USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=18 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 :FLIP amide:sc= -2.44! C(o=-3.1!,f=-2.4!) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= -3.64! (180deg=-7.32!) 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+ 176:sc= 0 (180deg=-0.051) USER MOD Single : B 2 TYR OH : rot -149:sc= 0.0681 USER MOD Single : B 11 GLN : amide:sc= -0.438 K(o=-0.44,f=-2.5!) USER MOD Single : B 13 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 157:sc= -3.24! (180deg=-4.93!) USER MOD Single : B 24 SER OG : rot -24:sc= 0.0612 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 GLY N :NH3+ 169:sc= -0.0205 (180deg=-0.118) USER MOD Single : C 2 TYR OH : rot 180:sc= 0 USER MOD Single : C 11 GLN : amide:sc= -3.2! C(o=-3.2!,f=-7.1!) USER MOD Single : C 13 TYR OH : rot 180:sc= -0.111 USER MOD Single : C 16 LYS NZ :NH3+ -155:sc= -2.16 (180deg=-4.35!) 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 2 126.285 -4.751 -11.729 1.00 0.00 N ATOM 11 CA TYR A 2 125.976 -4.020 -10.502 1.00 0.00 C ATOM 12 C TYR A 2 125.700 -4.964 -9.331 1.00 0.00 C ATOM 13 O TYR A 2 125.413 -6.146 -9.519 1.00 0.00 O ATOM 14 CB TYR A 2 124.764 -3.104 -10.708 1.00 0.00 C ATOM 15 CG TYR A 2 124.973 -1.954 -11.679 1.00 0.00 C ATOM 16 CD1 TYR A 2 126.149 -1.803 -12.408 1.00 0.00 C ATOM 17 CD2 TYR A 2 123.973 -1.013 -11.859 1.00 0.00 C ATOM 18 CE1 TYR A 2 126.315 -0.746 -13.284 1.00 0.00 C ATOM 19 CE2 TYR A 2 124.129 0.046 -12.733 1.00 0.00 C ATOM 20 CZ TYR A 2 125.302 0.177 -13.443 1.00 0.00 C ATOM 21 OH TYR A 2 125.459 1.232 -14.315 1.00 0.00 O ATOM 0 HA TYR A 2 126.853 -3.419 -10.261 1.00 0.00 H new ATOM 0 HB2 TYR A 2 123.929 -3.709 -11.062 1.00 0.00 H new ATOM 0 HB3 TYR A 2 124.473 -2.693 -9.742 1.00 0.00 H new ATOM 0 HD1 TYR A 2 126.945 -2.523 -12.288 1.00 0.00 H new ATOM 0 HD2 TYR A 2 123.051 -1.109 -11.304 1.00 0.00 H new ATOM 0 HE1 TYR A 2 127.234 -0.643 -13.842 1.00 0.00 H new ATOM 0 HE2 TYR A 2 123.335 0.767 -12.859 1.00 0.00 H new ATOM 0 HH TYR A 2 124.651 1.786 -14.307 1.00 0.00 H new ATOM 31 N ILE A 3 125.772 -4.413 -8.122 1.00 0.00 N ATOM 32 CA ILE A 3 125.509 -5.170 -6.897 1.00 0.00 C ATOM 33 C ILE A 3 124.059 -5.054 -6.473 1.00 0.00 C ATOM 34 O ILE A 3 123.365 -4.106 -6.840 1.00 0.00 O ATOM 35 CB ILE A 3 126.324 -4.703 -5.684 1.00 0.00 C ATOM 36 CG1 ILE A 3 126.730 -3.242 -5.806 1.00 0.00 C ATOM 37 CG2 ILE A 3 127.540 -5.573 -5.452 1.00 0.00 C ATOM 38 CD1 ILE A 3 127.135 -2.638 -4.486 1.00 0.00 C ATOM 0 H ILE A 3 126.013 -3.435 -7.962 1.00 0.00 H new ATOM 0 HA ILE A 3 125.788 -6.190 -7.162 1.00 0.00 H new ATOM 0 HB ILE A 3 125.672 -4.801 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 3 127.559 -3.157 -6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 3 125.899 -2.672 -6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 3 128.089 -5.207 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 3 127.224 -6.601 -5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 3 128.185 -5.538 -6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 3 127.414 -1.595 -4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 3 126.299 -2.695 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 3 127.984 -3.187 -4.080 1.00 0.00 H new ATOM 50 N PRO A 4 123.594 -5.999 -5.649 1.00 0.00 N ATOM 51 CA PRO A 4 122.249 -5.979 -5.131 1.00 0.00 C ATOM 52 C PRO A 4 122.160 -5.172 -3.831 1.00 0.00 C ATOM 53 O PRO A 4 123.085 -5.152 -3.026 1.00 0.00 O ATOM 54 CB PRO A 4 121.938 -7.458 -4.910 1.00 0.00 C ATOM 55 CG PRO A 4 123.274 -8.132 -4.739 1.00 0.00 C ATOM 56 CD PRO A 4 124.352 -7.137 -5.120 1.00 0.00 C ATOM 0 HA PRO A 4 121.538 -5.497 -5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 4 121.312 -7.599 -4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 4 121.394 -7.875 -5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 4 123.406 -8.461 -3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 4 123.336 -9.020 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 4 124.957 -6.851 -4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 4 125.032 -7.548 -5.866 1.00 0.00 H new ATOM 64 N GLU A 5 121.032 -4.481 -3.681 1.00 0.00 N ATOM 65 CA GLU A 5 120.745 -3.613 -2.541 1.00 0.00 C ATOM 66 C GLU A 5 120.986 -4.293 -1.186 1.00 0.00 C ATOM 67 O GLU A 5 120.693 -5.474 -1.002 1.00 0.00 O ATOM 68 CB GLU A 5 119.292 -3.129 -2.641 1.00 0.00 C ATOM 69 CG GLU A 5 118.738 -2.510 -1.365 1.00 0.00 C ATOM 70 CD GLU A 5 118.598 -1.004 -1.449 1.00 0.00 C ATOM 71 OE1 GLU A 5 117.793 -0.528 -2.276 1.00 0.00 O ATOM 72 OE2 GLU A 5 119.301 -0.299 -0.689 1.00 0.00 O ATOM 0 H GLU A 5 120.275 -4.510 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 5 121.437 -2.772 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 5 119.222 -2.396 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 5 118.661 -3.972 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 5 117.764 -2.948 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 5 119.393 -2.762 -0.531 1.00 0.00 H new ATOM 79 N ALA A 6 121.497 -3.504 -0.237 1.00 0.00 N ATOM 80 CA ALA A 6 121.760 -3.970 1.126 1.00 0.00 C ATOM 81 C ALA A 6 120.509 -3.817 1.998 1.00 0.00 C ATOM 82 O ALA A 6 119.562 -3.131 1.619 1.00 0.00 O ATOM 83 CB ALA A 6 122.924 -3.191 1.736 1.00 0.00 C ATOM 0 H ALA A 6 121.740 -2.525 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 6 122.026 -5.026 1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 6 123.109 -3.547 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 6 123.818 -3.339 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 6 122.677 -2.130 1.764 1.00 0.00 H new ATOM 89 N PRO A 7 120.486 -4.449 3.184 1.00 0.00 N ATOM 90 CA PRO A 7 119.344 -4.356 4.101 1.00 0.00 C ATOM 91 C PRO A 7 119.034 -2.906 4.469 1.00 0.00 C ATOM 92 O PRO A 7 119.938 -2.072 4.528 1.00 0.00 O ATOM 93 CB PRO A 7 119.804 -5.125 5.346 1.00 0.00 C ATOM 94 CG PRO A 7 120.940 -5.982 4.895 1.00 0.00 C ATOM 95 CD PRO A 7 121.571 -5.283 3.723 1.00 0.00 C ATOM 0 HA PRO A 7 118.433 -4.756 3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 7 120.118 -4.441 6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 7 118.994 -5.731 5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 7 121.663 -6.120 5.699 1.00 0.00 H new ATOM 0 HG3 PRO A 7 120.587 -6.973 4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 7 122.425 -4.679 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 7 121.934 -5.994 2.981 1.00 0.00 H new ATOM 103 N ARG A 8 117.761 -2.600 4.719 1.00 0.00 N ATOM 104 CA ARG A 8 117.358 -1.244 5.083 1.00 0.00 C ATOM 105 C ARG A 8 116.862 -1.164 6.527 1.00 0.00 C ATOM 106 O ARG A 8 115.705 -0.831 6.784 1.00 0.00 O ATOM 107 CB ARG A 8 116.301 -0.725 4.128 1.00 0.00 C ATOM 108 CG ARG A 8 116.829 -0.476 2.720 1.00 0.00 C ATOM 109 CD ARG A 8 115.801 0.225 1.847 1.00 0.00 C ATOM 110 NE ARG A 8 116.269 0.411 0.476 1.00 0.00 N ATOM 111 CZ ARG A 8 115.783 1.333 -0.356 1.00 0.00 C ATOM 112 NH1 ARG A 8 114.821 2.158 0.042 1.00 0.00 N ATOM 113 NH2 ARG A 8 116.258 1.432 -1.590 1.00 0.00 N ATOM 0 H ARG A 8 116.994 -3.271 4.676 1.00 0.00 H new ATOM 0 HA ARG A 8 118.242 -0.611 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 8 115.482 -1.442 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 8 115.889 0.203 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 8 117.734 0.129 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 8 117.107 -1.426 2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 8 114.879 -0.357 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 8 115.561 1.196 2.281 1.00 0.00 H new ATOM 0 HE ARG A 8 117.011 -0.200 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 8 114.449 2.089 0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 8 114.454 2.861 -0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 8 116.996 0.802 -1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 8 115.885 2.138 -2.225 1.00 0.00 H new ATOM 127 N ASP A 9 117.754 -1.465 7.457 1.00 0.00 N ATOM 128 CA ASP A 9 117.441 -1.430 8.887 1.00 0.00 C ATOM 129 C ASP A 9 118.249 -0.346 9.602 1.00 0.00 C ATOM 130 O ASP A 9 118.392 -0.374 10.825 1.00 0.00 O ATOM 131 CB ASP A 9 117.758 -2.776 9.543 1.00 0.00 C ATOM 132 CG ASP A 9 119.220 -3.154 9.415 1.00 0.00 C ATOM 133 OD1 ASP A 9 119.867 -2.707 8.444 1.00 0.00 O ATOM 134 OD2 ASP A 9 119.718 -3.900 10.284 1.00 0.00 O ATOM 0 H ASP A 9 118.714 -1.740 7.249 1.00 0.00 H new ATOM 0 HA ASP A 9 116.377 -1.212 8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 9 117.488 -2.735 10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 9 117.144 -3.552 9.087 1.00 0.00 H new ATOM 139 N GLY A 10 118.783 0.598 8.839 1.00 0.00 N ATOM 140 CA GLY A 10 119.577 1.665 9.421 1.00 0.00 C ATOM 141 C GLY A 10 120.979 1.212 9.739 1.00 0.00 C ATOM 142 O GLY A 10 121.704 1.888 10.466 1.00 0.00 O ATOM 0 H GLY A 10 118.681 0.645 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 10 119.615 2.507 8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 10 119.095 2.021 10.332 1.00 0.00 H new ATOM 146 N GLN A 11 121.380 0.071 9.197 1.00 0.00 N ATOM 147 CA GLN A 11 122.722 -0.415 9.437 1.00 0.00 C ATOM 148 C GLN A 11 123.543 -0.159 8.203 1.00 0.00 C ATOM 149 O GLN A 11 123.048 -0.277 7.082 1.00 0.00 O ATOM 150 CB GLN A 11 122.743 -1.880 9.790 1.00 0.00 C ATOM 151 CG GLN A 11 122.081 -2.199 11.119 1.00 0.00 C ATOM 152 CD GLN A 11 122.967 -1.893 12.319 1.00 0.00 C ATOM 153 OE1 GLN A 11 123.233 -0.612 12.564 1.00 0.00 O flip ATOM 154 NE2 GLN A 11 123.404 -2.802 13.024 1.00 0.00 N flip ATOM 0 H GLN A 11 120.804 -0.523 8.600 1.00 0.00 H new ATOM 0 HA GLN A 11 123.140 0.115 10.293 1.00 0.00 H new ATOM 0 HB2 GLN A 11 122.243 -2.442 9.001 1.00 0.00 H new ATOM 0 HB3 GLN A 11 123.777 -2.223 9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 11 121.156 -1.628 11.203 1.00 0.00 H new ATOM 0 HG3 GLN A 11 121.807 -3.254 11.137 1.00 0.00 H new ATOM 0 HE21 GLN A 11 123.178 -3.772 12.804 1.00 0.00 H new ATOM 0 HE22 GLN A 11 123.992 -2.586 13.829 1.00 0.00 H new ATOM 163 N ALA A 12 124.784 0.216 8.401 1.00 0.00 N ATOM 164 CA ALA A 12 125.668 0.524 7.307 1.00 0.00 C ATOM 165 C ALA A 12 126.443 -0.692 6.885 1.00 0.00 C ATOM 166 O ALA A 12 126.942 -1.456 7.711 1.00 0.00 O ATOM 167 CB ALA A 12 126.590 1.676 7.677 1.00 0.00 C ATOM 0 H ALA A 12 125.207 0.316 9.324 1.00 0.00 H new ATOM 0 HA ALA A 12 125.068 0.838 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 12 127.252 1.896 6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 12 125.994 2.558 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 12 127.186 1.400 8.547 1.00 0.00 H new ATOM 173 N TYR A 13 126.502 -0.881 5.587 1.00 0.00 N ATOM 174 CA TYR A 13 127.173 -2.024 5.023 1.00 0.00 C ATOM 175 C TYR A 13 128.306 -1.633 4.114 1.00 0.00 C ATOM 176 O TYR A 13 128.267 -0.627 3.413 1.00 0.00 O ATOM 177 CB TYR A 13 126.201 -2.853 4.222 1.00 0.00 C ATOM 178 CG TYR A 13 125.296 -3.641 5.114 1.00 0.00 C ATOM 179 CD1 TYR A 13 125.781 -4.734 5.785 1.00 0.00 C ATOM 180 CD2 TYR A 13 123.990 -3.263 5.327 1.00 0.00 C ATOM 181 CE1 TYR A 13 124.991 -5.449 6.647 1.00 0.00 C ATOM 182 CE2 TYR A 13 123.184 -3.966 6.198 1.00 0.00 C ATOM 183 CZ TYR A 13 123.690 -5.062 6.857 1.00 0.00 C ATOM 184 OH TYR A 13 122.894 -5.771 7.727 1.00 0.00 O ATOM 0 H TYR A 13 126.089 -0.251 4.899 1.00 0.00 H new ATOM 0 HA TYR A 13 127.576 -2.592 5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 13 125.607 -2.202 3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 13 126.750 -3.530 3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 13 126.806 -5.038 5.631 1.00 0.00 H new ATOM 0 HD2 TYR A 13 123.591 -2.405 4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 13 125.390 -6.313 7.159 1.00 0.00 H new ATOM 0 HE2 TYR A 13 122.162 -3.658 6.361 1.00 0.00 H new ATOM 0 HH TYR A 13 122.003 -5.364 7.761 1.00 0.00 H new ATOM 194 N VAL A 14 129.271 -2.496 4.086 1.00 0.00 N ATOM 195 CA VAL A 14 130.417 -2.352 3.235 1.00 0.00 C ATOM 196 C VAL A 14 130.230 -3.323 2.111 1.00 0.00 C ATOM 197 O VAL A 14 129.499 -4.304 2.257 1.00 0.00 O ATOM 198 CB VAL A 14 131.711 -2.713 3.983 1.00 0.00 C ATOM 199 CG1 VAL A 14 132.710 -1.570 4.020 1.00 0.00 C ATOM 200 CG2 VAL A 14 131.390 -3.192 5.389 1.00 0.00 C ATOM 0 H VAL A 14 129.288 -3.337 4.663 1.00 0.00 H new ATOM 0 HA VAL A 14 130.503 -1.321 2.891 1.00 0.00 H new ATOM 0 HB VAL A 14 132.186 -3.521 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 14 133.603 -1.884 4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 14 132.982 -1.291 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 14 132.264 -0.713 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 14 132.315 -3.444 5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 14 130.873 -2.402 5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 14 130.752 -4.074 5.336 1.00 0.00 H new ATOM 210 N ARG A 15 130.861 -3.074 0.994 1.00 0.00 N ATOM 211 CA ARG A 15 130.705 -3.968 -0.112 1.00 0.00 C ATOM 212 C ARG A 15 131.972 -4.786 -0.256 1.00 0.00 C ATOM 213 O ARG A 15 133.058 -4.264 -0.499 1.00 0.00 O ATOM 214 CB ARG A 15 130.337 -3.189 -1.378 1.00 0.00 C ATOM 215 CG ARG A 15 129.120 -3.667 -2.150 1.00 0.00 C ATOM 216 CD ARG A 15 128.821 -5.155 -2.053 1.00 0.00 C ATOM 217 NE ARG A 15 129.677 -5.999 -2.899 1.00 0.00 N ATOM 218 CZ ARG A 15 130.261 -5.624 -4.026 1.00 0.00 C ATOM 219 NH1 ARG A 15 129.938 -4.479 -4.608 1.00 0.00 N ATOM 220 NH2 ARG A 15 131.130 -6.445 -4.602 1.00 0.00 N ATOM 0 H ARG A 15 131.475 -2.276 0.831 1.00 0.00 H new ATOM 0 HA ARG A 15 129.882 -4.661 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 15 130.175 -2.148 -1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 15 131.195 -3.210 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 15 128.249 -3.116 -1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 15 129.255 -3.410 -3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 15 128.932 -5.469 -1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 15 127.780 -5.323 -2.327 1.00 0.00 H new ATOM 0 HE ARG A 15 129.835 -6.958 -2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 15 129.232 -3.875 -4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 15 130.395 -4.201 -5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 15 131.338 -7.348 -4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 15 131.590 -6.173 -5.471 1.00 0.00 H new ATOM 234 N LYS A 16 131.803 -6.089 -0.050 1.00 0.00 N ATOM 235 CA LYS A 16 132.905 -7.038 -0.091 1.00 0.00 C ATOM 236 C LYS A 16 132.419 -8.410 -0.512 1.00 0.00 C ATOM 237 O LYS A 16 131.480 -8.949 0.076 1.00 0.00 O ATOM 238 CB LYS A 16 133.557 -7.143 1.301 1.00 0.00 C ATOM 239 CG LYS A 16 132.993 -8.253 2.190 1.00 0.00 C ATOM 240 CD LYS A 16 133.882 -8.494 3.404 1.00 0.00 C ATOM 241 CE LYS A 16 135.068 -9.362 3.063 1.00 0.00 C ATOM 242 NZ LYS A 16 134.691 -10.494 2.173 1.00 0.00 N ATOM 0 H LYS A 16 130.898 -6.514 0.150 1.00 0.00 H new ATOM 0 HA LYS A 16 133.634 -6.680 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 16 134.627 -7.306 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 16 133.439 -6.189 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 16 131.989 -7.984 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 16 132.903 -9.174 1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 16 134.231 -7.538 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 16 133.299 -8.968 4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 16 135.833 -8.757 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 16 135.507 -9.753 3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 135.339 -11.291 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 133.717 -10.792 2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 134.752 -10.190 1.180 1.00 0.00 H new ATOM 256 N ASP A 17 133.072 -8.999 -1.495 1.00 0.00 N ATOM 257 CA ASP A 17 132.709 -10.332 -1.925 1.00 0.00 C ATOM 258 C ASP A 17 131.233 -10.423 -2.295 1.00 0.00 C ATOM 259 O ASP A 17 130.564 -11.405 -1.973 1.00 0.00 O ATOM 260 CB ASP A 17 133.028 -11.323 -0.806 1.00 0.00 C ATOM 261 CG ASP A 17 134.075 -12.336 -1.215 1.00 0.00 C ATOM 262 OD1 ASP A 17 135.094 -11.924 -1.810 1.00 0.00 O ATOM 263 OD2 ASP A 17 133.879 -13.539 -0.943 1.00 0.00 O ATOM 0 H ASP A 17 133.849 -8.579 -2.006 1.00 0.00 H new ATOM 0 HA ASP A 17 133.286 -10.574 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 17 133.377 -10.777 0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 17 132.116 -11.844 -0.515 1.00 0.00 H new ATOM 268 N GLY A 18 130.734 -9.415 -2.995 1.00 0.00 N ATOM 269 CA GLY A 18 129.350 -9.397 -3.422 1.00 0.00 C ATOM 270 C GLY A 18 128.333 -9.389 -2.288 1.00 0.00 C ATOM 271 O GLY A 18 127.162 -9.688 -2.525 1.00 0.00 O ATOM 0 H GLY A 18 131.273 -8.597 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 18 129.187 -8.517 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 18 129.167 -10.269 -4.050 1.00 0.00 H new ATOM 275 N GLU A 19 128.744 -9.066 -1.055 1.00 0.00 N ATOM 276 CA GLU A 19 127.807 -9.061 0.053 1.00 0.00 C ATOM 277 C GLU A 19 127.917 -7.789 0.872 1.00 0.00 C ATOM 278 O GLU A 19 128.920 -7.077 0.814 1.00 0.00 O ATOM 279 CB GLU A 19 128.059 -10.257 0.970 1.00 0.00 C ATOM 280 CG GLU A 19 129.061 -11.275 0.443 1.00 0.00 C ATOM 281 CD GLU A 19 130.197 -11.533 1.413 1.00 0.00 C ATOM 282 OE1 GLU A 19 130.726 -10.555 1.982 1.00 0.00 O ATOM 283 OE2 GLU A 19 130.559 -12.713 1.602 1.00 0.00 O ATOM 0 H GLU A 19 129.701 -8.811 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 19 126.806 -9.120 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 19 128.411 -9.889 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.111 -10.763 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 19 128.545 -12.213 0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 19 129.470 -10.920 -0.503 1.00 0.00 H new ATOM 290 N TRP A 20 126.877 -7.519 1.651 1.00 0.00 N ATOM 291 CA TRP A 20 126.852 -6.348 2.498 1.00 0.00 C ATOM 292 C TRP A 20 127.216 -6.707 3.931 1.00 0.00 C ATOM 293 O TRP A 20 126.456 -7.383 4.625 1.00 0.00 O ATOM 294 CB TRP A 20 125.485 -5.659 2.455 1.00 0.00 C ATOM 295 CG TRP A 20 125.195 -5.089 1.109 1.00 0.00 C ATOM 296 CD1 TRP A 20 124.246 -5.490 0.213 1.00 0.00 C ATOM 297 CD2 TRP A 20 125.894 -4.010 0.499 1.00 0.00 C ATOM 298 NE1 TRP A 20 124.317 -4.710 -0.918 1.00 0.00 N ATOM 299 CE2 TRP A 20 125.320 -3.798 -0.762 1.00 0.00 C ATOM 300 CE3 TRP A 20 126.954 -3.198 0.904 1.00 0.00 C ATOM 301 CZ2 TRP A 20 125.768 -2.811 -1.622 1.00 0.00 C ATOM 302 CZ3 TRP A 20 127.402 -2.221 0.046 1.00 0.00 C ATOM 303 CH2 TRP A 20 126.805 -2.035 -1.205 1.00 0.00 C ATOM 0 H TRP A 20 126.041 -8.101 1.709 1.00 0.00 H new ATOM 0 HA TRP A 20 127.596 -5.650 2.114 1.00 0.00 H new ATOM 0 HB2 TRP A 20 124.708 -6.376 2.721 1.00 0.00 H new ATOM 0 HB3 TRP A 20 125.455 -4.864 3.201 1.00 0.00 H new ATOM 0 HD1 TRP A 20 123.546 -6.297 0.369 1.00 0.00 H new ATOM 0 HE1 TRP A 20 123.718 -4.799 -1.739 1.00 0.00 H new ATOM 0 HE3 TRP A 20 127.413 -3.334 1.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 125.311 -2.662 -2.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 128.226 -1.589 0.342 1.00 0.00 H new ATOM 0 HH2 TRP A 20 127.176 -1.257 -1.856 1.00 0.00 H new ATOM 314 N VAL A 21 128.370 -6.227 4.379 1.00 0.00 N ATOM 315 CA VAL A 21 128.817 -6.474 5.745 1.00 0.00 C ATOM 316 C VAL A 21 128.725 -5.205 6.544 1.00 0.00 C ATOM 317 O VAL A 21 129.024 -4.120 6.058 1.00 0.00 O ATOM 318 CB VAL A 21 130.269 -6.981 5.846 1.00 0.00 C ATOM 319 CG1 VAL A 21 130.556 -7.426 7.272 1.00 0.00 C ATOM 320 CG2 VAL A 21 130.572 -8.125 4.889 1.00 0.00 C ATOM 0 H VAL A 21 129.012 -5.666 3.819 1.00 0.00 H new ATOM 0 HA VAL A 21 128.162 -7.255 6.132 1.00 0.00 H new ATOM 0 HB VAL A 21 130.914 -6.149 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 21 131.583 -7.784 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 21 130.419 -6.584 7.951 1.00 0.00 H new ATOM 0 HG13 VAL A 21 129.872 -8.229 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 21 131.610 -8.435 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 21 129.914 -8.966 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 21 130.410 -7.794 3.863 1.00 0.00 H new ATOM 330 N LEU A 22 128.288 -5.352 7.770 1.00 0.00 N ATOM 331 CA LEU A 22 128.130 -4.228 8.651 1.00 0.00 C ATOM 332 C LEU A 22 129.422 -3.437 8.801 1.00 0.00 C ATOM 333 O LEU A 22 130.475 -3.982 9.132 1.00 0.00 O ATOM 334 CB LEU A 22 127.629 -4.704 9.986 1.00 0.00 C ATOM 335 CG LEU A 22 126.236 -4.185 10.337 1.00 0.00 C ATOM 336 CD1 LEU A 22 125.939 -4.433 11.787 1.00 0.00 C ATOM 337 CD2 LEU A 22 126.108 -2.699 10.019 1.00 0.00 C ATOM 0 H LEU A 22 128.034 -6.250 8.181 1.00 0.00 H new ATOM 0 HA LEU A 22 127.398 -3.550 8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 22 127.613 -5.794 9.991 1.00 0.00 H new ATOM 0 HB3 LEU A 22 128.330 -4.391 10.760 1.00 0.00 H new ATOM 0 HG LEU A 22 125.510 -4.725 9.729 1.00 0.00 H new ATOM 0 HD11 LEU A 22 124.943 -4.058 12.024 1.00 0.00 H new ATOM 0 HD12 LEU A 22 125.982 -5.503 11.989 1.00 0.00 H new ATOM 0 HD13 LEU A 22 126.676 -3.918 12.403 1.00 0.00 H new ATOM 0 HD21 LEU A 22 125.106 -2.356 10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 22 126.844 -2.139 10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 22 126.282 -2.538 8.955 1.00 0.00 H new ATOM 349 N LEU A 23 129.315 -2.142 8.554 1.00 0.00 N ATOM 350 CA LEU A 23 130.440 -1.226 8.651 1.00 0.00 C ATOM 351 C LEU A 23 131.041 -1.243 10.042 1.00 0.00 C ATOM 352 O LEU A 23 132.257 -1.163 10.211 1.00 0.00 O ATOM 353 CB LEU A 23 129.949 0.182 8.347 1.00 0.00 C ATOM 354 CG LEU A 23 130.973 1.320 8.466 1.00 0.00 C ATOM 355 CD1 LEU A 23 132.354 0.901 7.998 1.00 0.00 C ATOM 356 CD2 LEU A 23 130.502 2.518 7.669 1.00 0.00 C ATOM 0 H LEU A 23 128.441 -1.694 8.279 1.00 0.00 H new ATOM 0 HA LEU A 23 131.205 -1.536 7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 23 129.551 0.190 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 23 129.118 0.403 9.017 1.00 0.00 H new ATOM 0 HG LEU A 23 131.051 1.581 9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 23 133.043 1.739 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 23 132.705 0.066 8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 23 132.307 0.597 6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.232 3.323 7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.394 2.238 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.540 2.857 8.055 1.00 0.00 H new ATOM 368 N SER A 24 130.178 -1.319 11.039 1.00 0.00 N ATOM 369 CA SER A 24 130.619 -1.309 12.427 1.00 0.00 C ATOM 370 C SER A 24 131.476 -2.528 12.737 1.00 0.00 C ATOM 371 O SER A 24 132.252 -2.513 13.693 1.00 0.00 O ATOM 372 CB SER A 24 129.414 -1.268 13.369 1.00 0.00 C ATOM 373 OG SER A 24 129.621 -0.345 14.424 1.00 0.00 O ATOM 0 H SER A 24 129.168 -1.388 10.916 1.00 0.00 H new ATOM 0 HA SER A 24 131.223 -0.415 12.580 1.00 0.00 H new ATOM 0 HB2 SER A 24 128.521 -0.991 12.809 1.00 0.00 H new ATOM 0 HB3 SER A 24 129.237 -2.262 13.781 1.00 0.00 H new ATOM 0 HG SER A 24 128.836 -0.337 15.010 1.00 0.00 H new ATOM 379 N THR A 25 131.380 -3.563 11.911 1.00 0.00 N ATOM 380 CA THR A 25 132.213 -4.736 12.121 1.00 0.00 C ATOM 381 C THR A 25 133.666 -4.383 11.795 1.00 0.00 C ATOM 382 O THR A 25 134.600 -5.084 12.185 1.00 0.00 O ATOM 383 CB THR A 25 131.745 -5.909 11.252 1.00 0.00 C ATOM 384 OG1 THR A 25 130.512 -6.419 11.727 1.00 0.00 O ATOM 385 CG2 THR A 25 132.722 -7.065 11.192 1.00 0.00 C ATOM 0 H THR A 25 130.750 -3.614 11.110 1.00 0.00 H new ATOM 0 HA THR A 25 132.133 -5.043 13.164 1.00 0.00 H new ATOM 0 HB THR A 25 131.652 -5.493 10.249 1.00 0.00 H new ATOM 0 HG1 THR A 25 130.227 -7.166 11.160 1.00 0.00 H new ATOM 0 HG21 THR A 25 132.315 -7.852 10.557 1.00 0.00 H new ATOM 0 HG22 THR A 25 133.670 -6.719 10.779 1.00 0.00 H new ATOM 0 HG23 THR A 25 132.885 -7.456 12.196 1.00 0.00 H new ATOM 393 N PHE A 26 133.826 -3.287 11.048 1.00 0.00 N ATOM 394 CA PHE A 26 135.130 -2.799 10.610 1.00 0.00 C ATOM 395 C PHE A 26 135.657 -1.695 11.519 1.00 0.00 C ATOM 396 O PHE A 26 136.763 -1.193 11.322 1.00 0.00 O ATOM 397 CB PHE A 26 135.004 -2.299 9.176 1.00 0.00 C ATOM 398 CG PHE A 26 134.837 -3.421 8.186 1.00 0.00 C ATOM 399 CD1 PHE A 26 135.935 -4.033 7.599 1.00 0.00 C ATOM 400 CD2 PHE A 26 133.571 -3.859 7.843 1.00 0.00 C ATOM 401 CE1 PHE A 26 135.769 -5.062 6.687 1.00 0.00 C ATOM 402 CE2 PHE A 26 133.395 -4.883 6.933 1.00 0.00 C ATOM 403 CZ PHE A 26 134.498 -5.490 6.350 1.00 0.00 C ATOM 0 H PHE A 26 133.046 -2.712 10.730 1.00 0.00 H new ATOM 0 HA PHE A 26 135.848 -3.617 10.661 1.00 0.00 H new ATOM 0 HB2 PHE A 26 134.150 -1.625 9.103 1.00 0.00 H new ATOM 0 HB3 PHE A 26 135.890 -1.720 8.918 1.00 0.00 H new ATOM 0 HD1 PHE A 26 136.931 -3.703 7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 26 132.707 -3.393 8.293 1.00 0.00 H new ATOM 0 HE1 PHE A 26 136.633 -5.530 6.239 1.00 0.00 H new ATOM 0 HE2 PHE A 26 132.399 -5.211 6.675 1.00 0.00 H new ATOM 0 HZ PHE A 26 134.365 -6.291 5.638 1.00 0.00 H new ATOM 413 N LEU A 27 134.867 -1.324 12.517 1.00 0.00 N ATOM 414 CA LEU A 27 135.267 -0.286 13.451 1.00 0.00 C ATOM 415 C LEU A 27 135.666 -0.884 14.797 1.00 0.00 C ATOM 416 O LEU A 27 136.482 -0.256 15.504 1.00 0.00 O ATOM 417 CB LEU A 27 134.131 0.711 13.639 1.00 0.00 C ATOM 418 CG LEU A 27 133.556 1.328 12.356 1.00 0.00 C ATOM 419 CD1 LEU A 27 133.305 2.797 12.557 1.00 0.00 C ATOM 420 CD2 LEU A 27 134.472 1.162 11.161 1.00 0.00 C ATOM 421 OXT LEU A 27 135.159 -1.975 15.132 1.00 0.00 O ATOM 0 H LEU A 27 133.948 -1.727 12.699 1.00 0.00 H new ATOM 0 HA LEU A 27 136.134 0.230 13.037 1.00 0.00 H new ATOM 0 HB2 LEU A 27 133.322 0.213 14.173 1.00 0.00 H new ATOM 0 HB3 LEU A 27 134.486 1.519 14.279 1.00 0.00 H new ATOM 0 HG LEU A 27 132.627 0.796 12.150 1.00 0.00 H new ATOM 0 HD11 LEU A 27 132.897 3.225 11.641 1.00 0.00 H new ATOM 0 HD12 LEU A 27 132.594 2.937 13.371 1.00 0.00 H new ATOM 0 HD13 LEU A 27 134.242 3.296 12.805 1.00 0.00 H new ATOM 0 HD21 LEU A 27 134.012 1.618 10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 27 135.427 1.648 11.364 1.00 0.00 H new ATOM 0 HD23 LEU A 27 134.637 0.101 10.974 1.00 0.00 H new ATOM 434 N GLY B 1 116.391 -5.187 -4.095 1.00 0.00 N ATOM 435 CA GLY B 1 117.137 -5.958 -5.127 1.00 0.00 C ATOM 436 C GLY B 1 118.479 -5.341 -5.463 1.00 0.00 C ATOM 437 O GLY B 1 119.520 -5.926 -5.168 1.00 0.00 O ATOM 0 H1 GLY B 1 115.454 -5.614 -3.953 1.00 0.00 H new ATOM 0 H2 GLY B 1 116.919 -5.205 -3.199 1.00 0.00 H new ATOM 0 H3 GLY B 1 116.278 -4.203 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY B 1 117.289 -6.978 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY B 1 116.534 -6.022 -6.033 1.00 0.00 H new ATOM 443 N TYR B 2 118.461 -4.162 -6.082 1.00 0.00 N ATOM 444 CA TYR B 2 119.695 -3.477 -6.457 1.00 0.00 C ATOM 445 C TYR B 2 119.653 -2.004 -6.034 1.00 0.00 C ATOM 446 O TYR B 2 118.643 -1.324 -6.216 1.00 0.00 O ATOM 447 CB TYR B 2 119.927 -3.590 -7.964 1.00 0.00 C ATOM 448 CG TYR B 2 120.743 -4.796 -8.384 1.00 0.00 C ATOM 449 CD1 TYR B 2 120.390 -6.081 -7.989 1.00 0.00 C ATOM 450 CD2 TYR B 2 121.865 -4.646 -9.191 1.00 0.00 C ATOM 451 CE1 TYR B 2 121.132 -7.179 -8.381 1.00 0.00 C ATOM 452 CE2 TYR B 2 122.610 -5.739 -9.589 1.00 0.00 C ATOM 453 CZ TYR B 2 122.241 -7.003 -9.180 1.00 0.00 C ATOM 454 OH TYR B 2 122.980 -8.095 -9.575 1.00 0.00 O ATOM 0 H TYR B 2 117.608 -3.663 -6.334 1.00 0.00 H new ATOM 0 HA TYR B 2 120.523 -3.957 -5.936 1.00 0.00 H new ATOM 0 HB2 TYR B 2 118.960 -3.628 -8.466 1.00 0.00 H new ATOM 0 HB3 TYR B 2 120.431 -2.687 -8.310 1.00 0.00 H new ATOM 0 HD1 TYR B 2 119.520 -6.224 -7.365 1.00 0.00 H new ATOM 0 HD2 TYR B 2 122.159 -3.658 -9.512 1.00 0.00 H new ATOM 0 HE1 TYR B 2 120.844 -8.170 -8.063 1.00 0.00 H new ATOM 0 HE2 TYR B 2 123.478 -5.604 -10.218 1.00 0.00 H new ATOM 0 HH TYR B 2 123.920 -7.835 -9.675 1.00 0.00 H new ATOM 464 N ILE B 3 120.757 -1.524 -5.459 1.00 0.00 N ATOM 465 CA ILE B 3 120.856 -0.136 -4.993 1.00 0.00 C ATOM 466 C ILE B 3 121.314 0.824 -6.069 1.00 0.00 C ATOM 467 O ILE B 3 121.956 0.432 -7.043 1.00 0.00 O ATOM 468 CB ILE B 3 121.847 0.063 -3.845 1.00 0.00 C ATOM 469 CG1 ILE B 3 123.160 -0.653 -4.120 1.00 0.00 C ATOM 470 CG2 ILE B 3 121.267 -0.368 -2.526 1.00 0.00 C ATOM 471 CD1 ILE B 3 124.161 -0.563 -2.988 1.00 0.00 C ATOM 0 H ILE B 3 121.600 -2.077 -5.304 1.00 0.00 H new ATOM 0 HA ILE B 3 119.836 0.073 -4.672 1.00 0.00 H new ATOM 0 HB ILE B 3 122.052 1.132 -3.780 1.00 0.00 H new ATOM 0 HG12 ILE B 3 122.953 -1.703 -4.325 1.00 0.00 H new ATOM 0 HG13 ILE B 3 123.608 -0.235 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE B 3 122.002 -0.211 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE B 3 120.374 0.219 -2.312 1.00 0.00 H new ATOM 0 HG23 ILE B 3 121.005 -1.425 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE B 3 125.070 -1.099 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE B 3 124.400 0.483 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE B 3 123.735 -1.009 -2.089 1.00 0.00 H new ATOM 483 N PRO B 4 121.024 2.119 -5.868 1.00 0.00 N ATOM 484 CA PRO B 4 121.435 3.164 -6.772 1.00 0.00 C ATOM 485 C PRO B 4 122.793 3.743 -6.374 1.00 0.00 C ATOM 486 O PRO B 4 123.158 3.750 -5.201 1.00 0.00 O ATOM 487 CB PRO B 4 120.314 4.183 -6.631 1.00 0.00 C ATOM 488 CG PRO B 4 119.861 4.047 -5.204 1.00 0.00 C ATOM 489 CD PRO B 4 120.307 2.679 -4.714 1.00 0.00 C ATOM 0 HA PRO B 4 121.575 2.825 -7.798 1.00 0.00 H new ATOM 0 HB2 PRO B 4 120.666 5.193 -6.841 1.00 0.00 H new ATOM 0 HB3 PRO B 4 119.501 3.978 -7.327 1.00 0.00 H new ATOM 0 HG2 PRO B 4 120.293 4.835 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO B 4 118.778 4.145 -5.134 1.00 0.00 H new ATOM 0 HD2 PRO B 4 120.953 2.757 -3.839 1.00 0.00 H new ATOM 0 HD3 PRO B 4 119.458 2.058 -4.429 1.00 0.00 H new ATOM 497 N GLU B 5 123.548 4.182 -7.380 1.00 0.00 N ATOM 498 CA GLU B 5 124.888 4.718 -7.180 1.00 0.00 C ATOM 499 C GLU B 5 124.915 5.923 -6.231 1.00 0.00 C ATOM 500 O GLU B 5 124.033 6.782 -6.249 1.00 0.00 O ATOM 501 CB GLU B 5 125.519 5.115 -8.522 1.00 0.00 C ATOM 502 CG GLU B 5 126.780 5.970 -8.380 1.00 0.00 C ATOM 503 CD GLU B 5 128.002 5.360 -9.027 1.00 0.00 C ATOM 504 OE1 GLU B 5 128.012 5.208 -10.267 1.00 0.00 O ATOM 505 OE2 GLU B 5 128.951 5.032 -8.281 1.00 0.00 O ATOM 0 H GLU B 5 123.246 4.175 -8.354 1.00 0.00 H new ATOM 0 HA GLU B 5 125.468 3.920 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU B 5 125.765 4.211 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU B 5 124.784 5.663 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU B 5 126.596 6.949 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU B 5 126.982 6.131 -7.321 1.00 0.00 H new ATOM 512 N ALA B 6 125.974 5.967 -5.435 1.00 0.00 N ATOM 513 CA ALA B 6 126.226 7.043 -4.477 1.00 0.00 C ATOM 514 C ALA B 6 126.896 8.256 -5.138 1.00 0.00 C ATOM 515 O ALA B 6 127.559 8.131 -6.169 1.00 0.00 O ATOM 516 CB ALA B 6 127.117 6.527 -3.361 1.00 0.00 C ATOM 0 H ALA B 6 126.696 5.246 -5.434 1.00 0.00 H new ATOM 0 HA ALA B 6 125.263 7.366 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA B 6 127.306 7.328 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA B 6 126.623 5.698 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA B 6 128.063 6.184 -3.780 1.00 0.00 H new ATOM 522 N PRO B 7 126.719 9.450 -4.539 1.00 0.00 N ATOM 523 CA PRO B 7 127.289 10.707 -5.041 1.00 0.00 C ATOM 524 C PRO B 7 128.760 10.596 -5.446 1.00 0.00 C ATOM 525 O PRO B 7 129.502 9.770 -4.915 1.00 0.00 O ATOM 526 CB PRO B 7 127.170 11.676 -3.854 1.00 0.00 C ATOM 527 CG PRO B 7 126.449 10.954 -2.760 1.00 0.00 C ATOM 528 CD PRO B 7 125.929 9.660 -3.320 1.00 0.00 C ATOM 0 HA PRO B 7 126.763 11.023 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO B 7 128.157 11.995 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO B 7 126.626 12.575 -4.145 1.00 0.00 H new ATOM 0 HG2 PRO B 7 127.120 10.764 -1.922 1.00 0.00 H new ATOM 0 HG3 PRO B 7 125.628 11.562 -2.379 1.00 0.00 H new ATOM 0 HD2 PRO B 7 126.060 8.840 -2.614 1.00 0.00 H new ATOM 0 HD3 PRO B 7 124.864 9.722 -3.542 1.00 0.00 H new ATOM 536 N ARG B 8 129.173 11.449 -6.387 1.00 0.00 N ATOM 537 CA ARG B 8 130.552 11.473 -6.868 1.00 0.00 C ATOM 538 C ARG B 8 131.271 12.758 -6.452 1.00 0.00 C ATOM 539 O ARG B 8 131.694 13.551 -7.295 1.00 0.00 O ATOM 540 CB ARG B 8 130.587 11.314 -8.365 1.00 0.00 C ATOM 541 CG ARG B 8 130.410 9.874 -8.780 1.00 0.00 C ATOM 542 CD ARG B 8 130.900 9.610 -10.184 1.00 0.00 C ATOM 543 NE ARG B 8 131.846 10.613 -10.678 1.00 0.00 N ATOM 544 CZ ARG B 8 131.793 11.155 -11.896 1.00 0.00 C ATOM 545 NH1 ARG B 8 130.842 10.801 -12.754 1.00 0.00 N ATOM 546 NH2 ARG B 8 132.698 12.052 -12.261 1.00 0.00 N ATOM 0 H ARG B 8 128.565 12.136 -6.832 1.00 0.00 H new ATOM 0 HA ARG B 8 131.078 10.636 -6.410 1.00 0.00 H new ATOM 0 HB2 ARG B 8 129.800 11.921 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG B 8 131.536 11.689 -8.748 1.00 0.00 H new ATOM 0 HG2 ARG B 8 130.948 9.230 -8.084 1.00 0.00 H new ATOM 0 HG3 ARG B 8 129.356 9.607 -8.711 1.00 0.00 H new ATOM 0 HD2 ARG B 8 131.375 8.630 -10.215 1.00 0.00 H new ATOM 0 HD3 ARG B 8 130.043 9.570 -10.856 1.00 0.00 H new ATOM 0 HE ARG B 8 132.592 10.916 -10.052 1.00 0.00 H new ATOM 0 HH11 ARG B 8 130.143 10.109 -12.484 1.00 0.00 H new ATOM 0 HH12 ARG B 8 130.811 11.222 -13.683 1.00 0.00 H new ATOM 0 HH21 ARG B 8 133.434 12.327 -11.611 1.00 0.00 H new ATOM 0 HH22 ARG B 8 132.658 12.467 -13.192 1.00 0.00 H new ATOM 560 N ASP B 9 131.401 12.950 -5.146 1.00 0.00 N ATOM 561 CA ASP B 9 132.065 14.131 -4.590 1.00 0.00 C ATOM 562 C ASP B 9 133.416 13.778 -3.969 1.00 0.00 C ATOM 563 O ASP B 9 133.977 14.568 -3.208 1.00 0.00 O ATOM 564 CB ASP B 9 131.193 14.776 -3.511 1.00 0.00 C ATOM 565 CG ASP B 9 130.931 13.849 -2.341 1.00 0.00 C ATOM 566 OD1 ASP B 9 130.808 12.627 -2.567 1.00 0.00 O ATOM 567 OD2 ASP B 9 130.848 14.345 -1.197 1.00 0.00 O ATOM 0 H ASP B 9 131.053 12.299 -4.443 1.00 0.00 H new ATOM 0 HA ASP B 9 132.222 14.825 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP B 9 131.679 15.682 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP B 9 130.242 15.078 -3.950 1.00 0.00 H new ATOM 572 N GLY B 10 133.933 12.597 -4.281 1.00 0.00 N ATOM 573 CA GLY B 10 135.210 12.185 -3.722 1.00 0.00 C ATOM 574 C GLY B 10 135.068 11.685 -2.308 1.00 0.00 C ATOM 575 O GLY B 10 136.058 11.550 -1.587 1.00 0.00 O ATOM 0 H GLY B 10 133.496 11.920 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY B 10 135.642 11.400 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY B 10 135.904 13.026 -3.742 1.00 0.00 H new ATOM 579 N GLN B 11 133.837 11.407 -1.901 1.00 0.00 N ATOM 580 CA GLN B 11 133.590 10.912 -0.563 1.00 0.00 C ATOM 581 C GLN B 11 133.188 9.462 -0.603 1.00 0.00 C ATOM 582 O GLN B 11 132.515 9.017 -1.532 1.00 0.00 O ATOM 583 CB GLN B 11 132.494 11.686 0.122 1.00 0.00 C ATOM 584 CG GLN B 11 132.836 13.118 0.467 1.00 0.00 C ATOM 585 CD GLN B 11 133.920 13.248 1.527 1.00 0.00 C ATOM 586 OE1 GLN B 11 134.469 12.259 2.012 1.00 0.00 O ATOM 587 NE2 GLN B 11 134.221 14.492 1.878 1.00 0.00 N ATOM 0 H GLN B 11 133.002 11.516 -2.477 1.00 0.00 H new ATOM 0 HA GLN B 11 134.518 11.033 -0.004 1.00 0.00 H new ATOM 0 HB2 GLN B 11 131.614 11.684 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN B 11 132.221 11.164 1.039 1.00 0.00 H new ATOM 0 HG2 GLN B 11 133.160 13.633 -0.437 1.00 0.00 H new ATOM 0 HG3 GLN B 11 131.936 13.624 0.816 1.00 0.00 H new ATOM 0 HE21 GLN B 11 133.734 15.276 1.444 1.00 0.00 H new ATOM 0 HE22 GLN B 11 134.939 14.664 2.582 1.00 0.00 H new ATOM 596 N ALA B 12 133.570 8.735 0.424 1.00 0.00 N ATOM 597 CA ALA B 12 133.242 7.337 0.532 1.00 0.00 C ATOM 598 C ALA B 12 131.964 7.181 1.305 1.00 0.00 C ATOM 599 O ALA B 12 131.737 7.843 2.318 1.00 0.00 O ATOM 600 CB ALA B 12 134.375 6.579 1.195 1.00 0.00 C ATOM 0 H ALA B 12 134.116 9.099 1.205 1.00 0.00 H new ATOM 0 HA ALA B 12 133.101 6.920 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA B 12 134.112 5.524 1.270 1.00 0.00 H new ATOM 0 HB2 ALA B 12 135.282 6.686 0.600 1.00 0.00 H new ATOM 0 HB3 ALA B 12 134.547 6.981 2.193 1.00 0.00 H new ATOM 606 N TYR B 13 131.123 6.320 0.796 1.00 0.00 N ATOM 607 CA TYR B 13 129.842 6.078 1.398 1.00 0.00 C ATOM 608 C TYR B 13 129.653 4.642 1.770 1.00 0.00 C ATOM 609 O TYR B 13 130.201 3.733 1.145 1.00 0.00 O ATOM 610 CB TYR B 13 128.743 6.422 0.434 1.00 0.00 C ATOM 611 CG TYR B 13 128.548 7.900 0.329 1.00 0.00 C ATOM 612 CD1 TYR B 13 127.933 8.584 1.351 1.00 0.00 C ATOM 613 CD2 TYR B 13 129.012 8.608 -0.751 1.00 0.00 C ATOM 614 CE1 TYR B 13 127.776 9.941 1.305 1.00 0.00 C ATOM 615 CE2 TYR B 13 128.869 9.981 -0.812 1.00 0.00 C ATOM 616 CZ TYR B 13 128.249 10.645 0.223 1.00 0.00 C ATOM 617 OH TYR B 13 128.102 12.012 0.172 1.00 0.00 O ATOM 0 H TYR B 13 131.307 5.770 -0.043 1.00 0.00 H new ATOM 0 HA TYR B 13 129.805 6.698 2.294 1.00 0.00 H new ATOM 0 HB2 TYR B 13 128.979 6.015 -0.549 1.00 0.00 H new ATOM 0 HB3 TYR B 13 127.814 5.954 0.758 1.00 0.00 H new ATOM 0 HD1 TYR B 13 127.566 8.038 2.208 1.00 0.00 H new ATOM 0 HD2 TYR B 13 129.495 8.086 -1.564 1.00 0.00 H new ATOM 0 HE1 TYR B 13 127.283 10.458 2.115 1.00 0.00 H new ATOM 0 HE2 TYR B 13 129.241 10.529 -1.665 1.00 0.00 H new ATOM 0 HH TYR B 13 128.492 12.352 -0.660 1.00 0.00 H new ATOM 627 N VAL B 14 128.793 4.445 2.727 1.00 0.00 N ATOM 628 CA VAL B 14 128.423 3.135 3.132 1.00 0.00 C ATOM 629 C VAL B 14 126.968 2.957 2.808 1.00 0.00 C ATOM 630 O VAL B 14 126.252 3.930 2.571 1.00 0.00 O ATOM 631 CB VAL B 14 128.738 2.840 4.597 1.00 0.00 C ATOM 632 CG1 VAL B 14 128.381 3.992 5.518 1.00 0.00 C ATOM 633 CG2 VAL B 14 128.085 1.543 5.027 1.00 0.00 C ATOM 0 H VAL B 14 128.332 5.194 3.244 1.00 0.00 H new ATOM 0 HA VAL B 14 129.022 2.407 2.585 1.00 0.00 H new ATOM 0 HB VAL B 14 129.818 2.721 4.682 1.00 0.00 H new ATOM 0 HG11 VAL B 14 128.627 3.726 6.546 1.00 0.00 H new ATOM 0 HG12 VAL B 14 128.946 4.878 5.228 1.00 0.00 H new ATOM 0 HG13 VAL B 14 127.314 4.201 5.443 1.00 0.00 H new ATOM 0 HG21 VAL B 14 128.319 1.347 6.073 1.00 0.00 H new ATOM 0 HG22 VAL B 14 127.005 1.622 4.906 1.00 0.00 H new ATOM 0 HG23 VAL B 14 128.461 0.725 4.412 1.00 0.00 H new ATOM 643 N ARG B 15 126.547 1.729 2.722 1.00 0.00 N ATOM 644 CA ARG B 15 125.190 1.447 2.337 1.00 0.00 C ATOM 645 C ARG B 15 124.365 1.069 3.562 1.00 0.00 C ATOM 646 O ARG B 15 124.590 0.051 4.213 1.00 0.00 O ATOM 647 CB ARG B 15 125.200 0.330 1.276 1.00 0.00 C ATOM 648 CG ARG B 15 124.419 0.577 -0.007 1.00 0.00 C ATOM 649 CD ARG B 15 123.119 1.300 0.195 1.00 0.00 C ATOM 650 NE ARG B 15 121.988 0.368 0.231 1.00 0.00 N ATOM 651 CZ ARG B 15 121.294 0.063 1.320 1.00 0.00 C ATOM 652 NH1 ARG B 15 121.530 0.683 2.455 1.00 0.00 N ATOM 653 NH2 ARG B 15 120.349 -0.856 1.272 1.00 0.00 N ATOM 0 H ARG B 15 127.120 0.907 2.912 1.00 0.00 H new ATOM 0 HA ARG B 15 124.725 2.331 1.902 1.00 0.00 H new ATOM 0 HB2 ARG B 15 126.237 0.131 1.006 1.00 0.00 H new ATOM 0 HB3 ARG B 15 124.811 -0.577 1.738 1.00 0.00 H new ATOM 0 HG2 ARG B 15 125.040 1.154 -0.692 1.00 0.00 H new ATOM 0 HG3 ARG B 15 124.219 -0.381 -0.488 1.00 0.00 H new ATOM 0 HD2 ARG B 15 123.156 1.865 1.126 1.00 0.00 H new ATOM 0 HD3 ARG B 15 122.973 2.021 -0.610 1.00 0.00 H new ATOM 0 HE ARG B 15 121.715 -0.078 -0.645 1.00 0.00 H new ATOM 0 HH11 ARG B 15 122.250 1.404 2.502 1.00 0.00 H new ATOM 0 HH12 ARG B 15 120.993 0.444 3.288 1.00 0.00 H new ATOM 0 HH21 ARG B 15 120.149 -1.336 0.395 1.00 0.00 H new ATOM 0 HH22 ARG B 15 119.819 -1.087 2.112 1.00 0.00 H new ATOM 667 N LYS B 16 123.398 1.951 3.852 1.00 0.00 N ATOM 668 CA LYS B 16 122.489 1.809 4.985 1.00 0.00 C ATOM 669 C LYS B 16 121.128 2.427 4.669 1.00 0.00 C ATOM 670 O LYS B 16 121.047 3.596 4.292 1.00 0.00 O ATOM 671 CB LYS B 16 123.072 2.514 6.212 1.00 0.00 C ATOM 672 CG LYS B 16 122.038 3.236 7.073 1.00 0.00 C ATOM 673 CD LYS B 16 122.691 4.193 8.051 1.00 0.00 C ATOM 674 CE LYS B 16 121.857 4.333 9.313 1.00 0.00 C ATOM 675 NZ LYS B 16 120.413 4.569 9.019 1.00 0.00 N ATOM 0 H LYS B 16 123.228 2.790 3.297 1.00 0.00 H new ATOM 0 HA LYS B 16 122.364 0.745 5.186 1.00 0.00 H new ATOM 0 HB2 LYS B 16 123.590 1.778 6.827 1.00 0.00 H new ATOM 0 HB3 LYS B 16 123.819 3.235 5.881 1.00 0.00 H new ATOM 0 HG2 LYS B 16 121.350 3.786 6.431 1.00 0.00 H new ATOM 0 HG3 LYS B 16 121.446 2.503 7.621 1.00 0.00 H new ATOM 0 HD2 LYS B 16 123.688 3.833 8.307 1.00 0.00 H new ATOM 0 HD3 LYS B 16 122.815 5.169 7.582 1.00 0.00 H new ATOM 0 HE2 LYS B 16 121.959 3.430 9.915 1.00 0.00 H new ATOM 0 HE3 LYS B 16 122.243 5.159 9.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 119.840 4.277 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 120.258 5.580 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 120.134 4.015 8.185 1.00 0.00 H new ATOM 689 N ASP B 17 120.061 1.666 4.867 1.00 0.00 N ATOM 690 CA ASP B 17 118.714 2.178 4.651 1.00 0.00 C ATOM 691 C ASP B 17 118.523 2.721 3.239 1.00 0.00 C ATOM 692 O ASP B 17 117.937 3.786 3.048 1.00 0.00 O ATOM 693 CB ASP B 17 118.403 3.267 5.676 1.00 0.00 C ATOM 694 CG ASP B 17 117.293 2.867 6.628 1.00 0.00 C ATOM 695 OD1 ASP B 17 117.277 1.695 7.061 1.00 0.00 O ATOM 696 OD2 ASP B 17 116.439 3.723 6.939 1.00 0.00 O ATOM 0 H ASP B 17 120.101 0.695 5.176 1.00 0.00 H new ATOM 0 HA ASP B 17 118.022 1.345 4.775 1.00 0.00 H new ATOM 0 HB2 ASP B 17 119.304 3.492 6.247 1.00 0.00 H new ATOM 0 HB3 ASP B 17 118.119 4.181 5.155 1.00 0.00 H new ATOM 701 N GLY B 18 118.991 1.976 2.251 1.00 0.00 N ATOM 702 CA GLY B 18 118.841 2.383 0.871 1.00 0.00 C ATOM 703 C GLY B 18 119.539 3.691 0.527 1.00 0.00 C ATOM 704 O GLY B 18 119.251 4.275 -0.518 1.00 0.00 O ATOM 0 H GLY B 18 119.476 1.089 2.382 1.00 0.00 H new ATOM 0 HA2 GLY B 18 119.232 1.595 0.227 1.00 0.00 H new ATOM 0 HA3 GLY B 18 117.779 2.481 0.646 1.00 0.00 H new ATOM 708 N GLU B 19 120.435 4.184 1.391 1.00 0.00 N ATOM 709 CA GLU B 19 121.104 5.441 1.114 1.00 0.00 C ATOM 710 C GLU B 19 122.600 5.351 1.343 1.00 0.00 C ATOM 711 O GLU B 19 123.093 4.434 1.999 1.00 0.00 O ATOM 712 CB GLU B 19 120.533 6.542 2.002 1.00 0.00 C ATOM 713 CG GLU B 19 119.243 6.168 2.717 1.00 0.00 C ATOM 714 CD GLU B 19 118.413 7.379 3.095 1.00 0.00 C ATOM 715 OE1 GLU B 19 118.799 8.089 4.047 1.00 0.00 O ATOM 716 OE2 GLU B 19 117.377 7.617 2.439 1.00 0.00 O ATOM 0 H GLU B 19 120.703 3.736 2.267 1.00 0.00 H new ATOM 0 HA GLU B 19 120.932 5.673 0.063 1.00 0.00 H new ATOM 0 HB2 GLU B 19 121.281 6.815 2.747 1.00 0.00 H new ATOM 0 HB3 GLU B 19 120.352 7.427 1.392 1.00 0.00 H new ATOM 0 HG2 GLU B 19 118.653 5.514 2.075 1.00 0.00 H new ATOM 0 HG3 GLU B 19 119.482 5.601 3.617 1.00 0.00 H new ATOM 723 N TRP B 20 123.314 6.322 0.792 1.00 0.00 N ATOM 724 CA TRP B 20 124.751 6.378 0.923 1.00 0.00 C ATOM 725 C TRP B 20 125.164 7.320 2.038 1.00 0.00 C ATOM 726 O TRP B 20 124.981 8.534 1.948 1.00 0.00 O ATOM 727 CB TRP B 20 125.394 6.766 -0.407 1.00 0.00 C ATOM 728 CG TRP B 20 125.179 5.691 -1.414 1.00 0.00 C ATOM 729 CD1 TRP B 20 124.407 5.717 -2.544 1.00 0.00 C ATOM 730 CD2 TRP B 20 125.732 4.388 -1.336 1.00 0.00 C ATOM 731 NE1 TRP B 20 124.475 4.494 -3.180 1.00 0.00 N ATOM 732 CE2 TRP B 20 125.282 3.671 -2.452 1.00 0.00 C ATOM 733 CE3 TRP B 20 126.578 3.760 -0.425 1.00 0.00 C ATOM 734 CZ2 TRP B 20 125.648 2.361 -2.678 1.00 0.00 C ATOM 735 CZ3 TRP B 20 126.933 2.459 -0.650 1.00 0.00 C ATOM 736 CH2 TRP B 20 126.471 1.772 -1.773 1.00 0.00 C ATOM 0 H TRP B 20 122.912 7.084 0.247 1.00 0.00 H new ATOM 0 HA TRP B 20 125.110 5.384 1.192 1.00 0.00 H new ATOM 0 HB2 TRP B 20 124.967 7.702 -0.767 1.00 0.00 H new ATOM 0 HB3 TRP B 20 126.462 6.936 -0.268 1.00 0.00 H new ATOM 0 HD1 TRP B 20 123.832 6.565 -2.886 1.00 0.00 H new ATOM 0 HE1 TRP B 20 124.001 4.247 -4.049 1.00 0.00 H new ATOM 0 HE3 TRP B 20 126.946 4.290 0.441 1.00 0.00 H new ATOM 0 HZ2 TRP B 20 125.293 1.823 -3.544 1.00 0.00 H new ATOM 0 HZ3 TRP B 20 127.581 1.955 0.052 1.00 0.00 H new ATOM 0 HH2 TRP B 20 126.775 0.747 -1.926 1.00 0.00 H new ATOM 747 N VAL B 21 125.737 6.743 3.087 1.00 0.00 N ATOM 748 CA VAL B 21 126.198 7.521 4.227 1.00 0.00 C ATOM 749 C VAL B 21 127.696 7.568 4.254 1.00 0.00 C ATOM 750 O VAL B 21 128.380 6.587 3.987 1.00 0.00 O ATOM 751 CB VAL B 21 125.750 6.968 5.590 1.00 0.00 C ATOM 752 CG1 VAL B 21 125.981 8.014 6.668 1.00 0.00 C ATOM 753 CG2 VAL B 21 124.297 6.520 5.617 1.00 0.00 C ATOM 0 H VAL B 21 125.893 5.738 3.171 1.00 0.00 H new ATOM 0 HA VAL B 21 125.752 8.506 4.089 1.00 0.00 H new ATOM 0 HB VAL B 21 126.354 6.080 5.778 1.00 0.00 H new ATOM 0 HG11 VAL B 21 125.662 7.619 7.633 1.00 0.00 H new ATOM 0 HG12 VAL B 21 127.041 8.265 6.711 1.00 0.00 H new ATOM 0 HG13 VAL B 21 125.406 8.910 6.435 1.00 0.00 H new ATOM 0 HG21 VAL B 21 124.051 6.142 6.609 1.00 0.00 H new ATOM 0 HG22 VAL B 21 123.651 7.366 5.381 1.00 0.00 H new ATOM 0 HG23 VAL B 21 124.146 5.731 4.880 1.00 0.00 H new ATOM 763 N LEU B 22 128.190 8.729 4.576 1.00 0.00 N ATOM 764 CA LEU B 22 129.603 8.960 4.653 1.00 0.00 C ATOM 765 C LEU B 22 130.290 7.984 5.591 1.00 0.00 C ATOM 766 O LEU B 22 129.934 7.856 6.761 1.00 0.00 O ATOM 767 CB LEU B 22 129.838 10.389 5.063 1.00 0.00 C ATOM 768 CG LEU B 22 130.324 11.279 3.925 1.00 0.00 C ATOM 769 CD1 LEU B 22 130.819 12.592 4.459 1.00 0.00 C ATOM 770 CD2 LEU B 22 131.424 10.594 3.135 1.00 0.00 C ATOM 0 H LEU B 22 127.620 9.546 4.794 1.00 0.00 H new ATOM 0 HA LEU B 22 130.045 8.789 3.671 1.00 0.00 H new ATOM 0 HB2 LEU B 22 128.912 10.800 5.464 1.00 0.00 H new ATOM 0 HB3 LEU B 22 130.572 10.411 5.869 1.00 0.00 H new ATOM 0 HG LEU B 22 129.481 11.463 3.259 1.00 0.00 H new ATOM 0 HD11 LEU B 22 131.162 13.215 3.633 1.00 0.00 H new ATOM 0 HD12 LEU B 22 130.010 13.099 4.984 1.00 0.00 H new ATOM 0 HD13 LEU B 22 131.645 12.416 5.148 1.00 0.00 H new ATOM 0 HD21 LEU B 22 131.754 11.249 2.329 1.00 0.00 H new ATOM 0 HD22 LEU B 22 132.265 10.378 3.794 1.00 0.00 H new ATOM 0 HD23 LEU B 22 131.044 9.663 2.714 1.00 0.00 H new ATOM 782 N LEU B 23 131.289 7.309 5.053 1.00 0.00 N ATOM 783 CA LEU B 23 132.073 6.339 5.800 1.00 0.00 C ATOM 784 C LEU B 23 132.702 6.987 7.013 1.00 0.00 C ATOM 785 O LEU B 23 132.786 6.394 8.088 1.00 0.00 O ATOM 786 CB LEU B 23 133.174 5.805 4.895 1.00 0.00 C ATOM 787 CG LEU B 23 134.303 4.999 5.568 1.00 0.00 C ATOM 788 CD1 LEU B 23 133.785 4.040 6.616 1.00 0.00 C ATOM 789 CD2 LEU B 23 135.090 4.218 4.541 1.00 0.00 C ATOM 0 H LEU B 23 131.582 7.418 4.082 1.00 0.00 H new ATOM 0 HA LEU B 23 131.422 5.531 6.132 1.00 0.00 H new ATOM 0 HB2 LEU B 23 132.712 5.173 4.136 1.00 0.00 H new ATOM 0 HB3 LEU B 23 133.625 6.650 4.375 1.00 0.00 H new ATOM 0 HG LEU B 23 134.947 5.729 6.059 1.00 0.00 H new ATOM 0 HD11 LEU B 23 134.621 3.498 7.058 1.00 0.00 H new ATOM 0 HD12 LEU B 23 133.262 4.598 7.393 1.00 0.00 H new ATOM 0 HD13 LEU B 23 133.098 3.332 6.153 1.00 0.00 H new ATOM 0 HD21 LEU B 23 135.881 3.657 5.038 1.00 0.00 H new ATOM 0 HD22 LEU B 23 134.426 3.527 4.022 1.00 0.00 H new ATOM 0 HD23 LEU B 23 135.531 4.906 3.820 1.00 0.00 H new ATOM 801 N SER B 24 133.159 8.207 6.826 1.00 0.00 N ATOM 802 CA SER B 24 133.810 8.944 7.898 1.00 0.00 C ATOM 803 C SER B 24 132.841 9.194 9.045 1.00 0.00 C ATOM 804 O SER B 24 133.267 9.457 10.169 1.00 0.00 O ATOM 805 CB SER B 24 134.356 10.276 7.380 1.00 0.00 C ATOM 806 OG SER B 24 135.091 10.954 8.384 1.00 0.00 O ATOM 0 H SER B 24 133.094 8.713 5.943 1.00 0.00 H new ATOM 0 HA SER B 24 134.640 8.341 8.266 1.00 0.00 H new ATOM 0 HB2 SER B 24 134.995 10.098 6.515 1.00 0.00 H new ATOM 0 HB3 SER B 24 133.531 10.904 7.043 1.00 0.00 H new ATOM 0 HG SER B 24 134.793 10.652 9.268 1.00 0.00 H new ATOM 812 N THR B 25 131.544 9.056 8.785 1.00 0.00 N ATOM 813 CA THR B 25 130.568 9.216 9.849 1.00 0.00 C ATOM 814 C THR B 25 130.681 8.028 10.805 1.00 0.00 C ATOM 815 O THR B 25 130.236 8.083 11.951 1.00 0.00 O ATOM 816 CB THR B 25 129.141 9.315 9.295 1.00 0.00 C ATOM 817 OG1 THR B 25 128.949 10.551 8.631 1.00 0.00 O ATOM 818 CG2 THR B 25 128.057 9.193 10.347 1.00 0.00 C ATOM 0 H THR B 25 131.154 8.839 7.868 1.00 0.00 H new ATOM 0 HA THR B 25 130.777 10.146 10.378 1.00 0.00 H new ATOM 0 HB THR B 25 129.049 8.469 8.614 1.00 0.00 H new ATOM 0 HG1 THR B 25 128.034 10.596 8.282 1.00 0.00 H new ATOM 0 HG21 THR B 25 127.079 9.274 9.873 1.00 0.00 H new ATOM 0 HG22 THR B 25 128.140 8.227 10.845 1.00 0.00 H new ATOM 0 HG23 THR B 25 128.171 9.991 11.081 1.00 0.00 H new ATOM 826 N PHE B 26 131.275 6.947 10.292 1.00 0.00 N ATOM 827 CA PHE B 26 131.460 5.713 11.041 1.00 0.00 C ATOM 828 C PHE B 26 132.842 5.634 11.650 1.00 0.00 C ATOM 829 O PHE B 26 133.065 4.866 12.567 1.00 0.00 O ATOM 830 CB PHE B 26 131.205 4.514 10.123 1.00 0.00 C ATOM 831 CG PHE B 26 129.749 4.397 9.758 1.00 0.00 C ATOM 832 CD1 PHE B 26 129.257 5.050 8.641 1.00 0.00 C ATOM 833 CD2 PHE B 26 128.870 3.664 10.541 1.00 0.00 C ATOM 834 CE1 PHE B 26 127.918 4.980 8.308 1.00 0.00 C ATOM 835 CE2 PHE B 26 127.527 3.583 10.214 1.00 0.00 C ATOM 836 CZ PHE B 26 127.045 4.243 9.098 1.00 0.00 C ATOM 0 H PHE B 26 131.641 6.909 9.341 1.00 0.00 H new ATOM 0 HA PHE B 26 130.744 5.698 11.863 1.00 0.00 H new ATOM 0 HB2 PHE B 26 131.801 4.616 9.216 1.00 0.00 H new ATOM 0 HB3 PHE B 26 131.531 3.600 10.618 1.00 0.00 H new ATOM 0 HD1 PHE B 26 129.930 5.623 8.020 1.00 0.00 H new ATOM 0 HD2 PHE B 26 129.238 3.150 11.417 1.00 0.00 H new ATOM 0 HE1 PHE B 26 127.550 5.498 7.434 1.00 0.00 H new ATOM 0 HE2 PHE B 26 126.855 3.004 10.831 1.00 0.00 H new ATOM 0 HZ PHE B 26 125.997 4.186 8.843 1.00 0.00 H new ATOM 846 N LEU B 27 133.762 6.462 11.197 1.00 0.00 N ATOM 847 CA LEU B 27 135.101 6.456 11.748 1.00 0.00 C ATOM 848 C LEU B 27 135.259 7.538 12.812 1.00 0.00 C ATOM 849 O LEU B 27 135.607 7.190 13.959 1.00 0.00 O ATOM 850 CB LEU B 27 136.102 6.685 10.625 1.00 0.00 C ATOM 851 CG LEU B 27 136.448 5.473 9.744 1.00 0.00 C ATOM 852 CD1 LEU B 27 135.388 4.386 9.768 1.00 0.00 C ATOM 853 CD2 LEU B 27 136.790 5.957 8.362 1.00 0.00 C ATOM 854 OXT LEU B 27 135.035 8.723 12.488 1.00 0.00 O ATOM 0 H LEU B 27 133.608 7.143 10.454 1.00 0.00 H new ATOM 0 HA LEU B 27 135.284 5.490 12.219 1.00 0.00 H new ATOM 0 HB2 LEU B 27 135.714 7.473 9.980 1.00 0.00 H new ATOM 0 HB3 LEU B 27 137.026 7.059 11.065 1.00 0.00 H new ATOM 0 HG LEU B 27 137.324 4.976 10.160 1.00 0.00 H new ATOM 0 HD11 LEU B 27 135.697 3.562 9.125 1.00 0.00 H new ATOM 0 HD12 LEU B 27 135.262 4.023 10.788 1.00 0.00 H new ATOM 0 HD13 LEU B 27 134.443 4.792 9.408 1.00 0.00 H new ATOM 0 HD21 LEU B 27 137.037 5.105 7.729 1.00 0.00 H new ATOM 0 HD22 LEU B 27 135.936 6.487 7.940 1.00 0.00 H new ATOM 0 HD23 LEU B 27 137.645 6.631 8.414 1.00 0.00 H new ATOM 867 N GLY C 1 120.628 4.238 -12.624 1.00 0.00 N ATOM 868 CA GLY C 1 121.518 5.054 -11.751 1.00 0.00 C ATOM 869 C GLY C 1 122.112 4.249 -10.619 1.00 0.00 C ATOM 870 O GLY C 1 122.352 4.777 -9.535 1.00 0.00 O ATOM 0 H1 GLY C 1 120.103 4.865 -13.267 1.00 0.00 H new ATOM 0 H2 GLY C 1 121.202 3.574 -13.181 1.00 0.00 H new ATOM 0 H3 GLY C 1 119.957 3.705 -12.034 1.00 0.00 H new ATOM 0 HA2 GLY C 1 122.322 5.478 -12.352 1.00 0.00 H new ATOM 0 HA3 GLY C 1 120.952 5.890 -11.340 1.00 0.00 H new ATOM 876 N TYR C 2 122.347 2.966 -10.871 1.00 0.00 N ATOM 877 CA TYR C 2 122.918 2.085 -9.856 1.00 0.00 C ATOM 878 C TYR C 2 124.429 1.920 -10.041 1.00 0.00 C ATOM 879 O TYR C 2 124.965 2.179 -11.119 1.00 0.00 O ATOM 880 CB TYR C 2 122.242 0.714 -9.874 1.00 0.00 C ATOM 881 CG TYR C 2 120.777 0.697 -9.476 1.00 0.00 C ATOM 882 CD1 TYR C 2 120.034 1.865 -9.332 1.00 0.00 C ATOM 883 CD2 TYR C 2 120.135 -0.512 -9.254 1.00 0.00 C ATOM 884 CE1 TYR C 2 118.698 1.823 -8.975 1.00 0.00 C ATOM 885 CE2 TYR C 2 118.801 -0.564 -8.899 1.00 0.00 C ATOM 886 CZ TYR C 2 118.087 0.605 -8.761 1.00 0.00 C ATOM 887 OH TYR C 2 116.758 0.558 -8.408 1.00 0.00 O ATOM 0 H TYR C 2 122.153 2.514 -11.764 1.00 0.00 H new ATOM 0 HA TYR C 2 122.738 2.554 -8.889 1.00 0.00 H new ATOM 0 HB2 TYR C 2 122.332 0.298 -10.878 1.00 0.00 H new ATOM 0 HB3 TYR C 2 122.789 0.051 -9.204 1.00 0.00 H new ATOM 0 HD1 TYR C 2 120.508 2.820 -9.502 1.00 0.00 H new ATOM 0 HD2 TYR C 2 120.690 -1.432 -9.361 1.00 0.00 H new ATOM 0 HE1 TYR C 2 118.137 2.739 -8.864 1.00 0.00 H new ATOM 0 HE2 TYR C 2 118.321 -1.517 -8.731 1.00 0.00 H new ATOM 0 HH TYR C 2 116.482 -0.376 -8.296 1.00 0.00 H new ATOM 897 N ILE C 3 125.106 1.475 -8.982 1.00 0.00 N ATOM 898 CA ILE C 3 126.557 1.254 -9.020 1.00 0.00 C ATOM 899 C ILE C 3 126.899 -0.156 -9.453 1.00 0.00 C ATOM 900 O ILE C 3 126.089 -1.073 -9.319 1.00 0.00 O ATOM 901 CB ILE C 3 127.254 1.441 -7.663 1.00 0.00 C ATOM 902 CG1 ILE C 3 126.394 0.925 -6.520 1.00 0.00 C ATOM 903 CG2 ILE C 3 127.647 2.879 -7.423 1.00 0.00 C ATOM 904 CD1 ILE C 3 126.976 1.191 -5.150 1.00 0.00 C ATOM 0 H ILE C 3 124.674 1.259 -8.084 1.00 0.00 H new ATOM 0 HA ILE C 3 126.908 2.004 -9.729 1.00 0.00 H new ATOM 0 HB ILE C 3 128.168 0.849 -7.696 1.00 0.00 H new ATOM 0 HG12 ILE C 3 125.409 1.387 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE C 3 126.251 -0.149 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE C 3 128.136 2.965 -6.453 1.00 0.00 H new ATOM 0 HG22 ILE C 3 128.333 3.204 -8.205 1.00 0.00 H new ATOM 0 HG23 ILE C 3 126.756 3.507 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE C 3 126.306 0.794 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE C 3 127.949 0.706 -5.067 1.00 0.00 H new ATOM 0 HD13 ILE C 3 127.093 2.265 -5.007 1.00 0.00 H new ATOM 916 N PRO C 4 128.126 -0.357 -9.950 1.00 0.00 N ATOM 917 CA PRO C 4 128.588 -1.656 -10.364 1.00 0.00 C ATOM 918 C PRO C 4 129.268 -2.419 -9.227 1.00 0.00 C ATOM 919 O PRO C 4 129.772 -1.829 -8.280 1.00 0.00 O ATOM 920 CB PRO C 4 129.560 -1.335 -11.497 1.00 0.00 C ATOM 921 CG PRO C 4 130.027 0.074 -11.240 1.00 0.00 C ATOM 922 CD PRO C 4 129.170 0.654 -10.132 1.00 0.00 C ATOM 0 HA PRO C 4 127.775 -2.312 -10.673 1.00 0.00 H new ATOM 0 HB2 PRO C 4 130.399 -2.031 -11.504 1.00 0.00 H new ATOM 0 HB3 PRO C 4 129.071 -1.415 -12.468 1.00 0.00 H new ATOM 0 HG2 PRO C 4 131.078 0.081 -10.953 1.00 0.00 H new ATOM 0 HG3 PRO C 4 129.940 0.676 -12.145 1.00 0.00 H new ATOM 0 HD2 PRO C 4 129.744 0.809 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO C 4 128.750 1.620 -10.412 1.00 0.00 H new ATOM 930 N GLU C 5 129.231 -3.746 -9.338 1.00 0.00 N ATOM 931 CA GLU C 5 129.790 -4.660 -8.344 1.00 0.00 C ATOM 932 C GLU C 5 131.282 -4.424 -8.089 1.00 0.00 C ATOM 933 O GLU C 5 132.061 -4.134 -8.996 1.00 0.00 O ATOM 934 CB GLU C 5 129.550 -6.094 -8.812 1.00 0.00 C ATOM 935 CG GLU C 5 130.224 -7.154 -7.964 1.00 0.00 C ATOM 936 CD GLU C 5 129.265 -7.833 -7.009 1.00 0.00 C ATOM 937 OE1 GLU C 5 128.464 -8.675 -7.468 1.00 0.00 O ATOM 938 OE2 GLU C 5 129.316 -7.523 -5.803 1.00 0.00 O ATOM 0 H GLU C 5 128.805 -4.223 -10.133 1.00 0.00 H new ATOM 0 HA GLU C 5 129.287 -4.475 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU C 5 128.477 -6.284 -8.823 1.00 0.00 H new ATOM 0 HB3 GLU C 5 129.902 -6.191 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU C 5 130.674 -7.903 -8.615 1.00 0.00 H new ATOM 0 HG3 GLU C 5 131.035 -6.698 -7.396 1.00 0.00 H new ATOM 945 N ALA C 6 131.636 -4.576 -6.822 1.00 0.00 N ATOM 946 CA ALA C 6 132.997 -4.422 -6.321 1.00 0.00 C ATOM 947 C ALA C 6 133.760 -5.755 -6.390 1.00 0.00 C ATOM 948 O ALA C 6 133.152 -6.817 -6.521 1.00 0.00 O ATOM 949 CB ALA C 6 132.965 -3.908 -4.877 1.00 0.00 C ATOM 0 H ALA C 6 130.966 -4.817 -6.091 1.00 0.00 H new ATOM 0 HA ALA C 6 133.517 -3.699 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA C 6 133.985 -3.795 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA C 6 132.459 -2.943 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA C 6 132.429 -4.620 -4.249 1.00 0.00 H new ATOM 955 N PRO C 7 135.103 -5.712 -6.303 1.00 0.00 N ATOM 956 CA PRO C 7 135.952 -6.917 -6.355 1.00 0.00 C ATOM 957 C PRO C 7 135.612 -7.951 -5.278 1.00 0.00 C ATOM 958 O PRO C 7 135.122 -7.605 -4.203 1.00 0.00 O ATOM 959 CB PRO C 7 137.365 -6.375 -6.108 1.00 0.00 C ATOM 960 CG PRO C 7 137.302 -4.926 -6.448 1.00 0.00 C ATOM 961 CD PRO C 7 135.898 -4.481 -6.149 1.00 0.00 C ATOM 0 HA PRO C 7 135.822 -7.439 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO C 7 137.666 -6.522 -5.071 1.00 0.00 H new ATOM 0 HB3 PRO C 7 138.097 -6.892 -6.728 1.00 0.00 H new ATOM 0 HG2 PRO C 7 138.023 -4.358 -5.861 1.00 0.00 H new ATOM 0 HG3 PRO C 7 137.546 -4.762 -7.498 1.00 0.00 H new ATOM 0 HD2 PRO C 7 135.813 -4.072 -5.142 1.00 0.00 H new ATOM 0 HD3 PRO C 7 135.569 -3.703 -6.838 1.00 0.00 H new ATOM 969 N ARG C 8 135.888 -9.226 -5.574 1.00 0.00 N ATOM 970 CA ARG C 8 135.629 -10.320 -4.636 1.00 0.00 C ATOM 971 C ARG C 8 136.931 -10.930 -4.132 1.00 0.00 C ATOM 972 O ARG C 8 137.254 -12.081 -4.433 1.00 0.00 O ATOM 973 CB ARG C 8 134.787 -11.396 -5.292 1.00 0.00 C ATOM 974 CG ARG C 8 133.302 -11.085 -5.322 1.00 0.00 C ATOM 975 CD ARG C 8 132.879 -10.516 -6.659 1.00 0.00 C ATOM 976 NE ARG C 8 132.537 -11.565 -7.620 1.00 0.00 N ATOM 977 CZ ARG C 8 133.386 -12.065 -8.518 1.00 0.00 C ATOM 978 NH1 ARG C 8 134.627 -11.600 -8.612 1.00 0.00 N ATOM 979 NH2 ARG C 8 132.989 -13.032 -9.334 1.00 0.00 N ATOM 0 H ARG C 8 136.293 -9.525 -6.461 1.00 0.00 H new ATOM 0 HA ARG C 8 135.085 -9.905 -3.787 1.00 0.00 H new ATOM 0 HB2 ARG C 8 135.137 -11.545 -6.313 1.00 0.00 H new ATOM 0 HB3 ARG C 8 134.940 -12.336 -4.762 1.00 0.00 H new ATOM 0 HG2 ARG C 8 132.735 -11.993 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG C 8 133.062 -10.374 -4.531 1.00 0.00 H new ATOM 0 HD2 ARG C 8 132.020 -9.860 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG C 8 133.685 -9.903 -7.063 1.00 0.00 H new ATOM 0 HE ARG C 8 131.588 -11.938 -7.602 1.00 0.00 H new ATOM 0 HH11 ARG C 8 134.940 -10.852 -7.993 1.00 0.00 H new ATOM 0 HH12 ARG C 8 135.267 -11.991 -9.303 1.00 0.00 H new ATOM 0 HH21 ARG C 8 132.036 -13.391 -9.274 1.00 0.00 H new ATOM 0 HH22 ARG C 8 133.636 -13.417 -10.022 1.00 0.00 H new ATOM 993 N ASP C 9 137.665 -10.154 -3.358 1.00 0.00 N ATOM 994 CA ASP C 9 138.932 -10.605 -2.791 1.00 0.00 C ATOM 995 C ASP C 9 138.868 -10.647 -1.266 1.00 0.00 C ATOM 996 O ASP C 9 139.895 -10.773 -0.598 1.00 0.00 O ATOM 997 CB ASP C 9 140.076 -9.685 -3.204 1.00 0.00 C ATOM 998 CG ASP C 9 139.747 -8.225 -2.979 1.00 0.00 C ATOM 999 OD1 ASP C 9 139.158 -7.909 -1.927 1.00 0.00 O ATOM 1000 OD2 ASP C 9 140.075 -7.399 -3.856 1.00 0.00 O ATOM 0 H ASP C 9 137.408 -9.201 -3.103 1.00 0.00 H new ATOM 0 HA ASP C 9 139.113 -11.608 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP C 9 140.971 -9.945 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP C 9 140.306 -9.845 -4.257 1.00 0.00 H new ATOM 1005 N GLY C 10 137.663 -10.545 -0.719 1.00 0.00 N ATOM 1006 CA GLY C 10 137.502 -10.580 0.723 1.00 0.00 C ATOM 1007 C GLY C 10 137.716 -9.235 1.379 1.00 0.00 C ATOM 1008 O GLY C 10 137.867 -9.159 2.599 1.00 0.00 O ATOM 0 H GLY C 10 136.796 -10.439 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY C 10 136.501 -10.938 0.962 1.00 0.00 H new ATOM 0 HA3 GLY C 10 138.206 -11.298 1.143 1.00 0.00 H new ATOM 1012 N GLN C 11 137.718 -8.166 0.589 1.00 0.00 N ATOM 1013 CA GLN C 11 137.897 -6.835 1.149 1.00 0.00 C ATOM 1014 C GLN C 11 136.624 -6.033 1.047 1.00 0.00 C ATOM 1015 O GLN C 11 135.825 -6.210 0.129 1.00 0.00 O ATOM 1016 CB GLN C 11 139.003 -6.069 0.458 1.00 0.00 C ATOM 1017 CG GLN C 11 140.375 -6.224 1.095 1.00 0.00 C ATOM 1018 CD GLN C 11 141.495 -5.946 0.094 1.00 0.00 C ATOM 1019 OE1 GLN C 11 141.303 -5.166 -0.839 1.00 0.00 O ATOM 1020 NE2 GLN C 11 142.671 -6.568 0.256 1.00 0.00 N ATOM 0 H GLN C 11 137.600 -8.195 -0.424 1.00 0.00 H new ATOM 0 HA GLN C 11 138.168 -6.977 2.195 1.00 0.00 H new ATOM 0 HB2 GLN C 11 139.060 -6.396 -0.580 1.00 0.00 H new ATOM 0 HB3 GLN C 11 138.741 -5.011 0.445 1.00 0.00 H new ATOM 0 HG2 GLN C 11 140.464 -5.541 1.940 1.00 0.00 H new ATOM 0 HG3 GLN C 11 140.481 -7.235 1.489 1.00 0.00 H new ATOM 0 HE21 GLN C 11 142.805 -7.210 1.037 1.00 0.00 H new ATOM 0 HE22 GLN C 11 143.432 -6.400 -0.402 1.00 0.00 H new ATOM 1029 N ALA C 12 136.465 -5.133 1.991 1.00 0.00 N ATOM 1030 CA ALA C 12 135.310 -4.266 2.042 1.00 0.00 C ATOM 1031 C ALA C 12 135.589 -2.974 1.321 1.00 0.00 C ATOM 1032 O ALA C 12 136.664 -2.387 1.445 1.00 0.00 O ATOM 1033 CB ALA C 12 134.897 -4.007 3.483 1.00 0.00 C ATOM 0 H ALA C 12 137.134 -4.982 2.746 1.00 0.00 H new ATOM 0 HA ALA C 12 134.481 -4.764 1.539 1.00 0.00 H new ATOM 0 HB1 ALA C 12 134.026 -3.352 3.500 1.00 0.00 H new ATOM 0 HB2 ALA C 12 134.650 -4.952 3.966 1.00 0.00 H new ATOM 0 HB3 ALA C 12 135.719 -3.531 4.017 1.00 0.00 H new ATOM 1039 N TYR C 13 134.614 -2.553 0.555 1.00 0.00 N ATOM 1040 CA TYR C 13 134.720 -1.344 -0.221 1.00 0.00 C ATOM 1041 C TYR C 13 133.669 -0.345 0.188 1.00 0.00 C ATOM 1042 O TYR C 13 132.612 -0.684 0.718 1.00 0.00 O ATOM 1043 CB TYR C 13 134.554 -1.654 -1.687 1.00 0.00 C ATOM 1044 CG TYR C 13 135.764 -2.318 -2.251 1.00 0.00 C ATOM 1045 CD1 TYR C 13 136.887 -1.575 -2.508 1.00 0.00 C ATOM 1046 CD2 TYR C 13 135.797 -3.667 -2.489 1.00 0.00 C ATOM 1047 CE1 TYR C 13 138.026 -2.153 -2.994 1.00 0.00 C ATOM 1048 CE2 TYR C 13 136.938 -4.272 -2.976 1.00 0.00 C ATOM 1049 CZ TYR C 13 138.056 -3.508 -3.227 1.00 0.00 C ATOM 1050 OH TYR C 13 139.199 -4.100 -3.715 1.00 0.00 O ATOM 0 H TYR C 13 133.724 -3.040 0.452 1.00 0.00 H new ATOM 0 HA TYR C 13 135.706 -0.917 -0.039 1.00 0.00 H new ATOM 0 HB2 TYR C 13 133.687 -2.299 -1.827 1.00 0.00 H new ATOM 0 HB3 TYR C 13 134.357 -0.732 -2.234 1.00 0.00 H new ATOM 0 HD1 TYR C 13 136.871 -0.511 -2.323 1.00 0.00 H new ATOM 0 HD2 TYR C 13 134.919 -4.265 -2.293 1.00 0.00 H new ATOM 0 HE1 TYR C 13 138.898 -1.549 -3.194 1.00 0.00 H new ATOM 0 HE2 TYR C 13 136.954 -5.336 -3.159 1.00 0.00 H new ATOM 0 HH TYR C 13 139.049 -5.063 -3.821 1.00 0.00 H new ATOM 1060 N VAL C 14 133.991 0.880 -0.087 1.00 0.00 N ATOM 1061 CA VAL C 14 133.154 2.010 0.190 1.00 0.00 C ATOM 1062 C VAL C 14 132.788 2.592 -1.148 1.00 0.00 C ATOM 1063 O VAL C 14 133.470 2.327 -2.141 1.00 0.00 O ATOM 1064 CB VAL C 14 133.963 2.996 1.041 1.00 0.00 C ATOM 1065 CG1 VAL C 14 133.145 3.707 2.105 1.00 0.00 C ATOM 1066 CG2 VAL C 14 135.119 2.221 1.670 1.00 0.00 C ATOM 0 H VAL C 14 134.876 1.132 -0.527 1.00 0.00 H new ATOM 0 HA VAL C 14 132.248 1.758 0.741 1.00 0.00 H new ATOM 0 HB VAL C 14 134.324 3.793 0.390 1.00 0.00 H new ATOM 0 HG11 VAL C 14 133.788 4.387 2.664 1.00 0.00 H new ATOM 0 HG12 VAL C 14 132.344 4.273 1.630 1.00 0.00 H new ATOM 0 HG13 VAL C 14 132.715 2.972 2.785 1.00 0.00 H new ATOM 0 HG21 VAL C 14 135.717 2.894 2.284 1.00 0.00 H new ATOM 0 HG22 VAL C 14 134.723 1.418 2.292 1.00 0.00 H new ATOM 0 HG23 VAL C 14 135.743 1.797 0.884 1.00 0.00 H new ATOM 1076 N ARG C 15 131.702 3.318 -1.221 1.00 0.00 N ATOM 1077 CA ARG C 15 131.275 3.831 -2.497 1.00 0.00 C ATOM 1078 C ARG C 15 131.556 5.326 -2.604 1.00 0.00 C ATOM 1079 O ARG C 15 131.017 6.147 -1.861 1.00 0.00 O ATOM 1080 CB ARG C 15 129.798 3.453 -2.710 1.00 0.00 C ATOM 1081 CG ARG C 15 129.440 2.811 -4.037 1.00 0.00 C ATOM 1082 CD ARG C 15 130.491 2.975 -5.115 1.00 0.00 C ATOM 1083 NE ARG C 15 130.778 4.376 -5.451 1.00 0.00 N ATOM 1084 CZ ARG C 15 129.868 5.320 -5.655 1.00 0.00 C ATOM 1085 NH1 ARG C 15 128.595 5.038 -5.709 1.00 0.00 N ATOM 1086 NH2 ARG C 15 130.246 6.571 -5.822 1.00 0.00 N ATOM 0 H ARG C 15 131.108 3.564 -0.429 1.00 0.00 H new ATOM 0 HA ARG C 15 131.847 3.378 -3.307 1.00 0.00 H new ATOM 0 HB2 ARG C 15 129.504 2.771 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG C 15 129.197 4.355 -2.596 1.00 0.00 H new ATOM 0 HG2 ARG C 15 129.265 1.747 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG C 15 128.503 3.239 -4.392 1.00 0.00 H new ATOM 0 HD2 ARG C 15 131.412 2.493 -4.788 1.00 0.00 H new ATOM 0 HD3 ARG C 15 130.161 2.455 -6.014 1.00 0.00 H new ATOM 0 HE ARG C 15 131.758 4.646 -5.534 1.00 0.00 H new ATOM 0 HH11 ARG C 15 128.281 4.075 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG C 15 127.914 5.781 -5.867 1.00 0.00 H new ATOM 0 HH21 ARG C 15 131.237 6.812 -5.794 1.00 0.00 H new ATOM 0 HH22 ARG C 15 129.548 7.298 -5.979 1.00 0.00 H new ATOM 1100 N LYS C 16 132.456 5.640 -3.551 1.00 0.00 N ATOM 1101 CA LYS C 16 132.909 7.007 -3.816 1.00 0.00 C ATOM 1102 C LYS C 16 133.373 7.168 -5.261 1.00 0.00 C ATOM 1103 O LYS C 16 134.171 6.371 -5.754 1.00 0.00 O ATOM 1104 CB LYS C 16 134.093 7.362 -2.904 1.00 0.00 C ATOM 1105 CG LYS C 16 135.458 7.233 -3.581 1.00 0.00 C ATOM 1106 CD LYS C 16 136.585 7.702 -2.671 1.00 0.00 C ATOM 1107 CE LYS C 16 136.893 9.160 -2.893 1.00 0.00 C ATOM 1108 NZ LYS C 16 137.023 9.481 -4.343 1.00 0.00 N ATOM 0 H LYS C 16 132.890 4.943 -4.156 1.00 0.00 H new ATOM 0 HA LYS C 16 132.063 7.667 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS C 16 133.970 8.385 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS C 16 134.071 6.714 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS C 16 135.627 6.194 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS C 16 135.465 7.819 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS C 16 136.306 7.541 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS C 16 137.479 7.106 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS C 16 136.103 9.770 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS C 16 137.818 9.419 -2.378 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 137.624 10.322 -4.460 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 137.455 8.676 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 136.082 9.670 -4.743 1.00 0.00 H new ATOM 1122 N ASP C 17 132.925 8.224 -5.919 1.00 0.00 N ATOM 1123 CA ASP C 17 133.364 8.506 -7.276 1.00 0.00 C ATOM 1124 C ASP C 17 133.130 7.332 -8.227 1.00 0.00 C ATOM 1125 O ASP C 17 133.997 6.995 -9.034 1.00 0.00 O ATOM 1126 CB ASP C 17 134.847 8.876 -7.260 1.00 0.00 C ATOM 1127 CG ASP C 17 135.081 10.340 -7.580 1.00 0.00 C ATOM 1128 OD1 ASP C 17 134.434 11.198 -6.944 1.00 0.00 O ATOM 1129 OD2 ASP C 17 135.911 10.628 -8.469 1.00 0.00 O ATOM 0 H ASP C 17 132.261 8.898 -5.538 1.00 0.00 H new ATOM 0 HA ASP C 17 132.768 9.339 -7.648 1.00 0.00 H new ATOM 0 HB2 ASP C 17 135.264 8.650 -6.279 1.00 0.00 H new ATOM 0 HB3 ASP C 17 135.380 8.259 -7.983 1.00 0.00 H new ATOM 1134 N GLY C 18 131.952 6.729 -8.154 1.00 0.00 N ATOM 1135 CA GLY C 18 131.625 5.627 -9.032 1.00 0.00 C ATOM 1136 C GLY C 18 132.536 4.421 -8.882 1.00 0.00 C ATOM 1137 O GLY C 18 132.583 3.584 -9.783 1.00 0.00 O ATOM 0 H GLY C 18 131.214 6.986 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY C 18 130.597 5.318 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY C 18 131.667 5.974 -10.064 1.00 0.00 H new ATOM 1141 N GLU C 19 133.294 4.322 -7.784 1.00 0.00 N ATOM 1142 CA GLU C 19 134.204 3.204 -7.634 1.00 0.00 C ATOM 1143 C GLU C 19 134.181 2.629 -6.231 1.00 0.00 C ATOM 1144 O GLU C 19 133.696 3.259 -5.291 1.00 0.00 O ATOM 1145 CB GLU C 19 135.613 3.682 -7.950 1.00 0.00 C ATOM 1146 CG GLU C 19 135.836 3.985 -9.423 1.00 0.00 C ATOM 1147 CD GLU C 19 137.229 4.510 -9.707 1.00 0.00 C ATOM 1148 OE1 GLU C 19 137.588 5.570 -9.152 1.00 0.00 O ATOM 1149 OE2 GLU C 19 137.961 3.863 -10.485 1.00 0.00 O ATOM 0 H GLU C 19 133.291 4.988 -7.011 1.00 0.00 H new ATOM 0 HA GLU C 19 133.888 2.417 -8.318 1.00 0.00 H new ATOM 0 HB2 GLU C 19 135.823 4.579 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU C 19 136.326 2.921 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU C 19 135.668 3.079 -10.006 1.00 0.00 H new ATOM 0 HG3 GLU C 19 135.101 4.719 -9.754 1.00 0.00 H new ATOM 1156 N TRP C 20 134.732 1.429 -6.097 1.00 0.00 N ATOM 1157 CA TRP C 20 134.803 0.767 -4.815 1.00 0.00 C ATOM 1158 C TRP C 20 136.160 1.006 -4.177 1.00 0.00 C ATOM 1159 O TRP C 20 137.193 0.589 -4.700 1.00 0.00 O ATOM 1160 CB TRP C 20 134.504 -0.728 -4.947 1.00 0.00 C ATOM 1161 CG TRP C 20 133.078 -0.932 -5.314 1.00 0.00 C ATOM 1162 CD1 TRP C 20 132.558 -1.422 -6.478 1.00 0.00 C ATOM 1163 CD2 TRP C 20 131.972 -0.584 -4.494 1.00 0.00 C ATOM 1164 NE1 TRP C 20 131.181 -1.397 -6.414 1.00 0.00 N ATOM 1165 CE2 TRP C 20 130.809 -0.891 -5.206 1.00 0.00 C ATOM 1166 CE3 TRP C 20 131.859 -0.043 -3.214 1.00 0.00 C ATOM 1167 CZ2 TRP C 20 129.549 -0.673 -4.687 1.00 0.00 C ATOM 1168 CZ3 TRP C 20 130.608 0.173 -2.701 1.00 0.00 C ATOM 1169 CH2 TRP C 20 129.464 -0.144 -3.437 1.00 0.00 C ATOM 0 H TRP C 20 135.136 0.898 -6.869 1.00 0.00 H new ATOM 0 HA TRP C 20 134.039 1.192 -4.164 1.00 0.00 H new ATOM 0 HB2 TRP C 20 135.150 -1.171 -5.705 1.00 0.00 H new ATOM 0 HB3 TRP C 20 134.722 -1.235 -4.007 1.00 0.00 H new ATOM 0 HD1 TRP C 20 133.136 -1.775 -7.319 1.00 0.00 H new ATOM 0 HE1 TRP C 20 130.546 -1.706 -7.150 1.00 0.00 H new ATOM 0 HE3 TRP C 20 132.740 0.201 -2.639 1.00 0.00 H new ATOM 0 HZ2 TRP C 20 128.662 -0.914 -5.254 1.00 0.00 H new ATOM 0 HZ3 TRP C 20 130.504 0.595 -1.712 1.00 0.00 H new ATOM 0 HH2 TRP C 20 128.491 0.035 -3.004 1.00 0.00 H new ATOM 1180 N VAL C 21 136.145 1.709 -3.056 1.00 0.00 N ATOM 1181 CA VAL C 21 137.364 2.050 -2.341 1.00 0.00 C ATOM 1182 C VAL C 21 137.512 1.226 -1.105 1.00 0.00 C ATOM 1183 O VAL C 21 136.572 1.038 -0.343 1.00 0.00 O ATOM 1184 CB VAL C 21 137.372 3.540 -1.957 1.00 0.00 C ATOM 1185 CG1 VAL C 21 136.887 4.342 -3.122 1.00 0.00 C ATOM 1186 CG2 VAL C 21 136.488 3.800 -0.750 1.00 0.00 C ATOM 0 H VAL C 21 135.292 2.058 -2.618 1.00 0.00 H new ATOM 0 HA VAL C 21 138.201 1.843 -3.008 1.00 0.00 H new ATOM 0 HB VAL C 21 138.389 3.831 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL C 21 136.888 5.400 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL C 21 137.545 4.178 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL C 21 135.874 4.033 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL C 21 136.514 4.861 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL C 21 135.464 3.505 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL C 21 136.851 3.220 0.099 1.00 0.00 H new ATOM 1196 N LEU C 22 138.706 0.732 -0.920 1.00 0.00 N ATOM 1197 CA LEU C 22 139.004 -0.077 0.218 1.00 0.00 C ATOM 1198 C LEU C 22 138.662 0.648 1.503 1.00 0.00 C ATOM 1199 O LEU C 22 139.168 1.735 1.780 1.00 0.00 O ATOM 1200 CB LEU C 22 140.453 -0.455 0.188 1.00 0.00 C ATOM 1201 CG LEU C 22 140.714 -1.895 -0.234 1.00 0.00 C ATOM 1202 CD1 LEU C 22 142.112 -2.300 0.137 1.00 0.00 C ATOM 1203 CD2 LEU C 22 139.716 -2.839 0.410 1.00 0.00 C ATOM 0 H LEU C 22 139.492 0.881 -1.553 1.00 0.00 H new ATOM 0 HA LEU C 22 138.396 -0.981 0.182 1.00 0.00 H new ATOM 0 HB2 LEU C 22 140.977 0.213 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU C 22 140.879 -0.296 1.179 1.00 0.00 H new ATOM 0 HG LEU C 22 140.598 -1.956 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU C 22 142.286 -3.331 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU C 22 142.825 -1.647 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU C 22 142.241 -2.216 1.216 1.00 0.00 H new ATOM 0 HD21 LEU C 22 139.924 -3.861 0.092 1.00 0.00 H new ATOM 0 HD22 LEU C 22 139.800 -2.772 1.495 1.00 0.00 H new ATOM 0 HD23 LEU C 22 138.706 -2.563 0.106 1.00 0.00 H new ATOM 1215 N LEU C 23 137.802 0.031 2.277 1.00 0.00 N ATOM 1216 CA LEU C 23 137.371 0.584 3.541 1.00 0.00 C ATOM 1217 C LEU C 23 138.539 0.804 4.477 1.00 0.00 C ATOM 1218 O LEU C 23 138.564 1.767 5.244 1.00 0.00 O ATOM 1219 CB LEU C 23 136.415 -0.389 4.195 1.00 0.00 C ATOM 1220 CG LEU C 23 136.061 -0.093 5.654 1.00 0.00 C ATOM 1221 CD1 LEU C 23 134.842 0.796 5.789 1.00 0.00 C ATOM 1222 CD2 LEU C 23 135.838 -1.382 6.406 1.00 0.00 C ATOM 0 H LEU C 23 137.380 -0.869 2.049 1.00 0.00 H new ATOM 0 HA LEU C 23 136.893 1.544 3.348 1.00 0.00 H new ATOM 0 HB2 LEU C 23 135.493 -0.410 3.614 1.00 0.00 H new ATOM 0 HB3 LEU C 23 136.849 -1.388 4.141 1.00 0.00 H new ATOM 0 HG LEU C 23 136.906 0.447 6.083 1.00 0.00 H new ATOM 0 HD11 LEU C 23 134.636 0.974 6.845 1.00 0.00 H new ATOM 0 HD12 LEU C 23 135.028 1.747 5.291 1.00 0.00 H new ATOM 0 HD13 LEU C 23 133.983 0.308 5.329 1.00 0.00 H new ATOM 0 HD21 LEU C 23 135.587 -1.159 7.443 1.00 0.00 H new ATOM 0 HD22 LEU C 23 135.020 -1.935 5.945 1.00 0.00 H new ATOM 0 HD23 LEU C 23 136.746 -1.984 6.374 1.00 0.00 H new ATOM 1234 N SER C 24 139.478 -0.122 4.450 1.00 0.00 N ATOM 1235 CA SER C 24 140.629 -0.064 5.341 1.00 0.00 C ATOM 1236 C SER C 24 141.458 1.179 5.074 1.00 0.00 C ATOM 1237 O SER C 24 142.208 1.625 5.943 1.00 0.00 O ATOM 1238 CB SER C 24 141.499 -1.311 5.167 1.00 0.00 C ATOM 1239 OG SER C 24 142.713 -1.192 5.889 1.00 0.00 O ATOM 0 H SER C 24 139.470 -0.925 3.822 1.00 0.00 H new ATOM 0 HA SER C 24 140.260 -0.023 6.366 1.00 0.00 H new ATOM 0 HB2 SER C 24 140.953 -2.190 5.510 1.00 0.00 H new ATOM 0 HB3 SER C 24 141.715 -1.463 4.109 1.00 0.00 H new ATOM 0 HG SER C 24 143.250 -2.002 5.762 1.00 0.00 H new ATOM 1245 N THR C 25 141.283 1.779 3.905 1.00 0.00 N ATOM 1246 CA THR C 25 141.991 3.010 3.618 1.00 0.00 C ATOM 1247 C THR C 25 141.417 4.114 4.508 1.00 0.00 C ATOM 1248 O THR C 25 142.026 5.166 4.698 1.00 0.00 O ATOM 1249 CB THR C 25 141.862 3.395 2.138 1.00 0.00 C ATOM 1250 OG1 THR C 25 142.557 2.469 1.322 1.00 0.00 O ATOM 1251 CG2 THR C 25 142.383 4.777 1.800 1.00 0.00 C ATOM 0 H THR C 25 140.673 1.442 3.160 1.00 0.00 H new ATOM 0 HA THR C 25 143.052 2.872 3.825 1.00 0.00 H new ATOM 0 HB THR C 25 140.789 3.386 1.945 1.00 0.00 H new ATOM 0 HG1 THR C 25 142.464 2.727 0.381 1.00 0.00 H new ATOM 0 HG21 THR C 25 142.252 4.965 0.734 1.00 0.00 H new ATOM 0 HG22 THR C 25 141.831 5.524 2.370 1.00 0.00 H new ATOM 0 HG23 THR C 25 143.442 4.838 2.052 1.00 0.00 H new ATOM 1259 N PHE C 26 140.215 3.851 5.036 1.00 0.00 N ATOM 1260 CA PHE C 26 139.509 4.793 5.887 1.00 0.00 C ATOM 1261 C PHE C 26 139.632 4.445 7.373 1.00 0.00 C ATOM 1262 O PHE C 26 139.288 5.256 8.223 1.00 0.00 O ATOM 1263 CB PHE C 26 138.031 4.836 5.477 1.00 0.00 C ATOM 1264 CG PHE C 26 137.822 5.407 4.084 1.00 0.00 C ATOM 1265 CD1 PHE C 26 138.030 4.634 2.944 1.00 0.00 C ATOM 1266 CD2 PHE C 26 137.435 6.731 3.919 1.00 0.00 C ATOM 1267 CE1 PHE C 26 137.852 5.174 1.671 1.00 0.00 C ATOM 1268 CE2 PHE C 26 137.255 7.273 2.655 1.00 0.00 C ATOM 1269 CZ PHE C 26 137.463 6.498 1.527 1.00 0.00 C ATOM 0 H PHE C 26 139.712 2.977 4.880 1.00 0.00 H new ATOM 0 HA PHE C 26 139.968 5.772 5.751 1.00 0.00 H new ATOM 0 HB2 PHE C 26 137.618 3.828 5.517 1.00 0.00 H new ATOM 0 HB3 PHE C 26 137.476 5.437 6.198 1.00 0.00 H new ATOM 0 HD1 PHE C 26 138.333 3.603 3.048 1.00 0.00 H new ATOM 0 HD2 PHE C 26 137.272 7.349 4.790 1.00 0.00 H new ATOM 0 HE1 PHE C 26 138.017 4.562 0.797 1.00 0.00 H new ATOM 0 HE2 PHE C 26 136.951 8.304 2.550 1.00 0.00 H new ATOM 0 HZ PHE C 26 137.324 6.921 0.543 1.00 0.00 H new ATOM 1279 N LEU C 27 140.148 3.265 7.706 1.00 0.00 N ATOM 1280 CA LEU C 27 140.301 2.891 9.111 1.00 0.00 C ATOM 1281 C LEU C 27 141.756 3.012 9.550 1.00 0.00 C ATOM 1282 O LEU C 27 142.027 3.797 10.483 1.00 0.00 O ATOM 1283 CB LEU C 27 139.803 1.462 9.355 1.00 0.00 C ATOM 1284 CG LEU C 27 138.432 1.131 8.756 1.00 0.00 C ATOM 1285 CD1 LEU C 27 138.108 -0.338 8.940 1.00 0.00 C ATOM 1286 CD2 LEU C 27 137.340 1.971 9.394 1.00 0.00 C ATOM 1287 OXT LEU C 27 142.612 2.323 8.958 1.00 0.00 O ATOM 0 H LEU C 27 140.462 2.562 7.037 1.00 0.00 H new ATOM 0 HA LEU C 27 139.697 3.579 9.703 1.00 0.00 H new ATOM 0 HB2 LEU C 27 140.536 0.766 8.948 1.00 0.00 H new ATOM 0 HB3 LEU C 27 139.762 1.289 10.430 1.00 0.00 H new ATOM 0 HG LEU C 27 138.476 1.359 7.691 1.00 0.00 H new ATOM 0 HD11 LEU C 27 137.130 -0.552 8.508 1.00 0.00 H new ATOM 0 HD12 LEU C 27 138.865 -0.943 8.441 1.00 0.00 H new ATOM 0 HD13 LEU C 27 138.095 -0.577 10.003 1.00 0.00 H new ATOM 0 HD21 LEU C 27 136.378 1.715 8.950 1.00 0.00 H new ATOM 0 HD22 LEU C 27 137.309 1.774 10.466 1.00 0.00 H new ATOM 0 HD23 LEU C 27 137.548 3.028 9.225 1.00 0.00 H new