU C 23 135.475 -1.547 6.248 1.00 0.00 C ATOM 0 H LEU C 23 137.497 -1.136 2.022 1.00 0.00 H new ATOM 0 HA LEU C 23 137.082 1.260 3.397 1.00 0.00 H new ATOM 0 HB2 LEU C 23 135.627 -0.605 3.673 1.00 0.00 H new ATOM 0 HB3 LEU C 23 136.950 -1.683 4.070 1.00 0.00 H new ATOM 0 HG LEU C 23 137.292 -0.423 6.189 1.00 0.00 H new ATOM 0 HD11 LEU C 23 135.510 1.025 7.032 1.00 0.00 H new ATOM 0 HD12 LEU C 23 136.318 1.707 5.600 1.00 0.00 H new ATOM 0 HD13 LEU C 23 134.712 0.957 5.442 1.00 0.00 H new ATOM 0 HD21 LEU C 23 135.297 -1.373 7.309 1.00 0.00 H new ATOM 0 HD22 LEU C 23 134.522 -1.578 5.721 1.00 0.00 H new ATOM 0 HD23 LEU C 23 135.992 -2.498 6.118 1.00 0.00 H new ATOM 1234 N SER C 24 139.555 -0.596 4.554 1.00 0.00 N ATOM 1235 CA SER C 24 140.765 -0.573 5.375 1.00 0.00 C ATOM 1236 C SER C 24 141.569 0.709 5.150 1.00 0.00 C ATOM 1237 O SER C 24 142.284 1.164 6.043 1.00 0.00 O ATOM 1238 CB SER C 24 141.633 -1.791 5.062 1.00 0.00 C ATOM 1239 OG SER C 24 142.840 -1.763 5.805 1.00 0.00 O ATOM 0 H SER C 24 139.374 -1.492 4.102 1.00 0.00 H new ATOM 0 HA SER C 24 140.460 -0.602 6.421 1.00 0.00 H new ATOM 0 HB2 SER C 24 141.082 -2.703 5.292 1.00 0.00 H new ATOM 0 HB3 SER C 24 141.859 -1.816 3.996 1.00 0.00 H new ATOM 0 HG SER C 24 143.376 -2.554 5.588 1.00 0.00 H new ATOM 1245 N THR C 25 141.430 1.301 3.965 1.00 0.00 N ATOM 1246 CA THR C 25 142.140 2.542 3.678 1.00 0.00 C ATOM 1247 C THR C 25 141.570 3.671 4.539 1.00 0.00 C ATOM 1248 O THR C 25 142.198 4.712 4.736 1.00 0.00 O ATOM 1249 CB THR C 25 142.025 2.903 2.192 1.00 0.00 C ATOM 1250 OG1 THR C 25 142.732 1.968 1.393 1.00 0.00 O ATOM 1251 CG2 THR C 25 142.545 4.282 1.844 1.00 0.00 C ATOM 0 H THR C 25 140.846 0.950 3.205 1.00 0.00 H new ATOM 0 HA THR C 25 143.195 2.404 3.914 1.00 0.00 H new ATOM 0 HB THR C 25 140.955 2.884 1.987 1.00 0.00 H new ATOM 0 HG1 THR C 25 142.646 2.214 0.448 1.00 0.00 H new ATOM 0 HG21 THR C 25 142.426 4.456 0.775 1.00 0.00 H new ATOM 0 HG22 THR C 25 141.983 5.033 2.399 1.00 0.00 H new ATOM 0 HG23 THR C 25 143.600 4.350 2.108 1.00 0.00 H new ATOM 1259 N PHE C 26 140.364 3.431 5.043 1.00 0.00 N ATOM 1260 CA PHE C 26 139.638 4.367 5.888 1.00 0.00 C ATOM 1261 C PHE C 26 139.776 3.991 7.351 1.00 0.00 C ATOM 1262 O PHE C 26 139.296 4.696 8.231 1.00 0.00 O ATOM 1263 CB PHE C 26 138.169 4.368 5.480 1.00 0.00 C ATOM 1264 CG PHE C 26 137.944 5.042 4.150 1.00 0.00 C ATOM 1265 CD1 PHE C 26 138.009 4.306 2.978 1.00 0.00 C ATOM 1266 CD2 PHE C 26 137.687 6.403 4.065 1.00 0.00 C ATOM 1267 CE1 PHE C 26 137.823 4.908 1.746 1.00 0.00 C ATOM 1268 CE2 PHE C 26 137.497 7.015 2.836 1.00 0.00 C ATOM 1269 CZ PHE C 26 137.565 6.269 1.671 1.00 0.00 C ATOM 0 H PHE C 26 139.856 2.563 4.871 1.00 0.00 H new ATOM 0 HA PHE C 26 140.057 5.365 5.758 1.00 0.00 H new ATOM 0 HB2 PHE C 26 137.808 3.341 5.430 1.00 0.00 H new ATOM 0 HB3 PHE C 26 137.582 4.875 6.246 1.00 0.00 H new ATOM 0 HD1 PHE C 26 138.208 3.246 3.027 1.00 0.00 H new ATOM 0 HD2 PHE C 26 137.634 6.993 4.968 1.00 0.00 H new ATOM 0 HE1 PHE C 26 137.879 4.318 0.843 1.00 0.00 H new ATOM 0 HE2 PHE C 26 137.296 8.075 2.787 1.00 0.00 H new ATOM 0 HZ PHE C 26 137.418 6.743 0.712 1.00 0.00 H new ATOM 1279 N LEU C 27 140.437 2.879 7.617 1.00 0.00 N ATOM 1280 CA LEU C 27 140.618 2.429 8.977 1.00 0.00 C ATOM 1281 C LEU C 27 142.085 2.517 9.399 1.00 0.00 C ATOM 1282 O LEU C 27 142.562 3.646 9.638 1.00 0.00 O ATOM 1283 CB LEU C 27 140.095 1.002 9.109 1.00 0.00 C ATOM 1284 CG LEU C 27 138.871 0.850 10.006 1.00 0.00 C ATOM 1285 CD1 LEU C 27 137.818 1.911 9.724 1.00 0.00 C ATOM 1286 CD2 LEU C 27 138.291 -0.540 9.891 1.00 0.00 C ATOM 1287 OXT LEU C 27 142.744 1.459 9.487 1.00 0.00 O ATOM 0 H LEU C 27 140.855 2.275 6.909 1.00 0.00 H new ATOM 0 HA LEU C 27 140.053 3.080 9.644 1.00 0.00 H new ATOM 0 HB2 LEU C 27 139.849 0.627 8.116 1.00 0.00 H new ATOM 0 HB3 LEU C 27 140.894 0.372 9.499 1.00 0.00 H new ATOM 0 HG LEU C 27 139.202 0.999 11.034 1.00 0.00 H new ATOM 0 HD11 LEU C 27 136.965 1.762 10.387 1.00 0.00 H new ATOM 0 HD12 LEU C 27 138.243 2.900 9.896 1.00 0.00 H new ATOM 0 HD13 LEU C 27 137.490 1.832 8.687 1.00 0.00 H new ATOM 0 HD21 LEU C 27 137.419 -0.625 10.539 1.00 0.00 H new ATOM 0 HD22 LEU C 27 137.995 -0.727 8.859 1.00 0.00 H new ATOM 0 HD23 LEU C 27 139.040 -1.273 10.192 1.00 0.00 H new