USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 722 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 Set 1.1: B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 2 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0.027) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0664 (180deg=-0.362) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 73:sc= 0.257 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -150:sc= -0.251 (180deg=-0.862) USER MOD Single : A 33 GLN : amide:sc= -0.699 K(o=-0.7,f=-0.17) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 SER OG : rot 84:sc= 1.18 USER MOD Single : B 21 THR OG1 : rot 74:sc= 0.11 USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 30 MET CE :methyl 134:sc= -0.344 (180deg=-1.81) USER MOD Single : B 33 GLN : amide:sc= -0.953 K(o=-0.95,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -165:sc= -0.051 (180deg=-0.314) USER MOD Single : B 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.490 -27.202 7.318 1.00 0.00 N ATOM 2 CA GLY A 1 14.071 -28.626 7.427 1.00 0.00 C ATOM 3 C GLY A 1 13.019 -29.002 6.400 1.00 0.00 C ATOM 4 O GLY A 1 13.165 -29.995 5.687 1.00 0.00 O ATOM 0 H1 GLY A 1 15.209 -26.995 8.040 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.889 -27.029 6.373 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.665 -26.585 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.943 -29.269 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.680 -28.811 8.428 1.00 0.00 H new ATOM 10 N HIS A 2 11.956 -28.207 6.328 1.00 0.00 N ATOM 11 CA HIS A 2 10.872 -28.458 5.383 1.00 0.00 C ATOM 12 C HIS A 2 10.152 -27.161 5.025 1.00 0.00 C ATOM 13 O HIS A 2 10.489 -26.093 5.536 1.00 0.00 O ATOM 14 CB HIS A 2 9.878 -29.463 5.968 1.00 0.00 C ATOM 15 CG HIS A 2 9.336 -29.059 7.305 1.00 0.00 C ATOM 16 ND1 HIS A 2 9.879 -29.490 8.499 1.00 0.00 N ATOM 17 CD2 HIS A 2 8.293 -28.262 7.635 1.00 0.00 C ATOM 18 CE1 HIS A 2 9.192 -28.975 9.504 1.00 0.00 C ATOM 19 NE2 HIS A 2 8.226 -28.225 9.006 1.00 0.00 N ATOM 0 H HIS A 2 11.822 -27.382 6.913 1.00 0.00 H new ATOM 0 HA HIS A 2 11.305 -28.875 4.474 1.00 0.00 H new ATOM 0 HB2 HIS A 2 9.049 -29.589 5.272 1.00 0.00 H new ATOM 0 HB3 HIS A 2 10.366 -30.433 6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 2 7.636 -27.750 6.948 1.00 0.00 H new ATOM 0 HE1 HIS A 2 9.387 -29.140 10.553 1.00 0.00 H new ATOM 0 HE2 HIS A 2 7.541 -27.703 9.552 1.00 0.00 H new ATOM 28 N SER A 3 9.159 -27.259 4.145 1.00 0.00 N ATOM 29 CA SER A 3 8.394 -26.093 3.721 1.00 0.00 C ATOM 30 C SER A 3 7.191 -25.865 4.633 1.00 0.00 C ATOM 31 O SER A 3 6.616 -26.812 5.167 1.00 0.00 O ATOM 32 CB SER A 3 7.925 -26.261 2.274 1.00 0.00 C ATOM 33 OG SER A 3 7.113 -27.413 2.131 1.00 0.00 O ATOM 0 H SER A 3 8.866 -28.135 3.712 1.00 0.00 H new ATOM 0 HA SER A 3 9.046 -25.222 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.366 -25.378 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.790 -26.338 1.615 1.00 0.00 H new ATOM 0 HG SER A 3 6.825 -27.497 1.198 1.00 0.00 H new ATOM 39 N LEU A 4 6.818 -24.600 4.806 1.00 0.00 N ATOM 40 CA LEU A 4 5.686 -24.245 5.654 1.00 0.00 C ATOM 41 C LEU A 4 4.376 -24.338 4.872 1.00 0.00 C ATOM 42 O LEU A 4 4.356 -24.127 3.659 1.00 0.00 O ATOM 43 CB LEU A 4 5.864 -22.829 6.209 1.00 0.00 C ATOM 44 CG LEU A 4 7.140 -22.604 7.025 1.00 0.00 C ATOM 45 CD1 LEU A 4 7.252 -21.149 7.449 1.00 0.00 C ATOM 46 CD2 LEU A 4 7.165 -23.517 8.243 1.00 0.00 C ATOM 0 H LEU A 4 7.284 -23.804 4.370 1.00 0.00 H new ATOM 0 HA LEU A 4 5.646 -24.950 6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.856 -22.126 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.004 -22.591 6.836 1.00 0.00 H new ATOM 0 HG LEU A 4 7.996 -22.847 6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.165 -21.008 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.282 -20.513 6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.390 -20.881 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.079 -23.342 8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.301 -23.306 8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.132 -24.557 7.919 1.00 0.00 H new ATOM 58 N PRO A 5 3.259 -24.656 5.555 1.00 0.00 N ATOM 59 CA PRO A 5 1.944 -24.776 4.912 1.00 0.00 C ATOM 60 C PRO A 5 1.494 -23.468 4.267 1.00 0.00 C ATOM 61 O PRO A 5 2.060 -22.407 4.529 1.00 0.00 O ATOM 62 CB PRO A 5 1.003 -25.156 6.062 1.00 0.00 C ATOM 63 CG PRO A 5 1.892 -25.676 7.139 1.00 0.00 C ATOM 64 CD PRO A 5 3.185 -24.924 7.003 1.00 0.00 C ATOM 0 HA PRO A 5 1.958 -25.507 4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.432 -24.293 6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.282 -25.911 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.449 -25.517 8.122 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.051 -26.749 7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.179 -24.002 7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.034 -25.514 7.349 1.00 0.00 H new ATOM 72 N PHE A 6 0.467 -23.555 3.426 1.00 0.00 N ATOM 73 CA PHE A 6 -0.069 -22.385 2.737 1.00 0.00 C ATOM 74 C PHE A 6 -0.800 -21.462 3.708 1.00 0.00 C ATOM 75 O PHE A 6 -1.059 -20.300 3.397 1.00 0.00 O ATOM 76 CB PHE A 6 -1.019 -22.817 1.618 1.00 0.00 C ATOM 77 CG PHE A 6 -2.212 -23.594 2.105 1.00 0.00 C ATOM 78 CD1 PHE A 6 -2.139 -24.967 2.272 1.00 0.00 C ATOM 79 CD2 PHE A 6 -3.406 -22.949 2.394 1.00 0.00 C ATOM 80 CE1 PHE A 6 -3.233 -25.684 2.718 1.00 0.00 C ATOM 81 CE2 PHE A 6 -4.503 -23.663 2.840 1.00 0.00 C ATOM 82 CZ PHE A 6 -4.416 -25.032 3.002 1.00 0.00 C ATOM 0 H PHE A 6 -0.012 -24.428 3.205 1.00 0.00 H new ATOM 0 HA PHE A 6 0.769 -21.837 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.366 -21.931 1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.468 -23.425 0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.216 -25.483 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.479 -21.879 2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.162 -26.754 2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.427 -23.150 3.062 1.00 0.00 H new ATOM 0 HZ PHE A 6 -5.272 -25.591 3.350 1.00 0.00 H new ATOM 92 N LYS A 7 -1.130 -21.986 4.881 1.00 0.00 N ATOM 93 CA LYS A 7 -1.845 -21.217 5.893 1.00 0.00 C ATOM 94 C LYS A 7 -1.088 -19.946 6.270 1.00 0.00 C ATOM 95 O LYS A 7 -1.667 -18.860 6.306 1.00 0.00 O ATOM 96 CB LYS A 7 -2.073 -22.074 7.138 1.00 0.00 C ATOM 97 CG LYS A 7 -2.856 -23.347 6.859 1.00 0.00 C ATOM 98 CD LYS A 7 -3.028 -24.186 8.115 1.00 0.00 C ATOM 99 CE LYS A 7 -3.902 -23.487 9.145 1.00 0.00 C ATOM 100 NZ LYS A 7 -5.267 -23.216 8.619 1.00 0.00 N ATOM 0 H LYS A 7 -0.913 -22.944 5.157 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.806 -20.924 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.108 -22.337 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.606 -21.484 7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.835 -23.091 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.340 -23.932 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.472 -25.146 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.050 -24.395 8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.974 -24.105 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.434 -22.548 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.906 -22.995 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.233 -22.408 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.618 -24.055 8.115 1.00 0.00 H new ATOM 114 N VAL A 8 0.203 -20.084 6.549 1.00 0.00 N ATOM 115 CA VAL A 8 1.027 -18.943 6.929 1.00 0.00 C ATOM 116 C VAL A 8 1.284 -18.018 5.739 1.00 0.00 C ATOM 117 O VAL A 8 1.345 -16.799 5.894 1.00 0.00 O ATOM 118 CB VAL A 8 2.379 -19.393 7.514 1.00 0.00 C ATOM 119 CG1 VAL A 8 3.150 -18.203 8.063 1.00 0.00 C ATOM 120 CG2 VAL A 8 2.172 -20.446 8.593 1.00 0.00 C ATOM 0 H VAL A 8 0.701 -20.974 6.519 1.00 0.00 H new ATOM 0 HA VAL A 8 0.471 -18.399 7.692 1.00 0.00 H new ATOM 0 HB VAL A 8 2.968 -19.838 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.102 -18.543 8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.334 -17.488 7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.568 -17.724 8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.139 -20.751 8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.562 -20.030 9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.667 -21.312 8.164 1.00 0.00 H new ATOM 130 N VAL A 9 1.434 -18.606 4.555 1.00 0.00 N ATOM 131 CA VAL A 9 1.694 -17.833 3.344 1.00 0.00 C ATOM 132 C VAL A 9 0.538 -16.888 3.024 1.00 0.00 C ATOM 133 O VAL A 9 0.748 -15.715 2.720 1.00 0.00 O ATOM 134 CB VAL A 9 1.932 -18.744 2.124 1.00 0.00 C ATOM 135 CG1 VAL A 9 2.669 -17.987 1.030 1.00 0.00 C ATOM 136 CG2 VAL A 9 2.695 -19.997 2.520 1.00 0.00 C ATOM 0 H VAL A 9 1.380 -19.614 4.408 1.00 0.00 H new ATOM 0 HA VAL A 9 2.596 -17.254 3.542 1.00 0.00 H new ATOM 0 HB VAL A 9 0.961 -19.052 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.829 -18.645 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.075 -17.127 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.632 -17.645 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.849 -20.622 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.661 -19.717 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.123 -20.552 3.264 1.00 0.00 H new ATOM 146 N VAL A 10 -0.683 -17.412 3.092 1.00 0.00 N ATOM 147 CA VAL A 10 -1.876 -16.625 2.797 1.00 0.00 C ATOM 148 C VAL A 10 -2.068 -15.482 3.793 1.00 0.00 C ATOM 149 O VAL A 10 -2.238 -14.331 3.396 1.00 0.00 O ATOM 150 CB VAL A 10 -3.140 -17.507 2.791 1.00 0.00 C ATOM 151 CG1 VAL A 10 -4.387 -16.666 2.562 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.023 -18.596 1.735 1.00 0.00 C ATOM 0 H VAL A 10 -0.872 -18.381 3.350 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.726 -16.200 1.804 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.230 -17.982 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.266 -17.311 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.479 -15.927 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.311 -16.156 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.924 -19.210 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.905 -18.139 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.156 -19.221 1.951 1.00 0.00 H new ATOM 162 N ILE A 11 -2.045 -15.806 5.080 1.00 0.00 N ATOM 163 CA ILE A 11 -2.230 -14.802 6.123 1.00 0.00 C ATOM 164 C ILE A 11 -1.188 -13.691 6.021 1.00 0.00 C ATOM 165 O ILE A 11 -1.507 -12.512 6.179 1.00 0.00 O ATOM 166 CB ILE A 11 -2.159 -15.431 7.529 1.00 0.00 C ATOM 167 CG1 ILE A 11 -3.240 -16.505 7.680 1.00 0.00 C ATOM 168 CG2 ILE A 11 -2.314 -14.362 8.602 1.00 0.00 C ATOM 169 CD1 ILE A 11 -3.108 -17.326 8.946 1.00 0.00 C ATOM 0 H ILE A 11 -1.900 -16.754 5.427 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.222 -14.375 5.972 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.182 -15.899 7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.219 -16.027 7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.200 -17.172 6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.261 -14.825 9.587 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.514 -13.628 8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.278 -13.866 8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.907 -18.066 8.985 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.143 -17.833 8.952 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.178 -16.670 9.814 1.00 0.00 H new ATOM 181 N SER A 12 0.056 -14.075 5.755 1.00 0.00 N ATOM 182 CA SER A 12 1.147 -13.112 5.638 1.00 0.00 C ATOM 183 C SER A 12 0.994 -12.252 4.386 1.00 0.00 C ATOM 184 O SER A 12 1.269 -11.052 4.409 1.00 0.00 O ATOM 185 CB SER A 12 2.493 -13.839 5.608 1.00 0.00 C ATOM 186 OG SER A 12 3.564 -12.923 5.476 1.00 0.00 O ATOM 0 H SER A 12 0.335 -15.046 5.616 1.00 0.00 H new ATOM 0 HA SER A 12 1.110 -12.457 6.509 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.617 -14.419 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.510 -14.545 4.778 1.00 0.00 H new ATOM 0 HG SER A 12 4.413 -13.412 5.461 1.00 0.00 H new ATOM 192 N ALA A 13 0.552 -12.871 3.297 1.00 0.00 N ATOM 193 CA ALA A 13 0.371 -12.164 2.036 1.00 0.00 C ATOM 194 C ALA A 13 -0.755 -11.136 2.127 1.00 0.00 C ATOM 195 O ALA A 13 -0.541 -9.949 1.884 1.00 0.00 O ATOM 196 CB ALA A 13 0.092 -13.152 0.913 1.00 0.00 C ATOM 0 H ALA A 13 0.312 -13.862 3.263 1.00 0.00 H new ATOM 0 HA ALA A 13 1.295 -11.628 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.041 -12.610 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.931 -13.841 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.814 -13.714 1.139 1.00 0.00 H new ATOM 202 N ILE A 14 -1.950 -11.602 2.483 1.00 0.00 N ATOM 203 CA ILE A 14 -3.113 -10.728 2.602 1.00 0.00 C ATOM 204 C ILE A 14 -2.842 -9.562 3.547 1.00 0.00 C ATOM 205 O ILE A 14 -3.143 -8.411 3.226 1.00 0.00 O ATOM 206 CB ILE A 14 -4.349 -11.505 3.101 1.00 0.00 C ATOM 207 CG1 ILE A 14 -4.679 -12.650 2.140 1.00 0.00 C ATOM 208 CG2 ILE A 14 -5.540 -10.566 3.247 1.00 0.00 C ATOM 209 CD1 ILE A 14 -5.827 -13.523 2.605 1.00 0.00 C ATOM 0 H ILE A 14 -2.138 -12.582 2.694 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.314 -10.337 1.605 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.125 -11.930 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.923 -12.234 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.792 -13.270 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.405 -11.128 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.299 -9.782 3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.769 -10.116 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.003 -14.312 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.578 -13.969 3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.727 -12.916 2.708 1.00 0.00 H new ATOM 221 N LEU A 15 -2.275 -9.864 4.711 1.00 0.00 N ATOM 222 CA LEU A 15 -1.964 -8.840 5.702 1.00 0.00 C ATOM 223 C LEU A 15 -1.106 -7.737 5.094 1.00 0.00 C ATOM 224 O LEU A 15 -1.279 -6.559 5.405 1.00 0.00 O ATOM 225 CB LEU A 15 -1.242 -9.461 6.900 1.00 0.00 C ATOM 226 CG LEU A 15 -0.839 -8.475 8.000 1.00 0.00 C ATOM 227 CD1 LEU A 15 -2.070 -7.869 8.657 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.033 -9.166 9.038 1.00 0.00 C ATOM 0 H LEU A 15 -2.021 -10.811 4.991 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.903 -8.401 6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.886 -10.224 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.346 -9.967 6.541 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.264 -7.669 7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.761 -7.172 9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.659 -7.339 7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.674 -8.662 9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.311 -8.452 9.813 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.520 -9.991 9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.933 -9.551 8.559 1.00 0.00 H new ATOM 240 N ALA A 16 -0.181 -8.127 4.222 1.00 0.00 N ATOM 241 CA ALA A 16 0.703 -7.172 3.569 1.00 0.00 C ATOM 242 C ALA A 16 -0.082 -6.235 2.659 1.00 0.00 C ATOM 243 O ALA A 16 0.218 -5.044 2.572 1.00 0.00 O ATOM 244 CB ALA A 16 1.777 -7.906 2.784 1.00 0.00 C ATOM 0 H ALA A 16 -0.026 -9.098 3.952 1.00 0.00 H new ATOM 0 HA ALA A 16 1.183 -6.566 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.432 -7.182 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.362 -8.528 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.309 -8.535 2.027 1.00 0.00 H new ATOM 250 N LEU A 17 -1.090 -6.780 1.981 1.00 0.00 N ATOM 251 CA LEU A 17 -1.927 -5.986 1.089 1.00 0.00 C ATOM 252 C LEU A 17 -2.684 -4.924 1.875 1.00 0.00 C ATOM 253 O LEU A 17 -2.913 -3.816 1.389 1.00 0.00 O ATOM 254 CB LEU A 17 -2.915 -6.885 0.337 1.00 0.00 C ATOM 255 CG LEU A 17 -2.387 -7.504 -0.959 1.00 0.00 C ATOM 256 CD1 LEU A 17 -2.057 -6.417 -1.973 1.00 0.00 C ATOM 257 CD2 LEU A 17 -1.164 -8.367 -0.684 1.00 0.00 C ATOM 0 H LEU A 17 -1.345 -7.766 2.033 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.281 -5.492 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.227 -7.690 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.806 -6.301 0.104 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.167 -8.141 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.683 -6.875 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.956 -5.842 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.296 -5.754 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.805 -8.797 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.379 -7.755 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.431 -9.168 0.005 1.00 0.00 H new ATOM 269 N VAL A 18 -3.072 -5.276 3.097 1.00 0.00 N ATOM 270 CA VAL A 18 -3.794 -4.357 3.964 1.00 0.00 C ATOM 271 C VAL A 18 -2.894 -3.204 4.389 1.00 0.00 C ATOM 272 O VAL A 18 -3.333 -2.058 4.474 1.00 0.00 O ATOM 273 CB VAL A 18 -4.325 -5.078 5.221 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.146 -4.130 6.080 1.00 0.00 C ATOM 275 CG2 VAL A 18 -5.142 -6.299 4.828 1.00 0.00 C ATOM 0 H VAL A 18 -2.897 -6.193 3.508 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.640 -3.968 3.397 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.472 -5.413 5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.510 -4.660 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.524 -3.291 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.993 -3.758 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.509 -6.796 5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.987 -5.989 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.516 -6.989 4.262 1.00 0.00 H new ATOM 285 N VAL A 19 -1.629 -3.521 4.647 1.00 0.00 N ATOM 286 CA VAL A 19 -0.656 -2.518 5.060 1.00 0.00 C ATOM 287 C VAL A 19 -0.366 -1.528 3.937 1.00 0.00 C ATOM 288 O VAL A 19 -0.288 -0.324 4.170 1.00 0.00 O ATOM 289 CB VAL A 19 0.666 -3.173 5.506 1.00 0.00 C ATOM 290 CG1 VAL A 19 1.705 -2.115 5.847 1.00 0.00 C ATOM 291 CG2 VAL A 19 0.430 -4.095 6.691 1.00 0.00 C ATOM 0 H VAL A 19 -1.254 -4.467 4.577 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.094 -1.983 5.902 1.00 0.00 H new ATOM 0 HB VAL A 19 1.049 -3.769 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.630 -2.600 6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.897 -1.498 4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.333 -1.488 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.374 -4.549 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.021 -3.521 7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.275 -4.877 6.409 1.00 0.00 H new ATOM 301 N LEU A 20 -0.204 -2.042 2.720 1.00 0.00 N ATOM 302 CA LEU A 20 0.080 -1.192 1.567 1.00 0.00 C ATOM 303 C LEU A 20 -1.023 -0.151 1.386 1.00 0.00 C ATOM 304 O LEU A 20 -0.751 1.002 1.055 1.00 0.00 O ATOM 305 CB LEU A 20 0.221 -2.046 0.299 1.00 0.00 C ATOM 306 CG LEU A 20 1.161 -1.485 -0.781 1.00 0.00 C ATOM 307 CD1 LEU A 20 0.610 -0.195 -1.372 1.00 0.00 C ATOM 308 CD2 LEU A 20 2.559 -1.257 -0.216 1.00 0.00 C ATOM 0 H LEU A 20 -0.264 -3.038 2.507 1.00 0.00 H new ATOM 0 HA LEU A 20 1.021 -0.671 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.577 -3.035 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.768 -2.179 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 20 1.227 -2.223 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.295 0.179 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.363 -0.388 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.502 0.550 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.207 -0.860 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.507 -0.546 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.964 -2.202 0.146 1.00 0.00 H new ATOM 320 N THR A 21 -2.265 -0.565 1.615 1.00 0.00 N ATOM 321 CA THR A 21 -3.407 0.334 1.482 1.00 0.00 C ATOM 322 C THR A 21 -3.374 1.413 2.559 1.00 0.00 C ATOM 323 O THR A 21 -3.774 2.553 2.322 1.00 0.00 O ATOM 324 CB THR A 21 -4.741 -0.432 1.577 1.00 0.00 C ATOM 325 OG1 THR A 21 -4.781 -1.471 0.593 1.00 0.00 O ATOM 326 CG2 THR A 21 -5.923 0.507 1.375 1.00 0.00 C ATOM 0 H THR A 21 -2.507 -1.516 1.893 1.00 0.00 H new ATOM 0 HA THR A 21 -3.337 0.798 0.498 1.00 0.00 H new ATOM 0 HB THR A 21 -4.810 -0.870 2.573 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.184 -2.200 0.862 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.853 -0.058 1.447 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.908 1.281 2.143 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.855 0.971 0.391 1.00 0.00 H new ATOM 334 N ILE A 22 -2.895 1.043 3.743 1.00 0.00 N ATOM 335 CA ILE A 22 -2.803 1.977 4.859 1.00 0.00 C ATOM 336 C ILE A 22 -1.659 2.964 4.651 1.00 0.00 C ATOM 337 O ILE A 22 -1.767 4.137 5.007 1.00 0.00 O ATOM 338 CB ILE A 22 -2.605 1.236 6.197 1.00 0.00 C ATOM 339 CG1 ILE A 22 -3.822 0.354 6.496 1.00 0.00 C ATOM 340 CG2 ILE A 22 -2.371 2.228 7.330 1.00 0.00 C ATOM 341 CD1 ILE A 22 -3.646 -0.537 7.706 1.00 0.00 C ATOM 0 H ILE A 22 -2.564 0.101 3.954 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.745 2.524 4.898 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.724 0.599 6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.693 0.992 6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.031 -0.268 5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.234 1.686 8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.480 2.818 7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.232 2.890 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.548 -1.131 7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.796 -1.201 7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.467 0.078 8.588 1.00 0.00 H new ATOM 353 N ILE A 23 -0.562 2.481 4.074 1.00 0.00 N ATOM 354 CA ILE A 23 0.595 3.327 3.813 1.00 0.00 C ATOM 355 C ILE A 23 0.238 4.433 2.823 1.00 0.00 C ATOM 356 O ILE A 23 0.555 5.601 3.038 1.00 0.00 O ATOM 357 CB ILE A 23 1.785 2.518 3.260 1.00 0.00 C ATOM 358 CG1 ILE A 23 2.297 1.534 4.315 1.00 0.00 C ATOM 359 CG2 ILE A 23 2.902 3.451 2.808 1.00 0.00 C ATOM 360 CD1 ILE A 23 2.800 2.195 5.581 1.00 0.00 C ATOM 0 H ILE A 23 -0.452 1.511 3.780 1.00 0.00 H new ATOM 0 HA ILE A 23 0.890 3.766 4.766 1.00 0.00 H new ATOM 0 HB ILE A 23 1.445 1.949 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.494 0.843 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.102 0.940 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.734 2.862 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.530 4.112 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.243 4.047 3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.145 1.431 6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.625 2.865 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.992 2.766 6.039 1.00 0.00 H new ATOM 372 N SER A 24 -0.431 4.045 1.740 1.00 0.00 N ATOM 373 CA SER A 24 -0.835 4.990 0.703 1.00 0.00 C ATOM 374 C SER A 24 -1.996 5.868 1.163 1.00 0.00 C ATOM 375 O SER A 24 -2.188 6.972 0.653 1.00 0.00 O ATOM 376 CB SER A 24 -1.231 4.235 -0.569 1.00 0.00 C ATOM 377 OG SER A 24 -1.651 5.130 -1.583 1.00 0.00 O ATOM 0 H SER A 24 -0.705 3.080 1.558 1.00 0.00 H new ATOM 0 HA SER A 24 0.016 5.638 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.385 3.648 -0.926 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.034 3.533 -0.344 1.00 0.00 H new ATOM 0 HG SER A 24 -1.897 4.623 -2.385 1.00 0.00 H new ATOM 383 N LEU A 25 -2.768 5.375 2.127 1.00 0.00 N ATOM 384 CA LEU A 25 -3.910 6.123 2.645 1.00 0.00 C ATOM 385 C LEU A 25 -3.460 7.404 3.343 1.00 0.00 C ATOM 386 O LEU A 25 -3.861 8.503 2.961 1.00 0.00 O ATOM 387 CB LEU A 25 -4.713 5.257 3.620 1.00 0.00 C ATOM 388 CG LEU A 25 -5.918 5.949 4.261 1.00 0.00 C ATOM 389 CD1 LEU A 25 -6.975 6.266 3.215 1.00 0.00 C ATOM 390 CD2 LEU A 25 -6.504 5.086 5.367 1.00 0.00 C ATOM 0 H LEU A 25 -2.625 4.465 2.564 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.542 6.396 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.062 4.370 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.046 4.915 4.412 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.579 6.887 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.823 6.758 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.551 6.926 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.309 5.342 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.360 5.595 5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.825 4.131 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.748 4.913 6.133 1.00 0.00 H new ATOM 402 N ILE A 26 -2.631 7.249 4.372 1.00 0.00 N ATOM 403 CA ILE A 26 -2.128 8.388 5.131 1.00 0.00 C ATOM 404 C ILE A 26 -1.466 9.419 4.222 1.00 0.00 C ATOM 405 O ILE A 26 -1.626 10.624 4.417 1.00 0.00 O ATOM 406 CB ILE A 26 -1.119 7.937 6.208 1.00 0.00 C ATOM 407 CG1 ILE A 26 -1.791 6.956 7.173 1.00 0.00 C ATOM 408 CG2 ILE A 26 -0.563 9.141 6.959 1.00 0.00 C ATOM 409 CD1 ILE A 26 -0.849 6.363 8.198 1.00 0.00 C ATOM 0 H ILE A 26 -2.294 6.344 4.699 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.989 8.849 5.616 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.285 7.431 5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.601 7.469 7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.242 6.148 6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.147 8.803 7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.058 9.805 6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.380 9.677 7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.399 5.679 8.844 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.052 5.820 7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.416 7.162 8.800 1.00 0.00 H new ATOM 421 N ILE A 27 -0.727 8.942 3.228 1.00 0.00 N ATOM 422 CA ILE A 27 -0.040 9.827 2.295 1.00 0.00 C ATOM 423 C ILE A 27 -1.029 10.536 1.374 1.00 0.00 C ATOM 424 O ILE A 27 -0.841 11.700 1.027 1.00 0.00 O ATOM 425 CB ILE A 27 0.986 9.057 1.443 1.00 0.00 C ATOM 426 CG1 ILE A 27 1.990 8.334 2.344 1.00 0.00 C ATOM 427 CG2 ILE A 27 1.704 10.003 0.489 1.00 0.00 C ATOM 428 CD1 ILE A 27 2.769 9.258 3.259 1.00 0.00 C ATOM 0 H ILE A 27 -0.588 7.948 3.047 1.00 0.00 H new ATOM 0 HA ILE A 27 0.485 10.571 2.894 1.00 0.00 H new ATOM 0 HB ILE A 27 0.456 8.311 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.457 7.602 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.691 7.781 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.425 9.442 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.977 10.474 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.224 10.771 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.459 8.672 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.331 9.975 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.078 9.793 3.910 1.00 0.00 H new ATOM 440 N LEU A 28 -2.082 9.825 0.980 1.00 0.00 N ATOM 441 CA LEU A 28 -3.096 10.393 0.100 1.00 0.00 C ATOM 442 C LEU A 28 -3.709 11.643 0.719 1.00 0.00 C ATOM 443 O LEU A 28 -3.867 12.665 0.051 1.00 0.00 O ATOM 444 CB LEU A 28 -4.189 9.360 -0.186 1.00 0.00 C ATOM 445 CG LEU A 28 -5.266 9.813 -1.176 1.00 0.00 C ATOM 446 CD1 LEU A 28 -4.659 10.080 -2.545 1.00 0.00 C ATOM 447 CD2 LEU A 28 -6.369 8.770 -1.275 1.00 0.00 C ATOM 0 H LEU A 28 -2.254 8.858 1.256 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.616 10.671 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.720 8.455 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.671 9.093 0.755 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.701 10.742 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.441 10.401 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.905 10.863 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.196 9.168 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.126 9.107 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.947 7.825 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.825 8.629 -0.295 1.00 0.00 H new ATOM 459 N ILE A 29 -4.050 11.555 2.001 1.00 0.00 N ATOM 460 CA ILE A 29 -4.643 12.681 2.714 1.00 0.00 C ATOM 461 C ILE A 29 -3.576 13.695 3.113 1.00 0.00 C ATOM 462 O ILE A 29 -3.835 14.898 3.150 1.00 0.00 O ATOM 463 CB ILE A 29 -5.402 12.208 3.971 1.00 0.00 C ATOM 464 CG1 ILE A 29 -6.543 11.268 3.570 1.00 0.00 C ATOM 465 CG2 ILE A 29 -5.937 13.401 4.754 1.00 0.00 C ATOM 466 CD1 ILE A 29 -7.231 10.605 4.744 1.00 0.00 C ATOM 0 H ILE A 29 -3.926 10.716 2.567 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.351 13.158 2.036 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.711 11.664 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.281 11.831 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.150 10.496 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.469 13.048 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.106 14.037 5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.618 13.973 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.027 9.955 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.507 10.013 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.656 11.369 5.395 1.00 0.00 H new ATOM 478 N MET A 30 -2.373 13.203 3.404 1.00 0.00 N ATOM 479 CA MET A 30 -1.267 14.072 3.791 1.00 0.00 C ATOM 480 C MET A 30 -0.974 15.080 2.685 1.00 0.00 C ATOM 481 O MET A 30 -0.753 16.263 2.949 1.00 0.00 O ATOM 482 CB MET A 30 -0.015 13.244 4.089 1.00 0.00 C ATOM 483 CG MET A 30 1.174 14.080 4.537 1.00 0.00 C ATOM 484 SD MET A 30 2.658 13.092 4.804 1.00 0.00 S ATOM 485 CE MET A 30 2.114 12.005 6.120 1.00 0.00 C ATOM 0 H MET A 30 -2.141 12.210 3.379 1.00 0.00 H new ATOM 0 HA MET A 30 -1.553 14.612 4.694 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.248 12.514 4.864 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.261 12.684 3.196 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.380 14.842 3.786 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.919 14.602 5.459 1.00 0.00 H new ATOM 0 HE1 MET A 30 2.966 11.733 6.743 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.368 12.516 6.729 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.676 11.104 5.690 1.00 0.00 H new ATOM 495 N LEU A 31 -0.980 14.600 1.445 1.00 0.00 N ATOM 496 CA LEU A 31 -0.726 15.454 0.293 1.00 0.00 C ATOM 497 C LEU A 31 -1.985 16.232 -0.075 1.00 0.00 C ATOM 498 O LEU A 31 -1.911 17.311 -0.664 1.00 0.00 O ATOM 499 CB LEU A 31 -0.264 14.613 -0.899 1.00 0.00 C ATOM 500 CG LEU A 31 0.080 15.408 -2.161 1.00 0.00 C ATOM 501 CD1 LEU A 31 1.334 16.240 -1.944 1.00 0.00 C ATOM 502 CD2 LEU A 31 0.256 14.469 -3.345 1.00 0.00 C ATOM 0 H LEU A 31 -1.158 13.623 1.214 1.00 0.00 H new ATOM 0 HA LEU A 31 0.062 16.161 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.613 14.038 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.047 13.895 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.744 16.087 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.562 16.798 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.171 16.937 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.169 15.583 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.500 15.048 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.063 13.767 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.669 13.918 -3.513 1.00 0.00 H new ATOM 514 N TRP A 32 -3.138 15.673 0.280 1.00 0.00 N ATOM 515 CA TRP A 32 -4.418 16.308 -0.005 1.00 0.00 C ATOM 516 C TRP A 32 -4.528 17.646 0.719 1.00 0.00 C ATOM 517 O TRP A 32 -5.179 18.574 0.237 1.00 0.00 O ATOM 518 CB TRP A 32 -5.568 15.386 0.413 1.00 0.00 C ATOM 519 CG TRP A 32 -6.927 15.973 0.171 1.00 0.00 C ATOM 520 CD1 TRP A 32 -7.444 16.385 -1.025 1.00 0.00 C ATOM 521 CD2 TRP A 32 -7.946 16.209 1.150 1.00 0.00 C ATOM 522 NE1 TRP A 32 -8.718 16.865 -0.847 1.00 0.00 N ATOM 523 CE2 TRP A 32 -9.049 16.767 0.478 1.00 0.00 C ATOM 524 CE3 TRP A 32 -8.031 16.001 2.530 1.00 0.00 C ATOM 525 CZ2 TRP A 32 -10.223 17.122 1.139 1.00 0.00 C ATOM 526 CZ3 TRP A 32 -9.197 16.354 3.185 1.00 0.00 C ATOM 527 CH2 TRP A 32 -10.279 16.908 2.489 1.00 0.00 C ATOM 0 H TRP A 32 -3.211 14.780 0.767 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.481 16.490 -1.078 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.485 14.446 -0.132 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.467 15.150 1.472 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.926 16.340 -1.972 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -9.320 17.235 -1.583 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -7.202 15.573 3.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.058 17.550 0.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.274 16.200 4.251 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.176 17.172 3.029 1.00 0.00 H new ATOM 538 N GLN A 33 -3.885 17.740 1.878 1.00 0.00 N ATOM 539 CA GLN A 33 -3.905 18.965 2.670 1.00 0.00 C ATOM 540 C GLN A 33 -2.573 19.704 2.563 1.00 0.00 C ATOM 541 O GLN A 33 -2.358 20.715 3.233 1.00 0.00 O ATOM 542 CB GLN A 33 -4.214 18.647 4.134 1.00 0.00 C ATOM 543 CG GLN A 33 -5.616 18.100 4.358 1.00 0.00 C ATOM 544 CD GLN A 33 -6.699 19.077 3.939 1.00 0.00 C ATOM 545 OE1 GLN A 33 -7.157 19.894 4.737 1.00 0.00 O ATOM 546 NE2 GLN A 33 -7.116 18.994 2.680 1.00 0.00 N ATOM 0 H GLN A 33 -3.343 16.981 2.291 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.689 19.611 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.488 17.921 4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.087 19.552 4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.733 17.172 3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.742 17.855 5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.708 18.301 2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.844 19.623 2.341 1.00 0.00 H new ATOM 555 N LYS A 34 -1.681 19.192 1.719 1.00 0.00 N ATOM 556 CA LYS A 34 -0.374 19.807 1.519 1.00 0.00 C ATOM 557 C LYS A 34 -0.410 20.764 0.330 1.00 0.00 C ATOM 558 O LYS A 34 0.202 21.832 0.360 1.00 0.00 O ATOM 559 CB LYS A 34 0.694 18.733 1.293 1.00 0.00 C ATOM 560 CG LYS A 34 2.100 19.295 1.140 1.00 0.00 C ATOM 561 CD LYS A 34 3.128 18.191 0.943 1.00 0.00 C ATOM 562 CE LYS A 34 3.275 17.330 2.190 1.00 0.00 C ATOM 563 NZ LYS A 34 4.222 16.199 1.976 1.00 0.00 N ATOM 0 H LYS A 34 -1.841 18.352 1.163 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.121 20.371 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.679 18.036 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.440 18.163 0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.129 19.976 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.357 19.878 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.833 17.565 0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.092 18.632 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.627 17.946 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.300 16.937 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.294 15.637 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.874 15.596 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.160 16.574 1.727 1.00 0.00 H new ATOM 577 N LYS A 35 -1.133 20.368 -0.713 1.00 0.00 N ATOM 578 CA LYS A 35 -1.261 21.189 -1.911 1.00 0.00 C ATOM 579 C LYS A 35 -2.714 21.622 -2.117 1.00 0.00 C ATOM 580 O LYS A 35 -3.597 20.779 -2.281 1.00 0.00 O ATOM 581 CB LYS A 35 -0.774 20.416 -3.139 1.00 0.00 C ATOM 582 CG LYS A 35 0.724 20.145 -3.139 1.00 0.00 C ATOM 583 CD LYS A 35 1.534 21.432 -3.193 1.00 0.00 C ATOM 584 CE LYS A 35 1.287 22.199 -4.483 1.00 0.00 C ATOM 585 NZ LYS A 35 2.180 23.384 -4.605 1.00 0.00 N ATOM 0 H LYS A 35 -1.639 19.483 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.645 22.079 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.306 19.466 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.032 20.978 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.992 19.585 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.980 19.519 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.276 22.061 -2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.595 21.198 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.444 21.537 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.247 22.523 -4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.980 23.879 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.012 24.029 -3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.172 23.073 -4.597 1.00 0.00 H new ATOM 599 N PRO A 36 -2.989 22.941 -2.110 1.00 0.00 N ATOM 600 CA PRO A 36 -4.348 23.462 -2.297 1.00 0.00 C ATOM 601 C PRO A 36 -4.940 23.052 -3.642 1.00 0.00 C ATOM 602 O PRO A 36 -4.212 22.701 -4.569 1.00 0.00 O ATOM 603 CB PRO A 36 -4.173 24.985 -2.232 1.00 0.00 C ATOM 604 CG PRO A 36 -2.867 25.197 -1.545 1.00 0.00 C ATOM 605 CD PRO A 36 -2.009 24.026 -1.923 1.00 0.00 C ATOM 0 HA PRO A 36 -5.036 23.073 -1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.170 25.424 -3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.989 25.452 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.408 26.135 -1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.998 25.252 -0.464 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.442 24.219 -2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.287 23.787 -1.143 1.00 0.00 H new ATOM 613 N ARG A 37 -6.266 23.097 -3.739 1.00 0.00 N ATOM 614 CA ARG A 37 -6.954 22.728 -4.970 1.00 0.00 C ATOM 615 C ARG A 37 -7.109 23.937 -5.888 1.00 0.00 C ATOM 616 O ARG A 37 -7.341 25.055 -5.425 1.00 0.00 O ATOM 617 CB ARG A 37 -8.328 22.132 -4.654 1.00 0.00 C ATOM 618 CG ARG A 37 -9.057 21.601 -5.877 1.00 0.00 C ATOM 619 CD ARG A 37 -10.408 21.007 -5.509 1.00 0.00 C ATOM 620 NE ARG A 37 -10.281 19.922 -4.540 1.00 0.00 N ATOM 621 CZ ARG A 37 -11.313 19.227 -4.070 1.00 0.00 C ATOM 622 NH1 ARG A 37 -12.546 19.502 -4.478 1.00 0.00 N ATOM 623 NH2 ARG A 37 -11.111 18.255 -3.191 1.00 0.00 N ATOM 0 H ARG A 37 -6.884 23.385 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.352 21.978 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.207 21.323 -3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.944 22.894 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.197 22.408 -6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.446 20.842 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.048 21.788 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.898 20.635 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.348 19.684 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.705 20.249 -5.154 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.335 18.967 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.165 18.041 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.902 17.721 -2.830 1.00 0.00 H new ATOM 637 N TYR A 38 -6.982 23.703 -7.189 1.00 0.00 N ATOM 638 CA TYR A 38 -7.105 24.771 -8.175 1.00 0.00 C ATOM 639 C TYR A 38 -7.751 24.254 -9.456 1.00 0.00 C ATOM 640 O TYR A 38 -7.465 23.141 -9.898 1.00 0.00 O ATOM 641 CB TYR A 38 -5.731 25.367 -8.486 1.00 0.00 C ATOM 642 CG TYR A 38 -5.786 26.566 -9.406 1.00 0.00 C ATOM 643 CD1 TYR A 38 -6.113 27.824 -8.918 1.00 0.00 C ATOM 644 CD2 TYR A 38 -5.511 26.440 -10.762 1.00 0.00 C ATOM 645 CE1 TYR A 38 -6.166 28.923 -9.754 1.00 0.00 C ATOM 646 CE2 TYR A 38 -5.561 27.534 -11.605 1.00 0.00 C ATOM 647 CZ TYR A 38 -5.889 28.773 -11.095 1.00 0.00 C ATOM 648 OH TYR A 38 -5.939 29.866 -11.930 1.00 0.00 O ATOM 0 H TYR A 38 -6.794 22.783 -7.586 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.743 25.549 -7.756 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.250 25.658 -7.552 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.105 24.599 -8.941 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.330 27.946 -7.867 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.254 25.471 -11.164 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.423 29.894 -9.358 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.345 27.420 -12.657 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.716 29.590 -12.844 1.00 0.00 H new ATOM 658 N GLU A 39 -8.621 25.071 -10.046 1.00 0.00 N ATOM 659 CA GLU A 39 -9.314 24.703 -11.278 1.00 0.00 C ATOM 660 C GLU A 39 -10.099 23.406 -11.100 1.00 0.00 C ATOM 661 O GLU A 39 -9.555 22.312 -11.266 1.00 0.00 O ATOM 662 CB GLU A 39 -8.314 24.555 -12.428 1.00 0.00 C ATOM 663 CG GLU A 39 -8.968 24.267 -13.769 1.00 0.00 C ATOM 664 CD GLU A 39 -7.954 24.070 -14.880 1.00 0.00 C ATOM 665 OE1 GLU A 39 -7.556 25.076 -15.503 1.00 0.00 O ATOM 666 OE2 GLU A 39 -7.561 22.911 -15.125 1.00 0.00 O ATOM 667 OXT GLU A 39 -11.302 23.510 -10.781 1.00 0.00 O ATOM 0 H GLU A 39 -8.863 25.995 -9.689 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.018 25.500 -11.518 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.727 25.470 -12.508 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.618 23.750 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.586 23.374 -13.683 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.632 25.091 -14.030 1.00 0.00 H new TER 674 GLU A 39 ATOM 675 N GLY B 1 -16.390 -20.848 -7.193 1.00 0.00 N ATOM 676 CA GLY B 1 -15.498 -21.446 -6.215 1.00 0.00 C ATOM 677 C GLY B 1 -14.180 -21.882 -6.820 1.00 0.00 C ATOM 678 O GLY B 1 -13.921 -23.077 -6.967 1.00 0.00 O ATOM 0 H1 GLY B 1 -17.277 -20.567 -6.728 1.00 0.00 H new ATOM 0 H2 GLY B 1 -15.937 -20.010 -7.609 1.00 0.00 H new ATOM 0 H3 GLY B 1 -16.596 -21.538 -7.943 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -15.308 -20.729 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -15.988 -22.307 -5.761 1.00 0.00 H new ATOM 684 N HIS B 2 -13.345 -20.910 -7.176 1.00 0.00 N ATOM 685 CA HIS B 2 -12.045 -21.195 -7.770 1.00 0.00 C ATOM 686 C HIS B 2 -10.920 -20.863 -6.796 1.00 0.00 C ATOM 687 O HIS B 2 -10.795 -19.726 -6.340 1.00 0.00 O ATOM 688 CB HIS B 2 -11.869 -20.398 -9.065 1.00 0.00 C ATOM 689 CG HIS B 2 -12.922 -20.682 -10.090 1.00 0.00 C ATOM 690 ND1 HIS B 2 -12.694 -21.458 -11.209 1.00 0.00 N ATOM 691 CD2 HIS B 2 -14.216 -20.288 -10.166 1.00 0.00 C ATOM 692 CE1 HIS B 2 -13.802 -21.528 -11.927 1.00 0.00 C ATOM 693 NE2 HIS B 2 -14.739 -20.827 -11.316 1.00 0.00 N ATOM 0 H HIS B 2 -13.547 -19.917 -7.063 1.00 0.00 H new ATOM 0 HA HIS B 2 -12.000 -22.260 -7.999 1.00 0.00 H new ATOM 0 HB2 HIS B 2 -11.879 -19.333 -8.831 1.00 0.00 H new ATOM 0 HB3 HIS B 2 -10.890 -20.622 -9.490 1.00 0.00 H new ATOM 0 HD2 HIS B 2 -14.739 -19.666 -9.455 1.00 0.00 H new ATOM 0 HE1 HIS B 2 -13.920 -22.067 -12.855 1.00 0.00 H new ATOM 0 HE2 HIS B 2 -15.697 -20.705 -11.645 1.00 0.00 H new ATOM 702 N SER B 3 -10.101 -21.864 -6.477 1.00 0.00 N ATOM 703 CA SER B 3 -8.984 -21.678 -5.557 1.00 0.00 C ATOM 704 C SER B 3 -7.665 -21.594 -6.317 1.00 0.00 C ATOM 705 O SER B 3 -7.422 -22.365 -7.246 1.00 0.00 O ATOM 706 CB SER B 3 -8.930 -22.826 -4.545 1.00 0.00 C ATOM 707 OG SER B 3 -7.849 -22.661 -3.641 1.00 0.00 O ATOM 0 H SER B 3 -10.191 -22.812 -6.843 1.00 0.00 H new ATOM 0 HA SER B 3 -9.138 -20.740 -5.023 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.868 -22.871 -3.991 1.00 0.00 H new ATOM 0 HB3 SER B 3 -8.826 -23.774 -5.072 1.00 0.00 H new ATOM 0 HG SER B 3 -7.838 -23.406 -3.005 1.00 0.00 H new ATOM 713 N LEU B 4 -6.816 -20.653 -5.916 1.00 0.00 N ATOM 714 CA LEU B 4 -5.521 -20.467 -6.561 1.00 0.00 C ATOM 715 C LEU B 4 -4.440 -21.293 -5.864 1.00 0.00 C ATOM 716 O LEU B 4 -4.553 -21.593 -4.675 1.00 0.00 O ATOM 717 CB LEU B 4 -5.132 -18.986 -6.553 1.00 0.00 C ATOM 718 CG LEU B 4 -5.630 -18.175 -7.753 1.00 0.00 C ATOM 719 CD1 LEU B 4 -7.149 -18.193 -7.829 1.00 0.00 C ATOM 720 CD2 LEU B 4 -5.117 -16.746 -7.673 1.00 0.00 C ATOM 0 H LEU B 4 -7.001 -20.008 -5.148 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.605 -20.809 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.518 -18.530 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -4.045 -18.912 -6.511 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.242 -18.636 -8.661 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -7.477 -17.610 -8.690 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.496 -19.221 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -7.564 -17.761 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -5.479 -16.181 -8.532 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -5.477 -16.281 -6.755 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -4.027 -16.750 -7.674 1.00 0.00 H new ATOM 732 N PRO B 5 -3.374 -21.674 -6.597 1.00 0.00 N ATOM 733 CA PRO B 5 -2.279 -22.470 -6.035 1.00 0.00 C ATOM 734 C PRO B 5 -1.478 -21.693 -4.994 1.00 0.00 C ATOM 735 O PRO B 5 -1.643 -20.483 -4.848 1.00 0.00 O ATOM 736 CB PRO B 5 -1.408 -22.798 -7.251 1.00 0.00 C ATOM 737 CG PRO B 5 -1.710 -21.724 -8.237 1.00 0.00 C ATOM 738 CD PRO B 5 -3.150 -21.354 -8.020 1.00 0.00 C ATOM 0 HA PRO B 5 -2.645 -23.354 -5.512 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -0.350 -22.808 -6.989 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -1.646 -23.783 -7.654 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -1.059 -20.863 -8.087 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -1.546 -22.073 -9.256 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -3.330 -20.299 -8.228 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -3.814 -21.924 -8.670 1.00 0.00 H new ATOM 746 N PHE B 6 -0.614 -22.398 -4.270 1.00 0.00 N ATOM 747 CA PHE B 6 0.209 -21.771 -3.242 1.00 0.00 C ATOM 748 C PHE B 6 1.293 -20.896 -3.868 1.00 0.00 C ATOM 749 O PHE B 6 1.876 -20.042 -3.200 1.00 0.00 O ATOM 750 CB PHE B 6 0.848 -22.840 -2.348 1.00 0.00 C ATOM 751 CG PHE B 6 2.020 -23.542 -2.978 1.00 0.00 C ATOM 752 CD1 PHE B 6 1.855 -24.317 -4.116 1.00 0.00 C ATOM 753 CD2 PHE B 6 3.287 -23.428 -2.428 1.00 0.00 C ATOM 754 CE1 PHE B 6 2.933 -24.963 -4.693 1.00 0.00 C ATOM 755 CE2 PHE B 6 4.367 -24.072 -3.002 1.00 0.00 C ATOM 756 CZ PHE B 6 4.190 -24.840 -4.134 1.00 0.00 C ATOM 0 H PHE B 6 -0.466 -23.402 -4.376 1.00 0.00 H new ATOM 0 HA PHE B 6 -0.435 -21.136 -2.633 1.00 0.00 H new ATOM 0 HB2 PHE B 6 1.173 -22.374 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE B 6 0.092 -23.580 -2.086 1.00 0.00 H new ATOM 0 HD1 PHE B 6 0.874 -24.417 -4.556 1.00 0.00 H new ATOM 0 HD2 PHE B 6 3.432 -22.829 -1.541 1.00 0.00 H new ATOM 0 HE1 PHE B 6 2.792 -25.563 -5.580 1.00 0.00 H new ATOM 0 HE2 PHE B 6 5.349 -23.974 -2.564 1.00 0.00 H new ATOM 0 HZ PHE B 6 5.033 -25.344 -4.583 1.00 0.00 H new ATOM 766 N LYS B 7 1.551 -21.112 -5.154 1.00 0.00 N ATOM 767 CA LYS B 7 2.572 -20.352 -5.870 1.00 0.00 C ATOM 768 C LYS B 7 2.260 -18.858 -5.870 1.00 0.00 C ATOM 769 O LYS B 7 3.096 -18.043 -5.482 1.00 0.00 O ATOM 770 CB LYS B 7 2.696 -20.861 -7.308 1.00 0.00 C ATOM 771 CG LYS B 7 3.756 -20.136 -8.122 1.00 0.00 C ATOM 772 CD LYS B 7 3.838 -20.677 -9.541 1.00 0.00 C ATOM 773 CE LYS B 7 4.409 -22.086 -9.573 1.00 0.00 C ATOM 774 NZ LYS B 7 4.521 -22.607 -10.963 1.00 0.00 N ATOM 0 H LYS B 7 1.067 -21.807 -5.723 1.00 0.00 H new ATOM 0 HA LYS B 7 3.520 -20.497 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS B 7 2.930 -21.925 -7.289 1.00 0.00 H new ATOM 0 HB3 LYS B 7 1.732 -20.755 -7.806 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.528 -19.070 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS B 7 4.725 -20.242 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.844 -20.677 -9.989 1.00 0.00 H new ATOM 0 HD3 LYS B 7 4.460 -20.018 -10.146 1.00 0.00 H new ATOM 0 HE2 LYS B 7 5.393 -22.090 -9.103 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.773 -22.749 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 4.914 -23.570 -10.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 3.579 -22.627 -11.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 5.148 -21.989 -11.516 1.00 0.00 H new ATOM 788 N VAL B 8 1.053 -18.504 -6.306 1.00 0.00 N ATOM 789 CA VAL B 8 0.643 -17.105 -6.356 1.00 0.00 C ATOM 790 C VAL B 8 0.719 -16.457 -4.976 1.00 0.00 C ATOM 791 O VAL B 8 1.049 -15.277 -4.855 1.00 0.00 O ATOM 792 CB VAL B 8 -0.787 -16.948 -6.914 1.00 0.00 C ATOM 793 CG1 VAL B 8 -0.870 -17.486 -8.335 1.00 0.00 C ATOM 794 CG2 VAL B 8 -1.798 -17.644 -6.016 1.00 0.00 C ATOM 0 H VAL B 8 0.345 -19.164 -6.628 1.00 0.00 H new ATOM 0 HA VAL B 8 1.337 -16.601 -7.028 1.00 0.00 H new ATOM 0 HB VAL B 8 -1.028 -15.885 -6.935 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.886 -17.366 -8.711 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.180 -16.935 -8.974 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.604 -18.543 -8.340 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.799 -17.519 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.560 -18.706 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -1.761 -17.206 -5.019 1.00 0.00 H new ATOM 804 N VAL B 9 0.412 -17.232 -3.939 1.00 0.00 N ATOM 805 CA VAL B 9 0.445 -16.728 -2.569 1.00 0.00 C ATOM 806 C VAL B 9 1.857 -16.317 -2.163 1.00 0.00 C ATOM 807 O VAL B 9 2.064 -15.240 -1.605 1.00 0.00 O ATOM 808 CB VAL B 9 -0.067 -17.779 -1.565 1.00 0.00 C ATOM 809 CG1 VAL B 9 -0.412 -17.126 -0.237 1.00 0.00 C ATOM 810 CG2 VAL B 9 -1.269 -18.523 -2.125 1.00 0.00 C ATOM 0 H VAL B 9 0.138 -18.211 -4.021 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.211 -15.857 -2.545 1.00 0.00 H new ATOM 0 HB VAL B 9 0.730 -18.503 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.772 -17.884 0.459 1.00 0.00 H new ATOM 0 HG12 VAL B 9 0.477 -16.648 0.175 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -1.189 -16.377 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -1.612 -19.259 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -2.072 -17.815 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -0.986 -19.029 -3.048 1.00 0.00 H new ATOM 820 N VAL B 10 2.825 -17.186 -2.444 1.00 0.00 N ATOM 821 CA VAL B 10 4.220 -16.921 -2.106 1.00 0.00 C ATOM 822 C VAL B 10 4.739 -15.677 -2.823 1.00 0.00 C ATOM 823 O VAL B 10 5.279 -14.769 -2.192 1.00 0.00 O ATOM 824 CB VAL B 10 5.120 -18.121 -2.460 1.00 0.00 C ATOM 825 CG1 VAL B 10 6.582 -17.811 -2.163 1.00 0.00 C ATOM 826 CG2 VAL B 10 4.672 -19.363 -1.703 1.00 0.00 C ATOM 0 H VAL B 10 2.668 -18.082 -2.906 1.00 0.00 H new ATOM 0 HA VAL B 10 4.257 -16.753 -1.030 1.00 0.00 H new ATOM 0 HB VAL B 10 5.026 -18.313 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL B 10 7.197 -18.673 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL B 10 6.898 -16.950 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.698 -17.587 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL B 10 5.318 -20.201 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL B 10 4.734 -19.178 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL B 10 3.643 -19.601 -1.971 1.00 0.00 H new ATOM 836 N ILE B 11 4.572 -15.644 -4.142 1.00 0.00 N ATOM 837 CA ILE B 11 5.028 -14.510 -4.940 1.00 0.00 C ATOM 838 C ILE B 11 4.354 -13.217 -4.493 1.00 0.00 C ATOM 839 O ILE B 11 4.977 -12.156 -4.481 1.00 0.00 O ATOM 840 CB ILE B 11 4.759 -14.732 -6.443 1.00 0.00 C ATOM 841 CG1 ILE B 11 5.480 -15.992 -6.932 1.00 0.00 C ATOM 842 CG2 ILE B 11 5.202 -13.516 -7.244 1.00 0.00 C ATOM 843 CD1 ILE B 11 5.189 -16.336 -8.379 1.00 0.00 C ATOM 0 H ILE B 11 4.126 -16.387 -4.680 1.00 0.00 H new ATOM 0 HA ILE B 11 6.104 -14.426 -4.784 1.00 0.00 H new ATOM 0 HB ILE B 11 3.688 -14.870 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE B 11 6.554 -15.856 -6.809 1.00 0.00 H new ATOM 0 HG13 ILE B 11 5.191 -16.833 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE B 11 5.006 -13.687 -8.303 1.00 0.00 H new ATOM 0 HG22 ILE B 11 4.649 -12.639 -6.909 1.00 0.00 H new ATOM 0 HG23 ILE B 11 6.269 -13.351 -7.094 1.00 0.00 H new ATOM 0 HD11 ILE B 11 5.733 -17.239 -8.655 1.00 0.00 H new ATOM 0 HD12 ILE B 11 4.119 -16.504 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.504 -15.512 -9.019 1.00 0.00 H new ATOM 855 N SER B 12 3.079 -13.310 -4.125 1.00 0.00 N ATOM 856 CA SER B 12 2.326 -12.141 -3.678 1.00 0.00 C ATOM 857 C SER B 12 2.820 -11.656 -2.321 1.00 0.00 C ATOM 858 O SER B 12 2.899 -10.453 -2.071 1.00 0.00 O ATOM 859 CB SER B 12 0.832 -12.463 -3.600 1.00 0.00 C ATOM 860 OG SER B 12 0.286 -12.681 -4.889 1.00 0.00 O ATOM 0 H SER B 12 2.547 -14.180 -4.127 1.00 0.00 H new ATOM 0 HA SER B 12 2.483 -11.346 -4.408 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.680 -13.349 -2.983 1.00 0.00 H new ATOM 0 HB3 SER B 12 0.305 -11.642 -3.113 1.00 0.00 H new ATOM 0 HG SER B 12 0.446 -13.609 -5.159 1.00 0.00 H new ATOM 866 N ALA B 13 3.146 -12.600 -1.446 1.00 0.00 N ATOM 867 CA ALA B 13 3.623 -12.273 -0.108 1.00 0.00 C ATOM 868 C ALA B 13 4.964 -11.546 -0.154 1.00 0.00 C ATOM 869 O ALA B 13 5.106 -10.451 0.390 1.00 0.00 O ATOM 870 CB ALA B 13 3.738 -13.537 0.732 1.00 0.00 C ATOM 0 H ALA B 13 3.089 -13.600 -1.640 1.00 0.00 H new ATOM 0 HA ALA B 13 2.896 -11.603 0.351 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.095 -13.280 1.729 1.00 0.00 H new ATOM 0 HB2 ALA B 13 2.761 -14.013 0.808 1.00 0.00 H new ATOM 0 HB3 ALA B 13 4.441 -14.224 0.261 1.00 0.00 H new ATOM 876 N ILE B 14 5.945 -12.161 -0.811 1.00 0.00 N ATOM 877 CA ILE B 14 7.276 -11.575 -0.920 1.00 0.00 C ATOM 878 C ILE B 14 7.247 -10.250 -1.679 1.00 0.00 C ATOM 879 O ILE B 14 7.915 -9.293 -1.289 1.00 0.00 O ATOM 880 CB ILE B 14 8.263 -12.539 -1.612 1.00 0.00 C ATOM 881 CG1 ILE B 14 9.668 -11.931 -1.635 1.00 0.00 C ATOM 882 CG2 ILE B 14 7.793 -12.864 -3.024 1.00 0.00 C ATOM 883 CD1 ILE B 14 10.749 -12.913 -2.029 1.00 0.00 C ATOM 0 H ILE B 14 5.842 -13.064 -1.275 1.00 0.00 H new ATOM 0 HA ILE B 14 7.618 -11.389 0.098 1.00 0.00 H new ATOM 0 HB ILE B 14 8.298 -13.469 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE B 14 9.680 -11.092 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE B 14 9.897 -11.529 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE B 14 8.502 -13.545 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE B 14 6.811 -13.335 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE B 14 7.730 -11.945 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE B 14 11.716 -12.411 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE B 14 10.765 -13.740 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE B 14 10.545 -13.297 -3.029 1.00 0.00 H new ATOM 895 N LEU B 15 6.472 -10.196 -2.759 1.00 0.00 N ATOM 896 CA LEU B 15 6.369 -8.982 -3.562 1.00 0.00 C ATOM 897 C LEU B 15 5.713 -7.861 -2.765 1.00 0.00 C ATOM 898 O LEU B 15 6.044 -6.687 -2.940 1.00 0.00 O ATOM 899 CB LEU B 15 5.569 -9.252 -4.840 1.00 0.00 C ATOM 900 CG LEU B 15 5.390 -8.048 -5.771 1.00 0.00 C ATOM 901 CD1 LEU B 15 6.724 -7.627 -6.370 1.00 0.00 C ATOM 902 CD2 LEU B 15 4.391 -8.374 -6.871 1.00 0.00 C ATOM 0 H LEU B 15 5.908 -10.976 -3.097 1.00 0.00 H new ATOM 0 HA LEU B 15 7.377 -8.670 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.063 -10.049 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.583 -9.623 -4.560 1.00 0.00 H new ATOM 0 HG LEU B 15 5.002 -7.215 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU B 15 6.574 -6.771 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU B 15 7.412 -7.354 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU B 15 7.143 -8.455 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.274 -7.509 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.754 -9.222 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.428 -8.625 -6.426 1.00 0.00 H new ATOM 914 N ALA B 16 4.785 -8.230 -1.889 1.00 0.00 N ATOM 915 CA ALA B 16 4.080 -7.258 -1.064 1.00 0.00 C ATOM 916 C ALA B 16 5.031 -6.578 -0.083 1.00 0.00 C ATOM 917 O ALA B 16 4.894 -5.389 0.205 1.00 0.00 O ATOM 918 CB ALA B 16 2.933 -7.927 -0.323 1.00 0.00 C ATOM 0 H ALA B 16 4.504 -9.198 -1.732 1.00 0.00 H new ATOM 0 HA ALA B 16 3.670 -6.489 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA B 16 2.415 -7.189 0.289 1.00 0.00 H new ATOM 0 HB2 ALA B 16 2.235 -8.355 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA B 16 3.325 -8.718 0.316 1.00 0.00 H new ATOM 924 N LEU B 17 5.990 -7.341 0.436 1.00 0.00 N ATOM 925 CA LEU B 17 6.967 -6.798 1.374 1.00 0.00 C ATOM 926 C LEU B 17 7.955 -5.890 0.652 1.00 0.00 C ATOM 927 O LEU B 17 8.426 -4.899 1.211 1.00 0.00 O ATOM 928 CB LEU B 17 7.715 -7.924 2.091 1.00 0.00 C ATOM 929 CG LEU B 17 7.112 -8.348 3.432 1.00 0.00 C ATOM 930 CD1 LEU B 17 5.739 -8.968 3.232 1.00 0.00 C ATOM 931 CD2 LEU B 17 8.036 -9.318 4.148 1.00 0.00 C ATOM 0 H LEU B 17 6.111 -8.331 0.224 1.00 0.00 H new ATOM 0 HA LEU B 17 6.430 -6.210 2.118 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.750 -8.793 1.434 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.745 -7.608 2.256 1.00 0.00 H new ATOM 0 HG LEU B 17 6.998 -7.459 4.052 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.328 -9.262 4.198 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.076 -8.241 2.762 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.826 -9.846 2.592 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.591 -9.609 5.100 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.183 -10.204 3.530 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.998 -8.838 4.329 1.00 0.00 H new ATOM 943 N VAL B 18 8.262 -6.236 -0.593 1.00 0.00 N ATOM 944 CA VAL B 18 9.188 -5.449 -1.396 1.00 0.00 C ATOM 945 C VAL B 18 8.599 -4.080 -1.720 1.00 0.00 C ATOM 946 O VAL B 18 9.276 -3.060 -1.601 1.00 0.00 O ATOM 947 CB VAL B 18 9.558 -6.170 -2.709 1.00 0.00 C ATOM 948 CG1 VAL B 18 10.401 -5.272 -3.603 1.00 0.00 C ATOM 949 CG2 VAL B 18 10.291 -7.471 -2.412 1.00 0.00 C ATOM 0 H VAL B 18 7.883 -7.056 -1.067 1.00 0.00 H new ATOM 0 HA VAL B 18 10.094 -5.322 -0.803 1.00 0.00 H new ATOM 0 HB VAL B 18 8.636 -6.405 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL B 18 10.649 -5.803 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL B 18 9.840 -4.370 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL B 18 11.319 -4.999 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.545 -7.968 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.204 -7.256 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.650 -8.122 -1.818 1.00 0.00 H new ATOM 959 N VAL B 19 7.331 -4.065 -2.126 1.00 0.00 N ATOM 960 CA VAL B 19 6.656 -2.819 -2.471 1.00 0.00 C ATOM 961 C VAL B 19 6.367 -1.979 -1.227 1.00 0.00 C ATOM 962 O VAL B 19 6.354 -0.752 -1.292 1.00 0.00 O ATOM 963 CB VAL B 19 5.340 -3.077 -3.233 1.00 0.00 C ATOM 964 CG1 VAL B 19 4.401 -3.944 -2.410 1.00 0.00 C ATOM 965 CG2 VAL B 19 4.668 -1.764 -3.605 1.00 0.00 C ATOM 0 H VAL B 19 6.753 -4.900 -2.223 1.00 0.00 H new ATOM 0 HA VAL B 19 7.334 -2.267 -3.122 1.00 0.00 H new ATOM 0 HB VAL B 19 5.580 -3.612 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL B 19 3.480 -4.113 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL B 19 4.879 -4.901 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL B 19 4.170 -3.441 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL B 19 3.742 -1.969 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL B 19 4.446 -1.200 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL B 19 5.335 -1.181 -4.241 1.00 0.00 H new ATOM 975 N LEU B 20 6.136 -2.641 -0.095 1.00 0.00 N ATOM 976 CA LEU B 20 5.855 -1.932 1.151 1.00 0.00 C ATOM 977 C LEU B 20 7.046 -1.071 1.554 1.00 0.00 C ATOM 978 O LEU B 20 6.883 -0.016 2.168 1.00 0.00 O ATOM 979 CB LEU B 20 5.516 -2.912 2.274 1.00 0.00 C ATOM 980 CG LEU B 20 5.137 -2.256 3.605 1.00 0.00 C ATOM 981 CD1 LEU B 20 3.970 -1.293 3.421 1.00 0.00 C ATOM 982 CD2 LEU B 20 4.797 -3.318 4.640 1.00 0.00 C ATOM 0 H LEU B 20 6.138 -3.658 -0.015 1.00 0.00 H new ATOM 0 HA LEU B 20 4.992 -1.288 0.983 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.690 -3.545 1.948 1.00 0.00 H new ATOM 0 HB3 LEU B 20 6.373 -3.566 2.438 1.00 0.00 H new ATOM 0 HG LEU B 20 5.994 -1.685 3.963 1.00 0.00 H new ATOM 0 HD11 LEU B 20 3.718 -0.839 4.379 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.250 -0.513 2.713 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.106 -1.837 3.039 1.00 0.00 H new ATOM 0 HD21 LEU B 20 4.530 -2.837 5.581 1.00 0.00 H new ATOM 0 HD22 LEU B 20 3.957 -3.915 4.286 1.00 0.00 H new ATOM 0 HD23 LEU B 20 5.661 -3.964 4.796 1.00 0.00 H new ATOM 994 N THR B 21 8.244 -1.529 1.208 1.00 0.00 N ATOM 995 CA THR B 21 9.463 -0.797 1.524 1.00 0.00 C ATOM 996 C THR B 21 9.668 0.342 0.532 1.00 0.00 C ATOM 997 O THR B 21 10.145 1.418 0.893 1.00 0.00 O ATOM 998 CB THR B 21 10.696 -1.720 1.504 1.00 0.00 C ATOM 999 OG1 THR B 21 10.514 -2.802 2.426 1.00 0.00 O ATOM 1000 CG2 THR B 21 11.959 -0.953 1.866 1.00 0.00 C ATOM 0 H THR B 21 8.396 -2.405 0.708 1.00 0.00 H new ATOM 0 HA THR B 21 9.351 -0.392 2.530 1.00 0.00 H new ATOM 0 HB THR B 21 10.806 -2.114 0.494 1.00 0.00 H new ATOM 0 HG1 THR B 21 9.873 -3.444 2.055 1.00 0.00 H new ATOM 0 HG21 THR B 21 12.814 -1.629 1.844 1.00 0.00 H new ATOM 0 HG22 THR B 21 12.114 -0.148 1.148 1.00 0.00 H new ATOM 0 HG23 THR B 21 11.855 -0.532 2.866 1.00 0.00 H new ATOM 1008 N ILE B 22 9.299 0.096 -0.720 1.00 0.00 N ATOM 1009 CA ILE B 22 9.430 1.098 -1.771 1.00 0.00 C ATOM 1010 C ILE B 22 8.490 2.268 -1.513 1.00 0.00 C ATOM 1011 O ILE B 22 8.905 3.427 -1.536 1.00 0.00 O ATOM 1012 CB ILE B 22 9.123 0.499 -3.159 1.00 0.00 C ATOM 1013 CG1 ILE B 22 10.073 -0.664 -3.463 1.00 0.00 C ATOM 1014 CG2 ILE B 22 9.216 1.568 -4.237 1.00 0.00 C ATOM 1015 CD1 ILE B 22 11.532 -0.261 -3.548 1.00 0.00 C ATOM 0 H ILE B 22 8.906 -0.792 -1.032 1.00 0.00 H new ATOM 0 HA ILE B 22 10.462 1.448 -1.760 1.00 0.00 H new ATOM 0 HB ILE B 22 8.103 0.114 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE B 22 9.961 -1.423 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE B 22 9.778 -1.124 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE B 22 8.996 1.125 -5.208 1.00 0.00 H new ATOM 0 HG22 ILE B 22 8.496 2.359 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE B 22 10.222 1.987 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE B 22 12.140 -1.139 -3.766 1.00 0.00 H new ATOM 0 HD12 ILE B 22 11.660 0.475 -4.341 1.00 0.00 H new ATOM 0 HD13 ILE B 22 11.846 0.171 -2.598 1.00 0.00 H new ATOM 1027 N ILE B 23 7.221 1.954 -1.265 1.00 0.00 N ATOM 1028 CA ILE B 23 6.220 2.976 -0.996 1.00 0.00 C ATOM 1029 C ILE B 23 6.631 3.826 0.202 1.00 0.00 C ATOM 1030 O ILE B 23 6.331 5.018 0.266 1.00 0.00 O ATOM 1031 CB ILE B 23 4.834 2.347 -0.740 1.00 0.00 C ATOM 1032 CG1 ILE B 23 3.753 3.429 -0.707 1.00 0.00 C ATOM 1033 CG2 ILE B 23 4.835 1.552 0.556 1.00 0.00 C ATOM 1034 CD1 ILE B 23 2.343 2.876 -0.677 1.00 0.00 C ATOM 0 H ILE B 23 6.864 0.999 -1.245 1.00 0.00 H new ATOM 0 HA ILE B 23 6.152 3.612 -1.879 1.00 0.00 H new ATOM 0 HB ILE B 23 4.612 1.663 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE B 23 3.907 4.058 0.170 1.00 0.00 H new ATOM 0 HG13 ILE B 23 3.865 4.069 -1.582 1.00 0.00 H new ATOM 0 HG21 ILE B 23 3.848 1.117 0.717 1.00 0.00 H new ATOM 0 HG22 ILE B 23 5.577 0.756 0.494 1.00 0.00 H new ATOM 0 HG23 ILE B 23 5.081 2.212 1.388 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.630 3.700 -0.654 1.00 0.00 H new ATOM 0 HD12 ILE B 23 2.171 2.271 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE B 23 2.213 2.259 0.212 1.00 0.00 H new ATOM 1046 N SER B 24 7.327 3.199 1.148 1.00 0.00 N ATOM 1047 CA SER B 24 7.795 3.885 2.349 1.00 0.00 C ATOM 1048 C SER B 24 8.961 4.818 2.028 1.00 0.00 C ATOM 1049 O SER B 24 9.030 5.937 2.538 1.00 0.00 O ATOM 1050 CB SER B 24 8.222 2.865 3.404 1.00 0.00 C ATOM 1051 OG SER B 24 8.763 3.508 4.546 1.00 0.00 O ATOM 0 H SER B 24 7.580 2.212 1.105 1.00 0.00 H new ATOM 0 HA SER B 24 6.972 4.485 2.739 1.00 0.00 H new ATOM 0 HB2 SER B 24 7.365 2.259 3.696 1.00 0.00 H new ATOM 0 HB3 SER B 24 8.962 2.187 2.980 1.00 0.00 H new ATOM 0 HG SER B 24 9.027 2.834 5.207 1.00 0.00 H new ATOM 1057 N LEU B 25 9.877 4.348 1.184 1.00 0.00 N ATOM 1058 CA LEU B 25 11.041 5.139 0.799 1.00 0.00 C ATOM 1059 C LEU B 25 10.625 6.401 0.054 1.00 0.00 C ATOM 1060 O LEU B 25 11.204 7.469 0.250 1.00 0.00 O ATOM 1061 CB LEU B 25 11.987 4.309 -0.070 1.00 0.00 C ATOM 1062 CG LEU B 25 12.726 3.185 0.662 1.00 0.00 C ATOM 1063 CD1 LEU B 25 13.446 2.287 -0.331 1.00 0.00 C ATOM 1064 CD2 LEU B 25 13.712 3.762 1.668 1.00 0.00 C ATOM 0 H LEU B 25 9.835 3.424 0.755 1.00 0.00 H new ATOM 0 HA LEU B 25 11.561 5.434 1.711 1.00 0.00 H new ATOM 0 HB2 LEU B 25 11.414 3.873 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU B 25 12.724 4.976 -0.517 1.00 0.00 H new ATOM 0 HG LEU B 25 11.993 2.586 1.202 1.00 0.00 H new ATOM 0 HD11 LEU B 25 13.966 1.494 0.206 1.00 0.00 H new ATOM 0 HD12 LEU B 25 12.721 1.847 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU B 25 14.168 2.876 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU B 25 14.228 2.949 2.179 1.00 0.00 H new ATOM 0 HD22 LEU B 25 14.440 4.384 1.148 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.175 4.366 2.399 1.00 0.00 H new ATOM 1076 N ILE B 26 9.619 6.270 -0.806 1.00 0.00 N ATOM 1077 CA ILE B 26 9.119 7.401 -1.578 1.00 0.00 C ATOM 1078 C ILE B 26 8.660 8.521 -0.652 1.00 0.00 C ATOM 1079 O ILE B 26 8.889 9.699 -0.923 1.00 0.00 O ATOM 1080 CB ILE B 26 7.950 6.980 -2.491 1.00 0.00 C ATOM 1081 CG1 ILE B 26 8.414 5.911 -3.482 1.00 0.00 C ATOM 1082 CG2 ILE B 26 7.388 8.187 -3.231 1.00 0.00 C ATOM 1083 CD1 ILE B 26 7.282 5.244 -4.235 1.00 0.00 C ATOM 0 H ILE B 26 9.134 5.391 -0.985 1.00 0.00 H new ATOM 0 HA ILE B 26 9.938 7.760 -2.201 1.00 0.00 H new ATOM 0 HB ILE B 26 7.157 6.560 -1.871 1.00 0.00 H new ATOM 0 HG12 ILE B 26 9.097 6.366 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE B 26 8.978 5.150 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE B 26 6.564 7.870 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE B 26 7.027 8.920 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE B 26 8.171 8.635 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE B 26 7.689 4.499 -4.918 1.00 0.00 H new ATOM 0 HD12 ILE B 26 6.610 4.759 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE B 26 6.731 5.994 -4.803 1.00 0.00 H new ATOM 1095 N ILE B 27 8.015 8.139 0.446 1.00 0.00 N ATOM 1096 CA ILE B 27 7.521 9.102 1.424 1.00 0.00 C ATOM 1097 C ILE B 27 8.674 9.822 2.114 1.00 0.00 C ATOM 1098 O ILE B 27 8.654 11.043 2.269 1.00 0.00 O ATOM 1099 CB ILE B 27 6.660 8.411 2.496 1.00 0.00 C ATOM 1100 CG1 ILE B 27 5.529 7.617 1.841 1.00 0.00 C ATOM 1101 CG2 ILE B 27 6.099 9.437 3.471 1.00 0.00 C ATOM 1102 CD1 ILE B 27 4.892 6.602 2.765 1.00 0.00 C ATOM 0 H ILE B 27 7.822 7.165 0.681 1.00 0.00 H new ATOM 0 HA ILE B 27 6.913 9.825 0.880 1.00 0.00 H new ATOM 0 HB ILE B 27 7.290 7.717 3.053 1.00 0.00 H new ATOM 0 HG12 ILE B 27 4.763 8.310 1.492 1.00 0.00 H new ATOM 0 HG13 ILE B 27 5.918 7.103 0.962 1.00 0.00 H new ATOM 0 HG21 ILE B 27 5.493 8.931 4.222 1.00 0.00 H new ATOM 0 HG22 ILE B 27 6.920 9.961 3.960 1.00 0.00 H new ATOM 0 HG23 ILE B 27 5.482 10.154 2.930 1.00 0.00 H new ATOM 0 HD11 ILE B 27 4.098 6.075 2.235 1.00 0.00 H new ATOM 0 HD12 ILE B 27 5.645 5.886 3.094 1.00 0.00 H new ATOM 0 HD13 ILE B 27 4.473 7.112 3.632 1.00 0.00 H new ATOM 1114 N LEU B 28 9.675 9.052 2.529 1.00 0.00 N ATOM 1115 CA LEU B 28 10.840 9.602 3.213 1.00 0.00 C ATOM 1116 C LEU B 28 11.540 10.658 2.360 1.00 0.00 C ATOM 1117 O LEU B 28 11.696 11.803 2.782 1.00 0.00 O ATOM 1118 CB LEU B 28 11.820 8.481 3.567 1.00 0.00 C ATOM 1119 CG LEU B 28 13.114 8.932 4.251 1.00 0.00 C ATOM 1120 CD1 LEU B 28 12.813 9.589 5.591 1.00 0.00 C ATOM 1121 CD2 LEU B 28 14.058 7.753 4.432 1.00 0.00 C ATOM 0 H LEU B 28 9.702 8.040 2.403 1.00 0.00 H new ATOM 0 HA LEU B 28 10.495 10.083 4.128 1.00 0.00 H new ATOM 0 HB2 LEU B 28 11.313 7.770 4.219 1.00 0.00 H new ATOM 0 HB3 LEU B 28 12.079 7.946 2.653 1.00 0.00 H new ATOM 0 HG LEU B 28 13.601 9.669 3.613 1.00 0.00 H new ATOM 0 HD11 LEU B 28 13.746 9.902 6.060 1.00 0.00 H new ATOM 0 HD12 LEU B 28 12.176 10.459 5.435 1.00 0.00 H new ATOM 0 HD13 LEU B 28 12.302 8.877 6.239 1.00 0.00 H new ATOM 0 HD21 LEU B 28 14.973 8.091 4.919 1.00 0.00 H new ATOM 0 HD22 LEU B 28 13.577 6.993 5.049 1.00 0.00 H new ATOM 0 HD23 LEU B 28 14.301 7.329 3.458 1.00 0.00 H new ATOM 1133 N ILE B 29 11.962 10.264 1.161 1.00 0.00 N ATOM 1134 CA ILE B 29 12.649 11.178 0.252 1.00 0.00 C ATOM 1135 C ILE B 29 11.761 12.363 -0.117 1.00 0.00 C ATOM 1136 O ILE B 29 12.251 13.471 -0.339 1.00 0.00 O ATOM 1137 CB ILE B 29 13.098 10.459 -1.037 1.00 0.00 C ATOM 1138 CG1 ILE B 29 13.972 9.249 -0.692 1.00 0.00 C ATOM 1139 CG2 ILE B 29 13.849 11.421 -1.948 1.00 0.00 C ATOM 1140 CD1 ILE B 29 14.332 8.397 -1.891 1.00 0.00 C ATOM 0 H ILE B 29 11.841 9.319 0.797 1.00 0.00 H new ATOM 0 HA ILE B 29 13.531 11.543 0.779 1.00 0.00 H new ATOM 0 HB ILE B 29 12.213 10.106 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE B 29 14.889 9.598 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE B 29 13.450 8.631 0.038 1.00 0.00 H new ATOM 0 HG21 ILE B 29 14.159 10.898 -2.853 1.00 0.00 H new ATOM 0 HG22 ILE B 29 13.197 12.253 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE B 29 14.729 11.801 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE B 29 14.951 7.560 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE B 29 13.421 8.018 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE B 29 14.883 9.000 -2.613 1.00 0.00 H new ATOM 1152 N MET B 30 10.454 12.125 -0.181 1.00 0.00 N ATOM 1153 CA MET B 30 9.501 13.176 -0.523 1.00 0.00 C ATOM 1154 C MET B 30 9.487 14.269 0.542 1.00 0.00 C ATOM 1155 O MET B 30 9.544 15.456 0.227 1.00 0.00 O ATOM 1156 CB MET B 30 8.095 12.589 -0.682 1.00 0.00 C ATOM 1157 CG MET B 30 7.045 13.615 -1.079 1.00 0.00 C ATOM 1158 SD MET B 30 5.429 12.875 -1.381 1.00 0.00 S ATOM 1159 CE MET B 30 5.079 12.149 0.219 1.00 0.00 C ATOM 0 H MET B 30 10.031 11.214 -0.001 1.00 0.00 H new ATOM 0 HA MET B 30 9.814 13.618 -1.469 1.00 0.00 H new ATOM 0 HB2 MET B 30 8.123 11.801 -1.435 1.00 0.00 H new ATOM 0 HB3 MET B 30 7.797 12.122 0.257 1.00 0.00 H new ATOM 0 HG2 MET B 30 6.956 14.362 -0.290 1.00 0.00 H new ATOM 0 HG3 MET B 30 7.375 14.137 -1.977 1.00 0.00 H new ATOM 0 HE1 MET B 30 4.056 12.387 0.511 1.00 0.00 H new ATOM 0 HE2 MET B 30 5.197 11.067 0.161 1.00 0.00 H new ATOM 0 HE3 MET B 30 5.770 12.551 0.960 1.00 0.00 H new ATOM 1169 N LEU B 31 9.411 13.858 1.803 1.00 0.00 N ATOM 1170 CA LEU B 31 9.388 14.803 2.914 1.00 0.00 C ATOM 1171 C LEU B 31 10.780 15.378 3.163 1.00 0.00 C ATOM 1172 O LEU B 31 10.921 16.466 3.720 1.00 0.00 O ATOM 1173 CB LEU B 31 8.867 14.118 4.181 1.00 0.00 C ATOM 1174 CG LEU B 31 8.642 15.049 5.374 1.00 0.00 C ATOM 1175 CD1 LEU B 31 7.479 15.994 5.105 1.00 0.00 C ATOM 1176 CD2 LEU B 31 8.397 14.241 6.639 1.00 0.00 C ATOM 0 H LEU B 31 9.364 12.878 2.081 1.00 0.00 H new ATOM 0 HA LEU B 31 8.718 15.622 2.653 1.00 0.00 H new ATOM 0 HB2 LEU B 31 7.926 13.620 3.946 1.00 0.00 H new ATOM 0 HB3 LEU B 31 9.574 13.342 4.473 1.00 0.00 H new ATOM 0 HG LEU B 31 9.541 15.649 5.518 1.00 0.00 H new ATOM 0 HD11 LEU B 31 7.335 16.648 5.965 1.00 0.00 H new ATOM 0 HD12 LEU B 31 7.696 16.597 4.223 1.00 0.00 H new ATOM 0 HD13 LEU B 31 6.572 15.415 4.934 1.00 0.00 H new ATOM 0 HD21 LEU B 31 8.239 14.918 7.478 1.00 0.00 H new ATOM 0 HD22 LEU B 31 7.514 13.616 6.506 1.00 0.00 H new ATOM 0 HD23 LEU B 31 9.262 13.609 6.841 1.00 0.00 H new ATOM 1188 N TRP B 32 11.804 14.638 2.747 1.00 0.00 N ATOM 1189 CA TRP B 32 13.188 15.069 2.924 1.00 0.00 C ATOM 1190 C TRP B 32 13.506 16.277 2.047 1.00 0.00 C ATOM 1191 O TRP B 32 14.271 17.158 2.441 1.00 0.00 O ATOM 1192 CB TRP B 32 14.143 13.916 2.598 1.00 0.00 C ATOM 1193 CG TRP B 32 15.591 14.299 2.663 1.00 0.00 C ATOM 1194 CD1 TRP B 32 16.273 14.749 3.756 1.00 0.00 C ATOM 1195 CD2 TRP B 32 16.539 14.260 1.588 1.00 0.00 C ATOM 1196 NE1 TRP B 32 17.584 14.995 3.427 1.00 0.00 N ATOM 1197 CE2 TRP B 32 17.772 14.703 2.104 1.00 0.00 C ATOM 1198 CE3 TRP B 32 16.463 13.893 0.241 1.00 0.00 C ATOM 1199 CZ2 TRP B 32 18.919 14.789 1.318 1.00 0.00 C ATOM 1200 CZ3 TRP B 32 17.602 13.980 -0.537 1.00 0.00 C ATOM 1201 CH2 TRP B 32 18.817 14.424 0.004 1.00 0.00 C ATOM 0 H TRP B 32 11.701 13.735 2.284 1.00 0.00 H new ATOM 0 HA TRP B 32 13.321 15.363 3.965 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.961 13.097 3.294 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.919 13.542 1.599 1.00 0.00 H new ATOM 0 HD1 TRP B 32 15.844 14.891 4.737 1.00 0.00 H new ATOM 0 HE1 TRP B 32 18.301 15.339 4.066 1.00 0.00 H new ATOM 0 HE3 TRP B 32 15.532 13.548 -0.184 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 19.856 15.132 1.732 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 17.555 13.701 -1.579 1.00 0.00 H new ATOM 0 HH2 TRP B 32 19.690 14.479 -0.630 1.00 0.00 H new ATOM 1212 N GLN B 33 12.914 16.312 0.857 1.00 0.00 N ATOM 1213 CA GLN B 33 13.138 17.412 -0.076 1.00 0.00 C ATOM 1214 C GLN B 33 12.057 18.480 0.065 1.00 0.00 C ATOM 1215 O GLN B 33 11.959 19.390 -0.758 1.00 0.00 O ATOM 1216 CB GLN B 33 13.182 16.889 -1.514 1.00 0.00 C ATOM 1217 CG GLN B 33 14.424 16.066 -1.819 1.00 0.00 C ATOM 1218 CD GLN B 33 14.441 15.521 -3.235 1.00 0.00 C ATOM 1219 OE1 GLN B 33 15.014 14.464 -3.496 1.00 0.00 O ATOM 1220 NE2 GLN B 33 13.814 16.240 -4.161 1.00 0.00 N ATOM 0 H GLN B 33 12.276 15.593 0.516 1.00 0.00 H new ATOM 0 HA GLN B 33 14.099 17.868 0.164 1.00 0.00 H new ATOM 0 HB2 GLN B 33 12.297 16.280 -1.699 1.00 0.00 H new ATOM 0 HB3 GLN B 33 13.137 17.734 -2.202 1.00 0.00 H new ATOM 0 HG2 GLN B 33 15.309 16.682 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN B 33 14.485 15.236 -1.115 1.00 0.00 H new ATOM 0 HE21 GLN B 33 13.351 17.111 -3.903 1.00 0.00 H new ATOM 0 HE22 GLN B 33 13.796 15.920 -5.129 1.00 0.00 H new ATOM 1229 N LYS B 34 11.247 18.364 1.114 1.00 0.00 N ATOM 1230 CA LYS B 34 10.175 19.323 1.366 1.00 0.00 C ATOM 1231 C LYS B 34 10.179 19.778 2.822 1.00 0.00 C ATOM 1232 O LYS B 34 9.915 18.990 3.729 1.00 0.00 O ATOM 1233 CB LYS B 34 8.816 18.709 1.018 1.00 0.00 C ATOM 1234 CG LYS B 34 8.684 18.301 -0.440 1.00 0.00 C ATOM 1235 CD LYS B 34 8.719 19.510 -1.363 1.00 0.00 C ATOM 1236 CE LYS B 34 8.622 19.100 -2.824 1.00 0.00 C ATOM 1237 NZ LYS B 34 8.643 20.279 -3.734 1.00 0.00 N ATOM 0 H LYS B 34 11.313 17.615 1.803 1.00 0.00 H new ATOM 0 HA LYS B 34 10.348 20.192 0.731 1.00 0.00 H new ATOM 0 HB2 LYS B 34 8.651 17.834 1.647 1.00 0.00 H new ATOM 0 HB3 LYS B 34 8.031 19.427 1.258 1.00 0.00 H new ATOM 0 HG2 LYS B 34 9.492 17.618 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS B 34 7.749 17.759 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS B 34 7.896 20.181 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS B 34 9.642 20.066 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS B 34 9.451 18.436 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS B 34 7.703 18.535 -2.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 8.575 19.957 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 7.838 20.900 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 9.531 20.804 -3.602 1.00 0.00 H new ATOM 1251 N LYS B 35 10.482 21.055 3.038 1.00 0.00 N ATOM 1252 CA LYS B 35 10.517 21.617 4.385 1.00 0.00 C ATOM 1253 C LYS B 35 9.162 22.220 4.754 1.00 0.00 C ATOM 1254 O LYS B 35 8.415 22.656 3.878 1.00 0.00 O ATOM 1255 CB LYS B 35 11.609 22.684 4.485 1.00 0.00 C ATOM 1256 CG LYS B 35 13.012 22.139 4.272 1.00 0.00 C ATOM 1257 CD LYS B 35 14.054 23.243 4.350 1.00 0.00 C ATOM 1258 CE LYS B 35 15.462 22.693 4.197 1.00 0.00 C ATOM 1259 NZ LYS B 35 15.801 21.725 5.276 1.00 0.00 N ATOM 0 H LYS B 35 10.707 21.720 2.298 1.00 0.00 H new ATOM 0 HA LYS B 35 10.741 20.813 5.086 1.00 0.00 H new ATOM 0 HB2 LYS B 35 11.414 23.462 3.747 1.00 0.00 H new ATOM 0 HB3 LYS B 35 11.556 23.155 5.466 1.00 0.00 H new ATOM 0 HG2 LYS B 35 13.227 21.380 5.024 1.00 0.00 H new ATOM 0 HG3 LYS B 35 13.070 21.650 3.300 1.00 0.00 H new ATOM 0 HD2 LYS B 35 13.864 23.980 3.570 1.00 0.00 H new ATOM 0 HD3 LYS B 35 13.966 23.760 5.305 1.00 0.00 H new ATOM 0 HE2 LYS B 35 15.557 22.204 3.228 1.00 0.00 H new ATOM 0 HE3 LYS B 35 16.177 23.516 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 16.829 21.568 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 15.496 22.107 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 15.315 20.823 5.098 1.00 0.00 H new ATOM 1273 N PRO B 36 8.823 22.252 6.057 1.00 0.00 N ATOM 1274 CA PRO B 36 7.549 22.811 6.523 1.00 0.00 C ATOM 1275 C PRO B 36 7.473 24.317 6.308 1.00 0.00 C ATOM 1276 O PRO B 36 8.496 25.001 6.272 1.00 0.00 O ATOM 1277 CB PRO B 36 7.534 22.482 8.018 1.00 0.00 C ATOM 1278 CG PRO B 36 8.969 22.329 8.387 1.00 0.00 C ATOM 1279 CD PRO B 36 9.645 21.752 7.176 1.00 0.00 C ATOM 0 HA PRO B 36 6.699 22.398 5.979 1.00 0.00 H new ATOM 0 HB2 PRO B 36 7.060 23.277 8.594 1.00 0.00 H new ATOM 0 HB3 PRO B 36 6.975 21.568 8.217 1.00 0.00 H new ATOM 0 HG2 PRO B 36 9.407 23.289 8.659 1.00 0.00 H new ATOM 0 HG3 PRO B 36 9.083 21.671 9.249 1.00 0.00 H new ATOM 0 HD2 PRO B 36 10.679 22.086 7.096 1.00 0.00 H new ATOM 0 HD3 PRO B 36 9.663 20.663 7.206 1.00 0.00 H new ATOM 1287 N ARG B 37 6.254 24.830 6.164 1.00 0.00 N ATOM 1288 CA ARG B 37 6.050 26.258 5.954 1.00 0.00 C ATOM 1289 C ARG B 37 5.695 26.949 7.266 1.00 0.00 C ATOM 1290 O ARG B 37 5.018 26.374 8.119 1.00 0.00 O ATOM 1291 CB ARG B 37 4.945 26.494 4.921 1.00 0.00 C ATOM 1292 CG ARG B 37 4.732 27.961 4.579 1.00 0.00 C ATOM 1293 CD ARG B 37 3.651 28.136 3.525 1.00 0.00 C ATOM 1294 NE ARG B 37 2.371 27.583 3.959 1.00 0.00 N ATOM 1295 CZ ARG B 37 1.250 27.669 3.249 1.00 0.00 C ATOM 1296 NH1 ARG B 37 1.246 28.290 2.077 1.00 0.00 N ATOM 1297 NH2 ARG B 37 0.129 27.133 3.712 1.00 0.00 N ATOM 0 H ARG B 37 5.396 24.279 6.189 1.00 0.00 H new ATOM 0 HA ARG B 37 6.980 26.683 5.577 1.00 0.00 H new ATOM 0 HB2 ARG B 37 5.190 25.949 4.009 1.00 0.00 H new ATOM 0 HB3 ARG B 37 4.011 26.079 5.300 1.00 0.00 H new ATOM 0 HG2 ARG B 37 4.456 28.509 5.480 1.00 0.00 H new ATOM 0 HG3 ARG B 37 5.666 28.391 4.218 1.00 0.00 H new ATOM 0 HD2 ARG B 37 3.531 29.196 3.301 1.00 0.00 H new ATOM 0 HD3 ARG B 37 3.962 27.648 2.601 1.00 0.00 H new ATOM 0 HE ARG B 37 2.335 27.103 4.858 1.00 0.00 H new ATOM 0 HH11 ARG B 37 2.105 28.704 1.716 1.00 0.00 H new ATOM 0 HH12 ARG B 37 0.383 28.353 1.536 1.00 0.00 H new ATOM 0 HH21 ARG B 37 0.127 26.655 4.613 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -0.731 27.199 3.167 1.00 0.00 H new ATOM 1311 N TYR B 38 6.156 28.185 7.422 1.00 0.00 N ATOM 1312 CA TYR B 38 5.887 28.953 8.632 1.00 0.00 C ATOM 1313 C TYR B 38 5.199 30.273 8.298 1.00 0.00 C ATOM 1314 O TYR B 38 5.703 31.061 7.495 1.00 0.00 O ATOM 1315 CB TYR B 38 7.186 29.218 9.395 1.00 0.00 C ATOM 1316 CG TYR B 38 7.878 27.957 9.865 1.00 0.00 C ATOM 1317 CD1 TYR B 38 8.753 27.273 9.032 1.00 0.00 C ATOM 1318 CD2 TYR B 38 7.656 27.453 11.140 1.00 0.00 C ATOM 1319 CE1 TYR B 38 9.388 26.120 9.456 1.00 0.00 C ATOM 1320 CE2 TYR B 38 8.288 26.302 11.572 1.00 0.00 C ATOM 1321 CZ TYR B 38 9.152 25.640 10.727 1.00 0.00 C ATOM 1322 OH TYR B 38 9.783 24.493 11.153 1.00 0.00 O ATOM 0 H TYR B 38 6.717 28.676 6.726 1.00 0.00 H new ATOM 0 HA TYR B 38 5.219 28.366 9.262 1.00 0.00 H new ATOM 0 HB2 TYR B 38 7.866 29.779 8.754 1.00 0.00 H new ATOM 0 HB3 TYR B 38 6.969 29.847 10.258 1.00 0.00 H new ATOM 0 HD1 TYR B 38 8.941 27.647 8.037 1.00 0.00 H new ATOM 0 HD2 TYR B 38 6.979 27.969 11.805 1.00 0.00 H new ATOM 0 HE1 TYR B 38 10.065 25.598 8.795 1.00 0.00 H new ATOM 0 HE2 TYR B 38 8.105 25.923 12.567 1.00 0.00 H new ATOM 0 HH TYR B 38 9.509 24.291 12.072 1.00 0.00 H new ATOM 1332 N GLU B 39 4.048 30.505 8.917 1.00 0.00 N ATOM 1333 CA GLU B 39 3.286 31.728 8.689 1.00 0.00 C ATOM 1334 C GLU B 39 2.434 32.073 9.906 1.00 0.00 C ATOM 1335 O GLU B 39 2.514 33.229 10.376 1.00 0.00 O ATOM 1336 CB GLU B 39 2.395 31.572 7.454 1.00 0.00 C ATOM 1337 CG GLU B 39 1.620 32.830 7.098 1.00 0.00 C ATOM 1338 CD GLU B 39 0.775 32.656 5.852 1.00 0.00 C ATOM 1339 OE1 GLU B 39 1.289 32.914 4.743 1.00 0.00 O ATOM 1340 OE2 GLU B 39 -0.404 32.261 5.984 1.00 0.00 O ATOM 1341 OXT GLU B 39 1.691 31.187 10.382 1.00 0.00 O ATOM 0 H GLU B 39 3.620 29.861 9.582 1.00 0.00 H new ATOM 0 HA GLU B 39 3.991 32.542 8.521 1.00 0.00 H new ATOM 0 HB2 GLU B 39 3.014 31.284 6.604 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.691 30.758 7.625 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.977 33.106 7.934 1.00 0.00 H new ATOM 0 HG3 GLU B 39 2.318 33.653 6.948 1.00 0.00 H new TER 1348 GLU B 39