USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 859 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: A 91 SER OG : rot -36:sc= 1.46 USER MOD Set 1.2: A 108 LYS NZ :NH3+ -173:sc= 2.71 (180deg=2.37) USER MOD Set 2.1: A 101 GLN : amide:sc= 0.727 K(o=1.8,f=1.1) USER MOD Set 2.2: A 103 ASN : amide:sc= 1.03 K(o=1.8,f=1.1) USER MOD Set 3.1: A 92 TYR OH : rot 119:sc= 1.11 USER MOD Set 3.2: A 105 HIS : no HE2:sc= 1.12 K(o=3.4,f=-7.2!) USER MOD Set 3.3: A 107 HIS : no HE2:sc= 0.0209! C(o=3.4!,f=-8.8!) USER MOD Set 3.4: A 112 SER OG : rot -163:sc= 1.1 USER MOD Set 4.1: A 19 LYS NZ :NH3+ -148:sc= 2.31 (180deg=0.697) USER MOD Set 4.2: A 37 GLN : amide:sc= 0.881 K(o=3.2,f=-8.4!) USER MOD Set 5.1: A 27 THR OG1 : rot -121:sc= 1.39 USER MOD Set 5.2: A 31 THR OG1 : rot 135:sc= 2.07 USER MOD Set 6.1: A 7 LYS NZ :NH3+ -171:sc= 3.51 (180deg=1.74) USER MOD Set 6.2: A 68 ASN : amide:sc= 0.993 K(o=4.5,f=-5.7!) USER MOD Single : A 1 ILE N :NH3+ -168:sc= 1.04 (180deg=0.585) USER MOD Single : A 2 SER OG : rot -129:sc= -0.0489 USER MOD Single : A 5 GLN : amide:sc= 0.34 K(o=0.34,f=-10!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 10 THR OG1 : rot -31:sc= 0.723 USER MOD Single : A 11 TYR OH : rot 165:sc= 1.22 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00276 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.07) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00157 USER MOD Single : A 29 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4!) USER MOD Single : A 38 TYR OH : rot 29:sc= 1.17 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 41 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= 2.83 (180deg=2.33) USER MOD Single : A 50 SER OG : rot -111:sc= 0.698 USER MOD Single : A 51 SER OG : rot 164:sc= 1.15 USER MOD Single : A 54 SER OG : rot -9:sc= 1 USER MOD Single : A 56 ASN : amide:sc= -0.761 K(o=-0.76,f=-4!) USER MOD Single : A 59 THR OG1 : rot -9:sc= 0.857 USER MOD Single : A 66 THR OG1 : rot -160:sc= 1.03 USER MOD Single : A 72 SER OG : rot 72:sc= 0.111 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0979 USER MOD Single : A 77 ASN : amide:sc= 0.808 K(o=0.81,f=-2.1) USER MOD Single : A 79 LYS NZ :NH3+ -119:sc= 1.11 (180deg=-1.83!) USER MOD Single : A 100 GLN : amide:sc= 0.893 K(o=0.89,f=-1.1) USER MOD Single : A 104 HIS : no HE2:sc= -0.282 K(o=-0.28,f=-3.4!) USER MOD Single : A 109 SER OG : rot -84:sc= 1.14 USER MOD Single : A 111 SER OG : rot -130:sc= 1.22 USER MOD Single : A 115 LYS NZ :NH3+ 145:sc= 1.07 (180deg=0.167) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.096 8.749 12.920 1.00 0.00 N ATOM 2 CA ILE A 1 -1.522 8.362 12.813 1.00 0.00 C ATOM 3 C ILE A 1 -1.608 6.982 12.154 1.00 0.00 C ATOM 4 O ILE A 1 -0.754 6.661 11.340 1.00 0.00 O ATOM 5 CB ILE A 1 -2.337 9.450 12.069 1.00 0.00 C ATOM 6 CG1 ILE A 1 -2.283 10.776 12.872 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.803 9.017 11.867 1.00 0.00 C ATOM 8 CD1 ILE A 1 -2.860 11.992 12.135 1.00 0.00 C ATOM 0 H1 ILE A 1 -0.007 9.579 13.541 1.00 0.00 H new ATOM 0 H2 ILE A 1 0.449 7.958 13.319 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.272 8.982 11.976 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.972 8.288 13.803 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.894 9.596 11.084 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.827 10.642 13.807 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.246 10.985 13.134 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.346 9.803 11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.834 8.100 11.279 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -4.267 8.841 12.837 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.781 12.874 12.771 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -2.302 12.158 11.214 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.908 11.809 11.897 1.00 0.00 H new ATOM 22 N SER A 2 -2.603 6.159 12.513 1.00 0.00 N ATOM 23 CA SER A 2 -2.855 4.845 11.903 1.00 0.00 C ATOM 24 C SER A 2 -4.356 4.544 11.847 1.00 0.00 C ATOM 25 O SER A 2 -5.109 4.984 12.714 1.00 0.00 O ATOM 26 CB SER A 2 -2.125 3.769 12.718 1.00 0.00 C ATOM 27 OG SER A 2 -2.349 2.474 12.193 1.00 0.00 O ATOM 0 H SER A 2 -3.269 6.392 13.250 1.00 0.00 H new ATOM 0 HA SER A 2 -2.480 4.850 10.879 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.056 3.980 12.724 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.462 3.805 13.754 1.00 0.00 H new ATOM 0 HG SER A 2 -2.639 1.875 12.912 1.00 0.00 H new ATOM 33 N GLU A 3 -4.778 3.776 10.838 1.00 0.00 N ATOM 34 CA GLU A 3 -6.143 3.291 10.618 1.00 0.00 C ATOM 35 C GLU A 3 -6.184 1.757 10.733 1.00 0.00 C ATOM 36 O GLU A 3 -5.644 1.029 9.897 1.00 0.00 O ATOM 37 CB GLU A 3 -6.727 3.839 9.300 1.00 0.00 C ATOM 38 CG GLU A 3 -6.039 3.430 7.982 1.00 0.00 C ATOM 39 CD GLU A 3 -4.633 4.018 7.846 1.00 0.00 C ATOM 40 OE1 GLU A 3 -4.520 5.137 7.310 1.00 0.00 O ATOM 41 OE2 GLU A 3 -3.652 3.410 8.339 1.00 0.00 O ATOM 0 H GLU A 3 -4.138 3.458 10.110 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.797 3.677 11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.771 3.530 9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.719 4.927 9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.981 2.343 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.649 3.758 7.141 1.00 0.00 H new ATOM 48 N PHE A 4 -6.740 1.259 11.841 1.00 0.00 N ATOM 49 CA PHE A 4 -6.548 -0.124 12.282 1.00 0.00 C ATOM 50 C PHE A 4 -7.388 -1.172 11.532 1.00 0.00 C ATOM 51 O PHE A 4 -6.982 -2.330 11.467 1.00 0.00 O ATOM 52 CB PHE A 4 -6.797 -0.184 13.796 1.00 0.00 C ATOM 53 CG PHE A 4 -5.813 0.653 14.599 1.00 0.00 C ATOM 54 CD1 PHE A 4 -4.453 0.284 14.642 1.00 0.00 C ATOM 55 CD2 PHE A 4 -6.240 1.807 15.287 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.526 1.061 15.360 1.00 0.00 C ATOM 57 CE2 PHE A 4 -5.312 2.585 16.005 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.956 2.213 16.040 1.00 0.00 C ATOM 0 H PHE A 4 -7.338 1.807 12.459 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.521 -0.398 12.041 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.810 0.159 14.005 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.737 -1.221 14.127 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.121 -0.601 14.120 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.281 2.095 15.263 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.486 0.773 15.389 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.642 3.469 16.530 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.245 2.813 16.589 1.00 0.00 H new ATOM 68 N GLN A 5 -8.522 -0.790 10.936 1.00 0.00 N ATOM 69 CA GLN A 5 -9.435 -1.701 10.237 1.00 0.00 C ATOM 70 C GLN A 5 -8.858 -2.227 8.912 1.00 0.00 C ATOM 71 O GLN A 5 -9.006 -3.405 8.598 1.00 0.00 O ATOM 72 CB GLN A 5 -10.827 -1.047 10.064 1.00 0.00 C ATOM 73 CG GLN A 5 -11.052 -0.076 8.884 1.00 0.00 C ATOM 74 CD GLN A 5 -10.235 1.218 8.928 1.00 0.00 C ATOM 75 OE1 GLN A 5 -9.033 1.225 9.149 1.00 0.00 O ATOM 76 NE2 GLN A 5 -10.841 2.360 8.680 1.00 0.00 N ATOM 0 H GLN A 5 -8.837 0.180 10.926 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.559 -2.585 10.863 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.560 -1.849 9.976 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.055 -0.507 10.983 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.820 -0.600 7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.110 0.184 8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.844 2.375 8.493 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.308 3.230 8.675 1.00 0.00 H new ATOM 85 N LEU A 6 -8.157 -1.374 8.150 1.00 0.00 N ATOM 86 CA LEU A 6 -7.560 -1.726 6.855 1.00 0.00 C ATOM 87 C LEU A 6 -6.311 -2.622 6.967 1.00 0.00 C ATOM 88 O LEU A 6 -5.774 -3.049 5.945 1.00 0.00 O ATOM 89 CB LEU A 6 -7.207 -0.434 6.086 1.00 0.00 C ATOM 90 CG LEU A 6 -8.409 0.414 5.628 1.00 0.00 C ATOM 91 CD1 LEU A 6 -7.899 1.676 4.927 1.00 0.00 C ATOM 92 CD2 LEU A 6 -9.322 -0.334 4.648 1.00 0.00 C ATOM 0 H LEU A 6 -7.987 -0.406 8.421 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.306 -2.310 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.570 0.183 6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.619 -0.703 5.209 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.987 0.653 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.747 2.279 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.287 2.254 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.300 1.394 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.152 0.311 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.753 -0.613 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.711 -1.233 5.127 1.00 0.00 H new ATOM 104 N LYS A 7 -5.817 -2.900 8.182 1.00 0.00 N ATOM 105 CA LYS A 7 -4.483 -3.478 8.393 1.00 0.00 C ATOM 106 C LYS A 7 -4.335 -4.943 7.975 1.00 0.00 C ATOM 107 O LYS A 7 -3.194 -5.375 7.832 1.00 0.00 O ATOM 108 CB LYS A 7 -4.030 -3.257 9.850 1.00 0.00 C ATOM 109 CG LYS A 7 -3.762 -1.773 10.153 1.00 0.00 C ATOM 110 CD LYS A 7 -2.431 -1.264 9.567 1.00 0.00 C ATOM 111 CE LYS A 7 -2.359 0.265 9.469 1.00 0.00 C ATOM 112 NZ LYS A 7 -3.315 0.782 8.465 1.00 0.00 N ATOM 0 H LYS A 7 -6.332 -2.730 9.046 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.820 -2.939 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.796 -3.633 10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.125 -3.835 10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.580 -1.174 9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.756 -1.625 11.233 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.609 -1.621 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.291 -1.692 8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.576 0.705 10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.347 0.568 9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.140 1.795 8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.191 0.267 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.287 0.647 8.809 1.00 0.00 H new ATOM 126 N GLY A 8 -5.421 -5.693 7.757 1.00 0.00 N ATOM 127 CA GLY A 8 -5.399 -7.040 7.165 1.00 0.00 C ATOM 128 C GLY A 8 -4.894 -8.145 8.104 1.00 0.00 C ATOM 129 O GLY A 8 -3.721 -8.515 8.059 1.00 0.00 O ATOM 0 H GLY A 8 -6.362 -5.376 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.407 -7.294 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.769 -7.021 6.276 1.00 0.00 H new ATOM 133 N THR A 9 -5.779 -8.702 8.934 1.00 0.00 N ATOM 134 CA THR A 9 -5.519 -9.814 9.872 1.00 0.00 C ATOM 135 C THR A 9 -5.750 -11.208 9.263 1.00 0.00 C ATOM 136 O THR A 9 -5.894 -12.184 9.993 1.00 0.00 O ATOM 137 CB THR A 9 -6.390 -9.645 11.130 1.00 0.00 C ATOM 138 OG1 THR A 9 -7.739 -9.479 10.755 1.00 0.00 O ATOM 139 CG2 THR A 9 -5.973 -8.427 11.957 1.00 0.00 C ATOM 0 H THR A 9 -6.746 -8.379 8.978 1.00 0.00 H new ATOM 0 HA THR A 9 -4.460 -9.762 10.125 1.00 0.00 H new ATOM 0 HB THR A 9 -6.258 -10.542 11.735 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.291 -9.373 11.558 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.614 -8.346 12.835 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.936 -8.540 12.274 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.071 -7.526 11.352 1.00 0.00 H new ATOM 147 N THR A 10 -5.783 -11.327 7.928 1.00 0.00 N ATOM 148 CA THR A 10 -6.088 -12.574 7.198 1.00 0.00 C ATOM 149 C THR A 10 -5.111 -13.739 7.425 1.00 0.00 C ATOM 150 O THR A 10 -5.437 -14.856 7.026 1.00 0.00 O ATOM 151 CB THR A 10 -6.218 -12.304 5.689 1.00 0.00 C ATOM 152 OG1 THR A 10 -6.634 -13.478 5.034 1.00 0.00 O ATOM 153 CG2 THR A 10 -4.909 -11.832 5.051 1.00 0.00 C ATOM 0 H THR A 10 -5.594 -10.541 7.307 1.00 0.00 H new ATOM 0 HA THR A 10 -7.037 -12.902 7.622 1.00 0.00 H new ATOM 0 HB THR A 10 -6.951 -11.505 5.577 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.292 -14.260 5.516 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.065 -11.658 3.986 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.586 -10.906 5.526 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.143 -12.595 5.186 1.00 0.00 H new ATOM 161 N TYR A 11 -3.950 -13.500 8.043 1.00 0.00 N ATOM 162 CA TYR A 11 -3.000 -14.501 8.532 1.00 0.00 C ATOM 163 C TYR A 11 -2.594 -14.137 9.978 1.00 0.00 C ATOM 164 O TYR A 11 -2.887 -13.035 10.446 1.00 0.00 O ATOM 165 CB TYR A 11 -1.748 -14.557 7.629 1.00 0.00 C ATOM 166 CG TYR A 11 -1.895 -14.819 6.131 1.00 0.00 C ATOM 167 CD1 TYR A 11 -2.848 -15.720 5.609 1.00 0.00 C ATOM 168 CD2 TYR A 11 -0.974 -14.221 5.248 1.00 0.00 C ATOM 169 CE1 TYR A 11 -2.899 -15.987 4.225 1.00 0.00 C ATOM 170 CE2 TYR A 11 -0.988 -14.527 3.877 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.957 -15.403 3.351 1.00 0.00 C ATOM 172 OH TYR A 11 -1.972 -15.689 2.017 1.00 0.00 O ATOM 0 H TYR A 11 -3.631 -12.548 8.225 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.472 -15.483 8.513 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.225 -13.607 7.742 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.094 -15.331 8.030 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.544 -16.209 6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.248 -13.518 5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.663 -16.642 3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.250 -14.087 3.222 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.430 -15.030 1.535 1.00 0.00 H new ATOM 182 N GLY A 12 -1.874 -15.026 10.678 1.00 0.00 N ATOM 183 CA GLY A 12 -1.326 -14.745 12.013 1.00 0.00 C ATOM 184 C GLY A 12 0.009 -13.982 11.977 1.00 0.00 C ATOM 185 O GLY A 12 0.691 -13.947 10.948 1.00 0.00 O ATOM 0 H GLY A 12 -1.655 -15.961 10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.053 -14.164 12.581 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.184 -15.686 12.545 1.00 0.00 H new ATOM 189 N VAL A 13 0.384 -13.367 13.113 1.00 0.00 N ATOM 190 CA VAL A 13 1.543 -12.464 13.227 1.00 0.00 C ATOM 191 C VAL A 13 2.898 -13.190 13.171 1.00 0.00 C ATOM 192 O VAL A 13 3.470 -13.635 14.171 1.00 0.00 O ATOM 193 CB VAL A 13 1.393 -11.438 14.370 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.232 -12.031 15.775 1.00 0.00 C ATOM 195 CG2 VAL A 13 2.555 -10.437 14.358 1.00 0.00 C ATOM 0 H VAL A 13 -0.119 -13.486 13.993 1.00 0.00 H new ATOM 0 HA VAL A 13 1.547 -11.857 12.321 1.00 0.00 H new ATOM 0 HB VAL A 13 0.449 -10.936 14.159 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.135 -11.224 16.501 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.340 -12.657 15.806 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.107 -12.634 16.018 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.429 -9.723 15.172 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.497 -10.971 14.486 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.567 -9.904 13.407 1.00 0.00 H new ATOM 205 N CYS A 14 3.411 -13.295 11.947 1.00 0.00 N ATOM 206 CA CYS A 14 4.672 -13.916 11.570 1.00 0.00 C ATOM 207 C CYS A 14 5.284 -13.142 10.386 1.00 0.00 C ATOM 208 O CYS A 14 4.605 -12.368 9.709 1.00 0.00 O ATOM 209 CB CYS A 14 4.412 -15.421 11.301 1.00 0.00 C ATOM 210 SG CYS A 14 5.192 -16.198 9.853 1.00 0.00 S ATOM 0 H CYS A 14 2.918 -12.920 11.137 1.00 0.00 H new ATOM 0 HA CYS A 14 5.415 -13.868 12.366 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.730 -15.974 12.184 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.335 -15.559 11.210 1.00 0.00 H new ATOM 215 N SER A 15 6.576 -13.348 10.139 1.00 0.00 N ATOM 216 CA SER A 15 7.301 -12.806 8.981 1.00 0.00 C ATOM 217 C SER A 15 8.580 -13.598 8.724 1.00 0.00 C ATOM 218 O SER A 15 8.865 -13.962 7.587 1.00 0.00 O ATOM 219 CB SER A 15 7.656 -11.333 9.207 1.00 0.00 C ATOM 220 OG SER A 15 8.423 -11.155 10.386 1.00 0.00 O ATOM 0 H SER A 15 7.167 -13.910 10.752 1.00 0.00 H new ATOM 0 HA SER A 15 6.648 -12.890 8.112 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.214 -10.957 8.349 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.741 -10.744 9.275 1.00 0.00 H new ATOM 0 HG SER A 15 8.633 -10.205 10.499 1.00 0.00 H new ATOM 226 N LYS A 16 9.318 -13.888 9.806 1.00 0.00 N ATOM 227 CA LYS A 16 10.558 -14.666 9.876 1.00 0.00 C ATOM 228 C LYS A 16 11.713 -13.998 9.123 1.00 0.00 C ATOM 229 O LYS A 16 12.665 -13.517 9.729 1.00 0.00 O ATOM 230 CB LYS A 16 10.291 -16.120 9.423 1.00 0.00 C ATOM 231 CG LYS A 16 11.461 -17.066 9.740 1.00 0.00 C ATOM 232 CD LYS A 16 11.273 -18.457 9.109 1.00 0.00 C ATOM 233 CE LYS A 16 11.669 -18.469 7.623 1.00 0.00 C ATOM 234 NZ LYS A 16 11.456 -19.799 7.004 1.00 0.00 N ATOM 0 H LYS A 16 9.037 -13.556 10.729 1.00 0.00 H new ATOM 0 HA LYS A 16 10.888 -14.699 10.914 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.389 -16.488 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.100 -16.132 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.390 -16.627 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.559 -17.170 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.875 -19.186 9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.232 -18.764 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.086 -17.721 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.717 -18.187 7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.813 -19.789 6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.965 -20.522 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.440 -20.021 6.998 1.00 0.00 H new ATOM 248 N ALA A 17 11.636 -13.987 7.798 1.00 0.00 N ATOM 249 CA ALA A 17 12.766 -13.764 6.914 1.00 0.00 C ATOM 250 C ALA A 17 12.807 -12.327 6.375 1.00 0.00 C ATOM 251 O ALA A 17 12.461 -12.076 5.225 1.00 0.00 O ATOM 252 CB ALA A 17 12.703 -14.830 5.821 1.00 0.00 C ATOM 0 H ALA A 17 10.760 -14.137 7.298 1.00 0.00 H new ATOM 0 HA ALA A 17 13.706 -13.865 7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.538 -14.696 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.761 -15.820 6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.765 -14.736 5.274 1.00 0.00 H new ATOM 258 N PHE A 18 13.279 -11.384 7.198 1.00 0.00 N ATOM 259 CA PHE A 18 13.592 -10.012 6.784 1.00 0.00 C ATOM 260 C PHE A 18 14.954 -9.556 7.339 1.00 0.00 C ATOM 261 O PHE A 18 15.394 -10.015 8.392 1.00 0.00 O ATOM 262 CB PHE A 18 12.488 -9.054 7.259 1.00 0.00 C ATOM 263 CG PHE A 18 11.220 -9.018 6.422 1.00 0.00 C ATOM 264 CD1 PHE A 18 10.149 -9.885 6.702 1.00 0.00 C ATOM 265 CD2 PHE A 18 11.081 -8.058 5.402 1.00 0.00 C ATOM 266 CE1 PHE A 18 8.937 -9.762 5.993 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.873 -7.934 4.692 1.00 0.00 C ATOM 268 CZ PHE A 18 8.794 -8.779 4.999 1.00 0.00 C ATOM 0 H PHE A 18 13.457 -11.556 8.187 1.00 0.00 H new ATOM 0 HA PHE A 18 13.646 -9.994 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.216 -9.324 8.279 1.00 0.00 H new ATOM 0 HB3 PHE A 18 12.902 -8.046 7.296 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.255 -10.646 7.461 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.911 -7.410 5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.115 -10.426 6.215 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.776 -7.192 3.914 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.857 -8.674 4.473 1.00 0.00 H new ATOM 278 N LYS A 19 15.582 -8.591 6.653 1.00 0.00 N ATOM 279 CA LYS A 19 16.727 -7.789 7.116 1.00 0.00 C ATOM 280 C LYS A 19 16.628 -6.366 6.539 1.00 0.00 C ATOM 281 O LYS A 19 16.253 -6.209 5.377 1.00 0.00 O ATOM 282 CB LYS A 19 18.031 -8.504 6.690 1.00 0.00 C ATOM 283 CG LYS A 19 19.245 -7.569 6.629 1.00 0.00 C ATOM 284 CD LYS A 19 20.564 -8.252 6.245 1.00 0.00 C ATOM 285 CE LYS A 19 21.678 -7.221 5.988 1.00 0.00 C ATOM 286 NZ LYS A 19 21.314 -6.251 4.925 1.00 0.00 N ATOM 0 H LYS A 19 15.291 -8.334 5.710 1.00 0.00 H new ATOM 0 HA LYS A 19 16.726 -7.697 8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.239 -9.313 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.883 -8.960 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.040 -6.776 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.368 -7.093 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.870 -8.929 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.415 -8.858 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 19 21.891 -6.682 6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.593 -7.741 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.171 -5.959 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.649 -6.697 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.867 -5.416 5.355 1.00 0.00 H new ATOM 300 N PHE A 20 17.031 -5.340 7.305 1.00 0.00 N ATOM 301 CA PHE A 20 17.251 -3.974 6.798 1.00 0.00 C ATOM 302 C PHE A 20 18.365 -3.948 5.735 1.00 0.00 C ATOM 303 O PHE A 20 19.469 -4.457 5.948 1.00 0.00 O ATOM 304 CB PHE A 20 17.602 -3.007 7.943 1.00 0.00 C ATOM 305 CG PHE A 20 16.429 -2.365 8.670 1.00 0.00 C ATOM 306 CD1 PHE A 20 15.677 -1.355 8.035 1.00 0.00 C ATOM 307 CD2 PHE A 20 16.145 -2.700 10.009 1.00 0.00 C ATOM 308 CE1 PHE A 20 14.661 -0.679 8.738 1.00 0.00 C ATOM 309 CE2 PHE A 20 15.127 -2.025 10.709 1.00 0.00 C ATOM 310 CZ PHE A 20 14.391 -1.008 10.077 1.00 0.00 C ATOM 0 H PHE A 20 17.215 -5.435 8.304 1.00 0.00 H new ATOM 0 HA PHE A 20 16.320 -3.647 6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.203 -3.547 8.674 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.230 -2.213 7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.881 -1.099 7.006 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.711 -3.478 10.500 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.088 0.094 8.247 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.911 -2.289 11.734 1.00 0.00 H new ATOM 0 HZ PHE A 20 13.620 -0.481 10.619 1.00 0.00 H new ATOM 320 N LEU A 21 18.077 -3.326 4.592 1.00 0.00 N ATOM 321 CA LEU A 21 18.998 -3.135 3.470 1.00 0.00 C ATOM 322 C LEU A 21 19.401 -1.654 3.387 1.00 0.00 C ATOM 323 O LEU A 21 20.589 -1.344 3.376 1.00 0.00 O ATOM 324 CB LEU A 21 18.283 -3.650 2.207 1.00 0.00 C ATOM 325 CG LEU A 21 19.075 -3.798 0.892 1.00 0.00 C ATOM 326 CD1 LEU A 21 19.744 -2.517 0.391 1.00 0.00 C ATOM 327 CD2 LEU A 21 20.130 -4.900 0.986 1.00 0.00 C ATOM 0 H LEU A 21 17.157 -2.924 4.414 1.00 0.00 H new ATOM 0 HA LEU A 21 19.927 -3.692 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.861 -4.626 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.446 -2.981 2.010 1.00 0.00 H new ATOM 0 HG LEU A 21 18.310 -4.063 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.276 -2.723 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.985 -1.756 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.449 -2.158 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.666 -4.972 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.834 -4.663 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.644 -5.852 1.201 1.00 0.00 H new ATOM 339 N GLY A 22 18.411 -0.753 3.385 1.00 0.00 N ATOM 340 CA GLY A 22 18.575 0.699 3.372 1.00 0.00 C ATOM 341 C GLY A 22 17.766 1.303 4.512 1.00 0.00 C ATOM 342 O GLY A 22 16.539 1.320 4.448 1.00 0.00 O ATOM 0 H GLY A 22 17.430 -1.033 3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.628 0.959 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.242 1.106 2.418 1.00 0.00 H new ATOM 346 N THR A 23 18.427 1.725 5.593 1.00 0.00 N ATOM 347 CA THR A 23 17.743 2.240 6.785 1.00 0.00 C ATOM 348 C THR A 23 16.961 3.539 6.498 1.00 0.00 C ATOM 349 O THR A 23 17.252 4.223 5.515 1.00 0.00 O ATOM 350 CB THR A 23 18.738 2.411 7.943 1.00 0.00 C ATOM 351 OG1 THR A 23 19.907 3.075 7.528 1.00 0.00 O ATOM 352 CG2 THR A 23 19.152 1.044 8.493 1.00 0.00 C ATOM 0 H THR A 23 19.444 1.720 5.668 1.00 0.00 H new ATOM 0 HA THR A 23 16.999 1.502 7.085 1.00 0.00 H new ATOM 0 HB THR A 23 18.235 3.002 8.708 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.518 3.169 8.289 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.857 1.180 9.313 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.270 0.516 8.856 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.624 0.461 7.702 1.00 0.00 H new ATOM 360 N PRO A 24 15.939 3.871 7.318 1.00 0.00 N ATOM 361 CA PRO A 24 14.998 4.952 7.038 1.00 0.00 C ATOM 362 C PRO A 24 15.628 6.310 6.705 1.00 0.00 C ATOM 363 O PRO A 24 16.567 6.752 7.371 1.00 0.00 O ATOM 364 CB PRO A 24 14.103 5.055 8.279 1.00 0.00 C ATOM 365 CG PRO A 24 14.133 3.657 8.883 1.00 0.00 C ATOM 366 CD PRO A 24 15.519 3.141 8.509 1.00 0.00 C ATOM 0 HA PRO A 24 14.451 4.705 6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.480 5.799 8.980 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.088 5.352 8.014 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.992 3.683 9.964 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.345 3.025 8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.223 3.299 9.326 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.492 2.069 8.315 1.00 0.00 H new ATOM 374 N ALA A 25 15.026 7.018 5.745 1.00 0.00 N ATOM 375 CA ALA A 25 15.278 8.426 5.447 1.00 0.00 C ATOM 376 C ALA A 25 13.949 9.177 5.297 1.00 0.00 C ATOM 377 O ALA A 25 13.098 8.785 4.496 1.00 0.00 O ATOM 378 CB ALA A 25 16.155 8.538 4.197 1.00 0.00 C ATOM 0 H ALA A 25 14.322 6.607 5.131 1.00 0.00 H new ATOM 0 HA ALA A 25 15.819 8.891 6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.342 9.589 3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.103 8.030 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.645 8.075 3.352 1.00 0.00 H new ATOM 384 N ASP A 26 13.757 10.230 6.103 1.00 0.00 N ATOM 385 CA ASP A 26 12.568 11.082 6.063 1.00 0.00 C ATOM 386 C ASP A 26 12.477 11.817 4.715 1.00 0.00 C ATOM 387 O ASP A 26 13.405 12.523 4.317 1.00 0.00 O ATOM 388 CB ASP A 26 12.587 12.061 7.247 1.00 0.00 C ATOM 389 CG ASP A 26 11.174 12.481 7.657 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.522 13.167 6.835 1.00 0.00 O ATOM 391 OD2 ASP A 26 10.768 12.120 8.790 1.00 0.00 O ATOM 0 H ASP A 26 14.435 10.515 6.810 1.00 0.00 H new ATOM 0 HA ASP A 26 11.676 10.462 6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.089 11.596 8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.166 12.945 6.979 1.00 0.00 H new ATOM 396 N THR A 27 11.366 11.644 3.998 1.00 0.00 N ATOM 397 CA THR A 27 11.107 12.305 2.714 1.00 0.00 C ATOM 398 C THR A 27 10.791 13.792 2.871 1.00 0.00 C ATOM 399 O THR A 27 10.708 14.493 1.861 1.00 0.00 O ATOM 400 CB THR A 27 9.916 11.658 1.985 1.00 0.00 C ATOM 401 OG1 THR A 27 8.745 11.797 2.767 1.00 0.00 O ATOM 402 CG2 THR A 27 10.161 10.186 1.650 1.00 0.00 C ATOM 0 H THR A 27 10.607 11.031 4.296 1.00 0.00 H new ATOM 0 HA THR A 27 12.025 12.188 2.138 1.00 0.00 H new ATOM 0 HB THR A 27 9.791 12.180 1.036 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.379 10.911 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.289 9.780 1.137 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.035 10.100 1.004 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.334 9.627 2.570 1.00 0.00 H new ATOM 410 N GLY A 28 10.505 14.272 4.091 1.00 0.00 N ATOM 411 CA GLY A 28 9.921 15.595 4.325 1.00 0.00 C ATOM 412 C GLY A 28 8.466 15.733 3.849 1.00 0.00 C ATOM 413 O GLY A 28 7.813 16.717 4.182 1.00 0.00 O ATOM 0 H GLY A 28 10.675 13.746 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.965 15.816 5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.530 16.344 3.818 1.00 0.00 H new ATOM 417 N HIS A 29 7.928 14.744 3.121 1.00 0.00 N ATOM 418 CA HIS A 29 6.550 14.700 2.622 1.00 0.00 C ATOM 419 C HIS A 29 5.599 14.031 3.638 1.00 0.00 C ATOM 420 O HIS A 29 4.463 13.705 3.306 1.00 0.00 O ATOM 421 CB HIS A 29 6.526 13.983 1.257 1.00 0.00 C ATOM 422 CG HIS A 29 7.274 14.697 0.151 1.00 0.00 C ATOM 423 ND1 HIS A 29 8.634 14.920 0.071 1.00 0.00 N ATOM 424 CD2 HIS A 29 6.711 15.209 -0.988 1.00 0.00 C ATOM 425 CE1 HIS A 29 8.875 15.554 -1.088 1.00 0.00 C ATOM 426 NE2 HIS A 29 7.736 15.754 -1.765 1.00 0.00 N ATOM 0 H HIS A 29 8.465 13.919 2.854 1.00 0.00 H new ATOM 0 HA HIS A 29 6.188 15.719 2.489 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.950 12.986 1.379 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.489 13.853 0.949 1.00 0.00 H new ATOM 0 HD1 HIS A 29 9.330 14.652 0.767 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.661 15.194 -1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.853 15.861 -1.428 1.00 0.00 H new ATOM 434 N GLY A 30 6.069 13.806 4.875 1.00 0.00 N ATOM 435 CA GLY A 30 5.346 13.092 5.927 1.00 0.00 C ATOM 436 C GLY A 30 5.633 11.588 5.964 1.00 0.00 C ATOM 437 O GLY A 30 4.904 10.862 6.638 1.00 0.00 O ATOM 0 H GLY A 30 6.990 14.127 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.606 13.526 6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.276 13.245 5.787 1.00 0.00 H new ATOM 441 N THR A 31 6.667 11.109 5.256 1.00 0.00 N ATOM 442 CA THR A 31 7.020 9.685 5.173 1.00 0.00 C ATOM 443 C THR A 31 8.512 9.433 5.437 1.00 0.00 C ATOM 444 O THR A 31 9.336 10.338 5.358 1.00 0.00 O ATOM 445 CB THR A 31 6.601 9.073 3.825 1.00 0.00 C ATOM 446 OG1 THR A 31 7.292 9.660 2.747 1.00 0.00 O ATOM 447 CG2 THR A 31 5.103 9.223 3.551 1.00 0.00 C ATOM 0 H THR A 31 7.291 11.710 4.717 1.00 0.00 H new ATOM 0 HA THR A 31 6.459 9.187 5.964 1.00 0.00 H new ATOM 0 HB THR A 31 6.851 8.015 3.904 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.609 8.958 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.863 8.774 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.537 8.721 4.336 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.840 10.281 3.534 1.00 0.00 H new ATOM 455 N VAL A 32 8.869 8.178 5.722 1.00 0.00 N ATOM 456 CA VAL A 32 10.235 7.635 5.687 1.00 0.00 C ATOM 457 C VAL A 32 10.283 6.570 4.604 1.00 0.00 C ATOM 458 O VAL A 32 9.532 5.599 4.680 1.00 0.00 O ATOM 459 CB VAL A 32 10.702 6.982 7.011 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.531 7.921 7.894 1.00 0.00 C ATOM 461 CG2 VAL A 32 9.565 6.332 7.807 1.00 0.00 C ATOM 0 H VAL A 32 8.182 7.476 5.997 1.00 0.00 H new ATOM 0 HA VAL A 32 10.901 8.477 5.501 1.00 0.00 H new ATOM 0 HB VAL A 32 11.365 6.177 6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.825 7.399 8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.423 8.236 7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.936 8.796 8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.965 5.895 8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.821 7.087 8.061 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.100 5.551 7.205 1.00 0.00 H new ATOM 471 N VAL A 33 11.189 6.722 3.636 1.00 0.00 N ATOM 472 CA VAL A 33 11.603 5.613 2.768 1.00 0.00 C ATOM 473 C VAL A 33 12.598 4.730 3.528 1.00 0.00 C ATOM 474 O VAL A 33 13.611 5.233 4.014 1.00 0.00 O ATOM 475 CB VAL A 33 12.211 6.090 1.429 1.00 0.00 C ATOM 476 CG1 VAL A 33 11.110 6.300 0.387 1.00 0.00 C ATOM 477 CG2 VAL A 33 13.057 7.368 1.518 1.00 0.00 C ATOM 0 H VAL A 33 11.653 7.607 3.431 1.00 0.00 H new ATOM 0 HA VAL A 33 10.712 5.042 2.509 1.00 0.00 H new ATOM 0 HB VAL A 33 12.891 5.290 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.555 6.636 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.582 5.361 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.408 7.053 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.439 7.621 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.441 8.187 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.892 7.205 2.199 1.00 0.00 H new ATOM 487 N LEU A 34 12.314 3.428 3.636 1.00 0.00 N ATOM 488 CA LEU A 34 13.246 2.408 4.132 1.00 0.00 C ATOM 489 C LEU A 34 13.184 1.149 3.261 1.00 0.00 C ATOM 490 O LEU A 34 12.129 0.807 2.730 1.00 0.00 O ATOM 491 CB LEU A 34 13.030 2.148 5.642 1.00 0.00 C ATOM 492 CG LEU A 34 11.888 1.252 6.172 1.00 0.00 C ATOM 493 CD1 LEU A 34 10.497 1.665 5.699 1.00 0.00 C ATOM 494 CD2 LEU A 34 12.085 -0.249 5.935 1.00 0.00 C ATOM 0 H LEU A 34 11.406 3.044 3.374 1.00 0.00 H new ATOM 0 HA LEU A 34 14.268 2.778 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.960 1.726 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.906 3.123 6.112 1.00 0.00 H new ATOM 0 HG LEU A 34 11.946 1.424 7.247 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.754 0.985 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.286 2.681 6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.456 1.624 4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.234 -0.796 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.163 -0.441 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.998 -0.579 6.431 1.00 0.00 H new ATOM 506 N GLU A 35 14.309 0.451 3.097 1.00 0.00 N ATOM 507 CA GLU A 35 14.408 -0.767 2.295 1.00 0.00 C ATOM 508 C GLU A 35 14.791 -1.965 3.161 1.00 0.00 C ATOM 509 O GLU A 35 15.731 -1.914 3.962 1.00 0.00 O ATOM 510 CB GLU A 35 15.382 -0.594 1.111 1.00 0.00 C ATOM 511 CG GLU A 35 15.350 -1.858 0.237 1.00 0.00 C ATOM 512 CD GLU A 35 15.905 -1.691 -1.172 1.00 0.00 C ATOM 513 OE1 GLU A 35 15.129 -1.380 -2.102 1.00 0.00 O ATOM 514 OE2 GLU A 35 17.085 -2.037 -1.399 1.00 0.00 O ATOM 0 H GLU A 35 15.193 0.723 3.527 1.00 0.00 H new ATOM 0 HA GLU A 35 13.422 -0.962 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.102 0.278 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.393 -0.418 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.914 -2.642 0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.319 -2.203 0.165 1.00 0.00 H new ATOM 521 N LEU A 36 14.082 -3.069 2.921 1.00 0.00 N ATOM 522 CA LEU A 36 14.354 -4.381 3.485 1.00 0.00 C ATOM 523 C LEU A 36 14.696 -5.371 2.361 1.00 0.00 C ATOM 524 O LEU A 36 14.324 -5.179 1.201 1.00 0.00 O ATOM 525 CB LEU A 36 13.110 -4.856 4.254 1.00 0.00 C ATOM 526 CG LEU A 36 12.768 -4.033 5.515 1.00 0.00 C ATOM 527 CD1 LEU A 36 11.259 -3.996 5.755 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.410 -4.635 6.761 1.00 0.00 C ATOM 0 H LEU A 36 13.271 -3.068 2.303 1.00 0.00 H new ATOM 0 HA LEU A 36 15.204 -4.325 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.254 -4.832 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.257 -5.896 4.546 1.00 0.00 H new ATOM 0 HG LEU A 36 13.152 -3.028 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.047 -3.410 6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.765 -3.540 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.887 -5.012 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.150 -4.033 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.046 -5.653 6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.493 -4.651 6.641 1.00 0.00 H new ATOM 540 N GLN A 37 15.336 -6.477 2.739 1.00 0.00 N ATOM 541 CA GLN A 37 15.450 -7.680 1.921 1.00 0.00 C ATOM 542 C GLN A 37 14.824 -8.866 2.655 1.00 0.00 C ATOM 543 O GLN A 37 14.974 -9.004 3.873 1.00 0.00 O ATOM 544 CB GLN A 37 16.908 -7.911 1.494 1.00 0.00 C ATOM 545 CG GLN A 37 17.819 -8.406 2.630 1.00 0.00 C ATOM 546 CD GLN A 37 19.302 -8.340 2.278 1.00 0.00 C ATOM 547 OE1 GLN A 37 20.095 -7.713 2.968 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.733 -8.973 1.203 1.00 0.00 N ATOM 0 H GLN A 37 15.800 -6.562 3.644 1.00 0.00 H new ATOM 0 HA GLN A 37 14.890 -7.556 0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.928 -8.638 0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.312 -6.980 1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.636 -7.807 3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.556 -9.434 2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 37 19.078 -9.498 0.623 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.721 -8.938 0.952 1.00 0.00 H new ATOM 557 N TYR A 38 14.107 -9.708 1.909 1.00 0.00 N ATOM 558 CA TYR A 38 13.383 -10.860 2.429 1.00 0.00 C ATOM 559 C TYR A 38 14.290 -12.099 2.406 1.00 0.00 C ATOM 560 O TYR A 38 14.430 -12.780 1.391 1.00 0.00 O ATOM 561 CB TYR A 38 12.090 -11.034 1.634 1.00 0.00 C ATOM 562 CG TYR A 38 11.076 -11.962 2.275 1.00 0.00 C ATOM 563 CD1 TYR A 38 11.196 -13.361 2.164 1.00 0.00 C ATOM 564 CD2 TYR A 38 10.003 -11.407 2.997 1.00 0.00 C ATOM 565 CE1 TYR A 38 10.256 -14.207 2.785 1.00 0.00 C ATOM 566 CE2 TYR A 38 9.060 -12.245 3.617 1.00 0.00 C ATOM 567 CZ TYR A 38 9.190 -13.644 3.523 1.00 0.00 C ATOM 568 OH TYR A 38 8.278 -14.431 4.150 1.00 0.00 O ATOM 0 H TYR A 38 14.014 -9.601 0.899 1.00 0.00 H new ATOM 0 HA TYR A 38 13.101 -10.708 3.471 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.630 -10.056 1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.336 -11.415 0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.013 -13.787 1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.904 -10.334 3.075 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.349 -15.279 2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.235 -11.815 4.166 1.00 0.00 H new ATOM 0 HH TYR A 38 8.697 -15.281 4.401 1.00 0.00 H new ATOM 578 N THR A 39 14.968 -12.355 3.526 1.00 0.00 N ATOM 579 CA THR A 39 16.101 -13.278 3.706 1.00 0.00 C ATOM 580 C THR A 39 15.736 -14.774 3.673 1.00 0.00 C ATOM 581 O THR A 39 16.363 -15.577 4.362 1.00 0.00 O ATOM 582 CB THR A 39 16.832 -12.917 5.019 1.00 0.00 C ATOM 583 OG1 THR A 39 15.917 -12.741 6.081 1.00 0.00 O ATOM 584 CG2 THR A 39 17.598 -11.604 4.878 1.00 0.00 C ATOM 0 H THR A 39 14.724 -11.889 4.400 1.00 0.00 H new ATOM 0 HA THR A 39 16.753 -13.143 2.843 1.00 0.00 H new ATOM 0 HB THR A 39 17.512 -13.743 5.228 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.406 -12.515 6.900 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.103 -11.375 5.817 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.337 -11.697 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.902 -10.801 4.635 1.00 0.00 H new ATOM 592 N GLY A 40 14.721 -15.180 2.898 1.00 0.00 N ATOM 593 CA GLY A 40 14.218 -16.551 2.947 1.00 0.00 C ATOM 594 C GLY A 40 13.166 -16.917 1.903 1.00 0.00 C ATOM 595 O GLY A 40 12.750 -16.116 1.068 1.00 0.00 O ATOM 0 H GLY A 40 14.236 -14.577 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.063 -17.231 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.795 -16.727 3.936 1.00 0.00 H new ATOM 599 N THR A 41 12.764 -18.186 1.973 1.00 0.00 N ATOM 600 CA THR A 41 11.938 -18.928 1.014 1.00 0.00 C ATOM 601 C THR A 41 10.429 -18.758 1.171 1.00 0.00 C ATOM 602 O THR A 41 9.688 -18.993 0.223 1.00 0.00 O ATOM 603 CB THR A 41 12.249 -20.429 1.197 1.00 0.00 C ATOM 604 OG1 THR A 41 12.557 -20.761 2.551 1.00 0.00 O ATOM 605 CG2 THR A 41 13.489 -20.789 0.374 1.00 0.00 C ATOM 0 H THR A 41 13.028 -18.771 2.766 1.00 0.00 H new ATOM 0 HA THR A 41 12.190 -18.529 0.031 1.00 0.00 H new ATOM 0 HB THR A 41 11.359 -20.974 0.881 1.00 0.00 H new ATOM 0 HG1 THR A 41 11.726 -20.870 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.714 -21.848 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.300 -20.580 -0.679 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.337 -20.195 0.715 1.00 0.00 H new ATOM 613 N ASP A 42 9.974 -18.421 2.375 1.00 0.00 N ATOM 614 CA ASP A 42 8.634 -18.738 2.862 1.00 0.00 C ATOM 615 C ASP A 42 8.159 -17.729 3.919 1.00 0.00 C ATOM 616 O ASP A 42 8.918 -16.859 4.350 1.00 0.00 O ATOM 617 CB ASP A 42 8.667 -20.167 3.438 1.00 0.00 C ATOM 618 CG ASP A 42 9.666 -20.287 4.592 1.00 0.00 C ATOM 619 OD1 ASP A 42 10.900 -20.262 4.335 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.219 -20.334 5.760 1.00 0.00 O ATOM 0 H ASP A 42 10.538 -17.909 3.053 1.00 0.00 H new ATOM 0 HA ASP A 42 7.922 -18.677 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.672 -20.442 3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.934 -20.871 2.650 1.00 0.00 H new ATOM 625 N GLY A 43 6.893 -17.856 4.330 1.00 0.00 N ATOM 626 CA GLY A 43 6.225 -17.012 5.323 1.00 0.00 C ATOM 627 C GLY A 43 4.994 -16.225 4.833 1.00 0.00 C ATOM 628 O GLY A 43 4.946 -15.028 5.112 1.00 0.00 O ATOM 0 H GLY A 43 6.279 -18.583 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.918 -17.643 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.953 -16.301 5.713 1.00 0.00 H new ATOM 632 N PRO A 44 3.979 -16.833 4.168 1.00 0.00 N ATOM 633 CA PRO A 44 2.632 -16.254 4.056 1.00 0.00 C ATOM 634 C PRO A 44 2.028 -15.917 5.437 1.00 0.00 C ATOM 635 O PRO A 44 1.376 -16.747 6.068 1.00 0.00 O ATOM 636 CB PRO A 44 1.774 -17.261 3.270 1.00 0.00 C ATOM 637 CG PRO A 44 2.798 -18.136 2.562 1.00 0.00 C ATOM 638 CD PRO A 44 3.997 -18.130 3.506 1.00 0.00 C ATOM 0 HA PRO A 44 2.669 -15.301 3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.137 -17.847 3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.118 -16.758 2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.419 -19.146 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.058 -17.735 1.582 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.926 -18.940 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.927 -18.275 2.957 1.00 0.00 H new ATOM 646 N CYS A 45 2.301 -14.710 5.938 1.00 0.00 N ATOM 647 CA CYS A 45 2.048 -14.310 7.319 1.00 0.00 C ATOM 648 C CYS A 45 1.743 -12.808 7.455 1.00 0.00 C ATOM 649 O CYS A 45 1.922 -12.014 6.531 1.00 0.00 O ATOM 650 CB CYS A 45 3.278 -14.642 8.169 1.00 0.00 C ATOM 651 SG CYS A 45 3.653 -16.373 8.525 1.00 0.00 S ATOM 0 H CYS A 45 2.715 -13.966 5.377 1.00 0.00 H new ATOM 0 HA CYS A 45 1.170 -14.858 7.661 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.148 -14.212 7.672 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.168 -14.126 9.123 1.00 0.00 H new ATOM 656 N LYS A 46 1.290 -12.397 8.642 1.00 0.00 N ATOM 657 CA LYS A 46 0.948 -11.014 8.971 1.00 0.00 C ATOM 658 C LYS A 46 2.175 -10.297 9.556 1.00 0.00 C ATOM 659 O LYS A 46 2.429 -10.396 10.754 1.00 0.00 O ATOM 660 CB LYS A 46 -0.280 -11.071 9.898 1.00 0.00 C ATOM 661 CG LYS A 46 -1.141 -9.816 9.887 1.00 0.00 C ATOM 662 CD LYS A 46 -0.528 -8.639 10.661 1.00 0.00 C ATOM 663 CE LYS A 46 -1.422 -7.401 10.558 1.00 0.00 C ATOM 664 NZ LYS A 46 -1.655 -7.079 9.138 1.00 0.00 N ATOM 0 H LYS A 46 1.147 -13.038 9.423 1.00 0.00 H new ATOM 0 HA LYS A 46 0.678 -10.419 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.897 -11.922 9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.059 -11.254 10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.310 -9.511 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.116 -10.051 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.398 -8.914 11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.462 -8.413 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.372 -7.582 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.951 -6.556 11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.054 -6.122 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.754 -7.122 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.322 -7.766 8.731 1.00 0.00 H new ATOM 678 N VAL A 47 2.957 -9.618 8.707 1.00 0.00 N ATOM 679 CA VAL A 47 4.265 -9.044 9.074 1.00 0.00 C ATOM 680 C VAL A 47 4.169 -8.021 10.220 1.00 0.00 C ATOM 681 O VAL A 47 3.516 -6.992 10.068 1.00 0.00 O ATOM 682 CB VAL A 47 5.055 -8.488 7.867 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.232 -7.621 6.905 1.00 0.00 C ATOM 684 CG2 VAL A 47 6.318 -7.715 8.273 1.00 0.00 C ATOM 0 H VAL A 47 2.700 -9.448 7.735 1.00 0.00 H new ATOM 0 HA VAL A 47 4.846 -9.886 9.452 1.00 0.00 H new ATOM 0 HB VAL A 47 5.342 -9.394 7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.869 -7.276 6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.409 -8.209 6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.832 -6.761 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.825 -7.352 7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.040 -6.869 8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.986 -8.375 8.827 1.00 0.00 H new ATOM 694 N PRO A 48 4.843 -8.250 11.361 1.00 0.00 N ATOM 695 CA PRO A 48 4.994 -7.259 12.412 1.00 0.00 C ATOM 696 C PRO A 48 6.055 -6.222 12.008 1.00 0.00 C ATOM 697 O PRO A 48 7.243 -6.359 12.301 1.00 0.00 O ATOM 698 CB PRO A 48 5.356 -8.065 13.660 1.00 0.00 C ATOM 699 CG PRO A 48 6.129 -9.260 13.103 1.00 0.00 C ATOM 700 CD PRO A 48 5.594 -9.447 11.693 1.00 0.00 C ATOM 0 HA PRO A 48 4.094 -6.674 12.598 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.963 -7.482 14.352 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.467 -8.381 14.205 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.202 -9.068 13.097 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.968 -10.152 13.708 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.411 -9.597 10.987 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.957 -10.330 11.636 1.00 0.00 H new ATOM 708 N ILE A 49 5.608 -5.176 11.312 1.00 0.00 N ATOM 709 CA ILE A 49 6.368 -3.952 11.035 1.00 0.00 C ATOM 710 C ILE A 49 5.564 -2.751 11.549 1.00 0.00 C ATOM 711 O ILE A 49 4.331 -2.769 11.505 1.00 0.00 O ATOM 712 CB ILE A 49 6.750 -3.864 9.538 1.00 0.00 C ATOM 713 CG1 ILE A 49 7.670 -2.650 9.285 1.00 0.00 C ATOM 714 CG2 ILE A 49 5.516 -3.838 8.617 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.363 -2.662 7.917 1.00 0.00 C ATOM 0 H ILE A 49 4.671 -5.155 10.909 1.00 0.00 H new ATOM 0 HA ILE A 49 7.320 -3.959 11.566 1.00 0.00 H new ATOM 0 HB ILE A 49 7.300 -4.771 9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.081 -1.737 9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.431 -2.616 10.065 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.839 -3.776 7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.934 -4.748 8.762 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.900 -2.972 8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.990 -1.776 7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.981 -3.555 7.830 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.611 -2.663 7.128 1.00 0.00 H new ATOM 727 N SER A 50 6.249 -1.729 12.075 1.00 0.00 N ATOM 728 CA SER A 50 5.628 -0.650 12.848 1.00 0.00 C ATOM 729 C SER A 50 6.427 0.668 12.819 1.00 0.00 C ATOM 730 O SER A 50 7.585 0.715 12.397 1.00 0.00 O ATOM 731 CB SER A 50 5.468 -1.167 14.281 1.00 0.00 C ATOM 732 OG SER A 50 4.912 -0.193 15.135 1.00 0.00 O ATOM 0 H SER A 50 7.259 -1.628 11.974 1.00 0.00 H new ATOM 0 HA SER A 50 4.666 -0.399 12.401 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.832 -2.052 14.278 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.440 -1.474 14.666 1.00 0.00 H new ATOM 0 HG SER A 50 5.590 0.105 15.776 1.00 0.00 H new ATOM 738 N SER A 51 5.780 1.740 13.292 1.00 0.00 N ATOM 739 CA SER A 51 6.294 3.103 13.428 1.00 0.00 C ATOM 740 C SER A 51 5.757 3.737 14.719 1.00 0.00 C ATOM 741 O SER A 51 4.540 3.773 14.937 1.00 0.00 O ATOM 742 CB SER A 51 5.871 3.938 12.218 1.00 0.00 C ATOM 743 OG SER A 51 6.374 5.249 12.356 1.00 0.00 O ATOM 0 H SER A 51 4.814 1.670 13.612 1.00 0.00 H new ATOM 0 HA SER A 51 7.383 3.073 13.476 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.248 3.486 11.300 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.784 3.960 12.139 1.00 0.00 H new ATOM 0 HG SER A 51 6.326 5.710 11.493 1.00 0.00 H new ATOM 749 N VAL A 52 6.646 4.240 15.585 1.00 0.00 N ATOM 750 CA VAL A 52 6.289 4.859 16.875 1.00 0.00 C ATOM 751 C VAL A 52 7.106 6.114 17.202 1.00 0.00 C ATOM 752 O VAL A 52 8.111 6.409 16.559 1.00 0.00 O ATOM 753 CB VAL A 52 6.358 3.848 18.038 1.00 0.00 C ATOM 754 CG1 VAL A 52 5.230 2.828 17.964 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.703 3.132 18.149 1.00 0.00 C ATOM 0 H VAL A 52 7.651 4.230 15.409 1.00 0.00 H new ATOM 0 HA VAL A 52 5.255 5.182 16.758 1.00 0.00 H new ATOM 0 HB VAL A 52 6.241 4.446 18.942 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.312 2.133 18.800 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.270 3.343 18.013 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.299 2.277 17.026 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.677 2.437 18.989 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.899 2.582 17.229 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.493 3.865 18.309 1.00 0.00 H new ATOM 765 N ALA A 53 6.662 6.860 18.222 1.00 0.00 N ATOM 766 CA ALA A 53 7.207 8.165 18.601 1.00 0.00 C ATOM 767 C ALA A 53 8.215 8.119 19.765 1.00 0.00 C ATOM 768 O ALA A 53 8.861 9.121 20.067 1.00 0.00 O ATOM 769 CB ALA A 53 6.024 9.076 18.947 1.00 0.00 C ATOM 0 H ALA A 53 5.892 6.562 18.821 1.00 0.00 H new ATOM 0 HA ALA A 53 7.780 8.547 17.756 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.394 10.060 19.235 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.373 9.173 18.078 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.462 8.644 19.775 1.00 0.00 H new ATOM 775 N SER A 54 8.345 6.996 20.483 1.00 0.00 N ATOM 776 CA SER A 54 9.268 6.858 21.625 1.00 0.00 C ATOM 777 C SER A 54 9.670 5.395 21.871 1.00 0.00 C ATOM 778 O SER A 54 9.790 4.959 23.014 1.00 0.00 O ATOM 779 CB SER A 54 8.641 7.502 22.870 1.00 0.00 C ATOM 780 OG SER A 54 8.523 8.900 22.671 1.00 0.00 O ATOM 0 H SER A 54 7.810 6.149 20.289 1.00 0.00 H new ATOM 0 HA SER A 54 10.193 7.384 21.390 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.660 7.067 23.062 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.257 7.299 23.746 1.00 0.00 H new ATOM 0 HG SER A 54 8.993 9.154 21.850 1.00 0.00 H new ATOM 786 N LEU A 55 9.827 4.618 20.788 1.00 0.00 N ATOM 787 CA LEU A 55 10.102 3.170 20.760 1.00 0.00 C ATOM 788 C LEU A 55 9.045 2.296 21.479 1.00 0.00 C ATOM 789 O LEU A 55 9.222 1.089 21.633 1.00 0.00 O ATOM 790 CB LEU A 55 11.561 2.888 21.193 1.00 0.00 C ATOM 791 CG LEU A 55 12.388 2.149 20.120 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.843 2.021 20.571 1.00 0.00 C ATOM 793 CD2 LEU A 55 11.855 0.751 19.791 1.00 0.00 C ATOM 0 H LEU A 55 9.761 5.008 19.848 1.00 0.00 H new ATOM 0 HA LEU A 55 10.002 2.850 19.723 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.050 3.832 21.431 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.552 2.294 22.107 1.00 0.00 H new ATOM 0 HG LEU A 55 12.309 2.752 19.216 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.416 1.498 19.806 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.265 3.014 20.725 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.887 1.460 21.504 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.485 0.291 19.030 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.866 0.136 20.691 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.834 0.829 19.418 1.00 0.00 H new ATOM 805 N ASN A 56 7.913 2.895 21.861 1.00 0.00 N ATOM 806 CA ASN A 56 6.739 2.331 22.528 1.00 0.00 C ATOM 807 C ASN A 56 5.920 1.359 21.642 1.00 0.00 C ATOM 808 O ASN A 56 4.692 1.437 21.578 1.00 0.00 O ATOM 809 CB ASN A 56 5.912 3.529 23.032 1.00 0.00 C ATOM 810 CG ASN A 56 5.447 4.448 21.905 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.202 5.263 21.382 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.205 4.316 21.489 1.00 0.00 N ATOM 0 H ASN A 56 7.785 3.893 21.692 1.00 0.00 H new ATOM 0 HA ASN A 56 7.051 1.696 23.358 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.042 3.160 23.575 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.509 4.104 23.740 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.859 4.895 20.723 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.588 3.635 21.932 1.00 0.00 H new ATOM 819 N ASP A 57 6.594 0.433 20.953 1.00 0.00 N ATOM 820 CA ASP A 57 6.051 -0.380 19.856 1.00 0.00 C ATOM 821 C ASP A 57 4.947 -1.384 20.235 1.00 0.00 C ATOM 822 O ASP A 57 4.328 -1.985 19.363 1.00 0.00 O ATOM 823 CB ASP A 57 7.204 -1.043 19.095 1.00 0.00 C ATOM 824 CG ASP A 57 6.807 -1.300 17.641 1.00 0.00 C ATOM 825 OD1 ASP A 57 6.356 -0.324 16.993 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.979 -2.442 17.170 1.00 0.00 O ATOM 0 H ASP A 57 7.572 0.219 21.151 1.00 0.00 H new ATOM 0 HA ASP A 57 5.521 0.316 19.206 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.086 -0.404 19.130 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.473 -1.983 19.577 1.00 0.00 H new ATOM 831 N LEU A 58 4.606 -1.475 21.526 1.00 0.00 N ATOM 832 CA LEU A 58 3.343 -2.032 22.014 1.00 0.00 C ATOM 833 C LEU A 58 2.092 -1.319 21.452 1.00 0.00 C ATOM 834 O LEU A 58 0.967 -1.771 21.664 1.00 0.00 O ATOM 835 CB LEU A 58 3.332 -1.999 23.555 1.00 0.00 C ATOM 836 CG LEU A 58 3.283 -0.573 24.162 1.00 0.00 C ATOM 837 CD1 LEU A 58 2.208 -0.476 25.246 1.00 0.00 C ATOM 838 CD2 LEU A 58 4.631 -0.162 24.763 1.00 0.00 C ATOM 0 H LEU A 58 5.217 -1.155 22.277 1.00 0.00 H new ATOM 0 HA LEU A 58 3.288 -3.059 21.654 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.471 -2.563 23.913 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.222 -2.508 23.924 1.00 0.00 H new ATOM 0 HG LEU A 58 3.042 0.105 23.344 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.194 0.534 25.656 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.234 -0.706 24.814 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.429 -1.187 26.042 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.553 0.843 25.177 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.905 -0.860 25.554 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.395 -0.176 23.986 1.00 0.00 H new ATOM 850 N THR A 59 2.242 -0.156 20.807 1.00 0.00 N ATOM 851 CA THR A 59 1.147 0.616 20.214 1.00 0.00 C ATOM 852 C THR A 59 1.695 1.492 19.078 1.00 0.00 C ATOM 853 O THR A 59 2.267 2.543 19.372 1.00 0.00 O ATOM 854 CB THR A 59 0.455 1.461 21.298 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.110 0.596 22.262 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.695 2.316 20.759 1.00 0.00 C ATOM 0 H THR A 59 3.153 0.285 20.681 1.00 0.00 H new ATOM 0 HA THR A 59 0.402 -0.059 19.793 1.00 0.00 H new ATOM 0 HB THR A 59 1.221 2.120 21.707 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.056 -0.329 21.943 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.138 2.886 21.576 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.315 3.002 20.002 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.452 1.669 20.315 1.00 0.00 H new ATOM 864 N PRO A 60 1.550 1.081 17.797 1.00 0.00 N ATOM 865 CA PRO A 60 1.893 1.892 16.626 1.00 0.00 C ATOM 866 C PRO A 60 1.315 3.314 16.702 1.00 0.00 C ATOM 867 O PRO A 60 0.112 3.489 16.903 1.00 0.00 O ATOM 868 CB PRO A 60 1.356 1.123 15.411 1.00 0.00 C ATOM 869 CG PRO A 60 1.379 -0.328 15.883 1.00 0.00 C ATOM 870 CD PRO A 60 1.038 -0.213 17.367 1.00 0.00 C ATOM 0 HA PRO A 60 2.971 2.037 16.562 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.349 1.444 15.143 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.982 1.271 14.531 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.651 -0.938 15.348 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.355 -0.787 15.728 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.038 -0.279 17.526 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.495 -1.022 17.936 1.00 0.00 H new ATOM 878 N VAL A 61 2.175 4.326 16.537 1.00 0.00 N ATOM 879 CA VAL A 61 1.807 5.756 16.579 1.00 0.00 C ATOM 880 C VAL A 61 1.851 6.359 15.174 1.00 0.00 C ATOM 881 O VAL A 61 1.012 7.198 14.848 1.00 0.00 O ATOM 882 CB VAL A 61 2.695 6.554 17.561 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.276 8.026 17.666 1.00 0.00 C ATOM 884 CG2 VAL A 61 2.660 5.965 18.978 1.00 0.00 C ATOM 0 H VAL A 61 3.169 4.176 16.366 1.00 0.00 H new ATOM 0 HA VAL A 61 0.785 5.825 16.953 1.00 0.00 H new ATOM 0 HB VAL A 61 3.702 6.485 17.149 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.931 8.542 18.368 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.352 8.497 16.686 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.246 8.087 18.019 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.298 6.557 19.634 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.637 5.982 19.354 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.020 4.936 18.954 1.00 0.00 H new ATOM 894 N GLY A 62 2.775 5.897 14.327 1.00 0.00 N ATOM 895 CA GLY A 62 2.742 6.058 12.878 1.00 0.00 C ATOM 896 C GLY A 62 2.060 4.862 12.204 1.00 0.00 C ATOM 897 O GLY A 62 1.475 4.002 12.865 1.00 0.00 O ATOM 0 H GLY A 62 3.595 5.382 14.647 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.210 6.975 12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.758 6.163 12.498 1.00 0.00 H new ATOM 901 N ARG A 63 2.155 4.803 10.874 1.00 0.00 N ATOM 902 CA ARG A 63 1.593 3.739 10.031 1.00 0.00 C ATOM 903 C ARG A 63 2.585 3.265 8.971 1.00 0.00 C ATOM 904 O ARG A 63 3.627 3.878 8.743 1.00 0.00 O ATOM 905 CB ARG A 63 0.276 4.212 9.377 1.00 0.00 C ATOM 906 CG ARG A 63 0.469 5.452 8.483 1.00 0.00 C ATOM 907 CD ARG A 63 -0.655 5.677 7.469 1.00 0.00 C ATOM 908 NE ARG A 63 -1.963 6.007 8.058 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.430 7.224 8.321 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.699 8.283 8.566 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.722 7.414 8.308 1.00 0.00 N ATOM 0 H ARG A 63 2.642 5.518 10.333 1.00 0.00 H new ATOM 0 HA ARG A 63 1.380 2.886 10.675 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.141 3.400 8.781 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.451 4.441 10.157 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.552 6.334 9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.413 5.356 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.362 6.483 6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.762 4.778 6.862 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.573 5.223 8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.681 8.212 8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.147 9.179 8.758 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.350 6.638 8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.103 8.339 8.507 1.00 0.00 H new ATOM 925 N LEU A 64 2.198 2.191 8.286 1.00 0.00 N ATOM 926 CA LEU A 64 2.817 1.668 7.078 1.00 0.00 C ATOM 927 C LEU A 64 2.124 2.335 5.879 1.00 0.00 C ATOM 928 O LEU A 64 0.895 2.305 5.808 1.00 0.00 O ATOM 929 CB LEU A 64 2.672 0.130 7.049 1.00 0.00 C ATOM 930 CG LEU A 64 3.015 -0.670 8.331 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.326 -0.249 8.993 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.920 -0.666 9.408 1.00 0.00 C ATOM 0 H LEU A 64 1.397 1.632 8.580 1.00 0.00 H new ATOM 0 HA LEU A 64 3.884 1.890 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.641 -0.101 6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.303 -0.247 6.244 1.00 0.00 H new ATOM 0 HG LEU A 64 3.112 -1.683 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.495 -0.855 9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.150 -0.393 8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.270 0.802 9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.251 -1.251 10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.722 0.359 9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.008 -1.103 9.001 1.00 0.00 H new ATOM 944 N VAL A 65 2.880 2.993 4.989 1.00 0.00 N ATOM 945 CA VAL A 65 2.314 3.828 3.912 1.00 0.00 C ATOM 946 C VAL A 65 2.204 3.041 2.606 1.00 0.00 C ATOM 947 O VAL A 65 1.118 2.989 2.033 1.00 0.00 O ATOM 948 CB VAL A 65 3.114 5.138 3.737 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.715 5.925 2.481 1.00 0.00 C ATOM 950 CG2 VAL A 65 2.929 6.049 4.958 1.00 0.00 C ATOM 0 H VAL A 65 3.900 2.964 4.992 1.00 0.00 H new ATOM 0 HA VAL A 65 1.302 4.112 4.202 1.00 0.00 H new ATOM 0 HB VAL A 65 4.157 4.838 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.313 6.834 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.889 5.312 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.659 6.189 2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.500 6.967 4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.873 6.293 5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.283 5.536 5.852 1.00 0.00 H new ATOM 960 N THR A 66 3.298 2.431 2.128 1.00 0.00 N ATOM 961 CA THR A 66 3.317 1.740 0.822 1.00 0.00 C ATOM 962 C THR A 66 2.305 0.599 0.725 1.00 0.00 C ATOM 963 O THR A 66 1.678 0.433 -0.319 1.00 0.00 O ATOM 964 CB THR A 66 4.729 1.219 0.507 1.00 0.00 C ATOM 965 OG1 THR A 66 5.562 2.319 0.252 1.00 0.00 O ATOM 966 CG2 THR A 66 4.847 0.310 -0.716 1.00 0.00 C ATOM 0 H THR A 66 4.188 2.400 2.626 1.00 0.00 H new ATOM 0 HA THR A 66 3.024 2.484 0.081 1.00 0.00 H new ATOM 0 HB THR A 66 5.007 0.627 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.351 2.023 -0.248 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.885 0.003 -0.842 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.222 -0.572 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.518 0.850 -1.604 1.00 0.00 H new ATOM 974 N VAL A 67 2.155 -0.204 1.784 1.00 0.00 N ATOM 975 CA VAL A 67 1.210 -1.324 1.835 1.00 0.00 C ATOM 976 C VAL A 67 0.830 -1.616 3.290 1.00 0.00 C ATOM 977 O VAL A 67 1.637 -1.395 4.196 1.00 0.00 O ATOM 978 CB VAL A 67 1.821 -2.550 1.111 1.00 0.00 C ATOM 979 CG1 VAL A 67 3.009 -3.189 1.848 1.00 0.00 C ATOM 980 CG2 VAL A 67 0.768 -3.623 0.810 1.00 0.00 C ATOM 0 H VAL A 67 2.695 -0.092 2.642 1.00 0.00 H new ATOM 0 HA VAL A 67 0.288 -1.070 1.313 1.00 0.00 H new ATOM 0 HB VAL A 67 2.206 -2.145 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.378 -4.040 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.806 -2.454 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.687 -3.527 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.240 -4.464 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.322 -3.967 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.008 -3.202 0.170 1.00 0.00 H new ATOM 990 N ASN A 68 -0.388 -2.119 3.527 1.00 0.00 N ATOM 991 CA ASN A 68 -0.775 -2.625 4.845 1.00 0.00 C ATOM 992 C ASN A 68 0.006 -3.925 5.168 1.00 0.00 C ATOM 993 O ASN A 68 0.341 -4.690 4.262 1.00 0.00 O ATOM 994 CB ASN A 68 -2.304 -2.803 4.924 1.00 0.00 C ATOM 995 CG ASN A 68 -3.023 -1.470 5.121 1.00 0.00 C ATOM 996 OD1 ASN A 68 -3.003 -0.875 6.196 1.00 0.00 O ATOM 997 ND2 ASN A 68 -3.669 -0.958 4.093 1.00 0.00 N ATOM 0 H ASN A 68 -1.121 -2.185 2.821 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.507 -1.898 5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.662 -3.277 4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.549 -3.473 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.154 -0.066 4.188 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.684 -1.454 3.202 1.00 0.00 H new ATOM 1004 N PRO A 69 0.328 -4.181 6.449 1.00 0.00 N ATOM 1005 CA PRO A 69 1.384 -5.115 6.841 1.00 0.00 C ATOM 1006 C PRO A 69 0.955 -6.594 6.771 1.00 0.00 C ATOM 1007 O PRO A 69 0.688 -7.227 7.793 1.00 0.00 O ATOM 1008 CB PRO A 69 1.787 -4.655 8.247 1.00 0.00 C ATOM 1009 CG PRO A 69 0.504 -4.071 8.826 1.00 0.00 C ATOM 1010 CD PRO A 69 -0.128 -3.419 7.603 1.00 0.00 C ATOM 0 HA PRO A 69 2.227 -5.091 6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.154 -5.486 8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.583 -3.911 8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.137 -4.841 9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.705 -3.347 9.616 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.216 -3.434 7.673 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.172 -2.374 7.521 1.00 0.00 H new ATOM 1018 N PHE A 70 0.896 -7.169 5.566 1.00 0.00 N ATOM 1019 CA PHE A 70 0.605 -8.591 5.350 1.00 0.00 C ATOM 1020 C PHE A 70 1.425 -9.153 4.174 1.00 0.00 C ATOM 1021 O PHE A 70 1.414 -8.609 3.072 1.00 0.00 O ATOM 1022 CB PHE A 70 -0.924 -8.792 5.250 1.00 0.00 C ATOM 1023 CG PHE A 70 -1.474 -9.472 4.010 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -1.719 -8.716 2.847 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -1.813 -10.837 4.040 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -2.312 -9.320 1.725 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -2.417 -11.437 2.920 1.00 0.00 C ATOM 1028 CZ PHE A 70 -2.673 -10.677 1.767 1.00 0.00 C ATOM 0 H PHE A 70 1.051 -6.653 4.700 1.00 0.00 H new ATOM 0 HA PHE A 70 0.929 -9.185 6.204 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.242 -9.371 6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.395 -7.813 5.330 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.451 -7.670 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.610 -11.424 4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.490 -8.741 0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.684 -12.483 2.947 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.148 -11.136 0.912 1.00 0.00 H new ATOM 1038 N VAL A 71 2.180 -10.231 4.428 1.00 0.00 N ATOM 1039 CA VAL A 71 2.994 -10.946 3.440 1.00 0.00 C ATOM 1040 C VAL A 71 2.090 -11.972 2.768 1.00 0.00 C ATOM 1041 O VAL A 71 1.933 -13.083 3.266 1.00 0.00 O ATOM 1042 CB VAL A 71 4.223 -11.639 4.075 1.00 0.00 C ATOM 1043 CG1 VAL A 71 5.142 -12.214 2.996 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.042 -10.666 4.917 1.00 0.00 C ATOM 0 H VAL A 71 2.242 -10.642 5.360 1.00 0.00 H new ATOM 0 HA VAL A 71 3.392 -10.234 2.717 1.00 0.00 H new ATOM 0 HB VAL A 71 3.837 -12.437 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.999 -12.696 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.594 -12.947 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.489 -11.410 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.897 -11.188 5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.395 -9.848 4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.421 -10.266 5.718 1.00 0.00 H new ATOM 1054 N SER A 72 1.452 -11.590 1.656 1.00 0.00 N ATOM 1055 CA SER A 72 0.415 -12.409 1.019 1.00 0.00 C ATOM 1056 C SER A 72 0.862 -13.819 0.612 1.00 0.00 C ATOM 1057 O SER A 72 0.002 -14.701 0.524 1.00 0.00 O ATOM 1058 CB SER A 72 -0.141 -11.702 -0.218 1.00 0.00 C ATOM 1059 OG SER A 72 -1.268 -12.410 -0.698 1.00 0.00 O ATOM 0 H SER A 72 1.638 -10.710 1.175 1.00 0.00 H new ATOM 0 HA SER A 72 -0.348 -12.531 1.788 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.420 -10.678 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.624 -11.646 -0.993 1.00 0.00 H new ATOM 0 HG SER A 72 -2.021 -12.281 -0.084 1.00 0.00 H new ATOM 1065 N VAL A 73 2.154 -14.008 0.313 1.00 0.00 N ATOM 1066 CA VAL A 73 2.719 -15.151 -0.419 1.00 0.00 C ATOM 1067 C VAL A 73 4.169 -15.433 -0.008 1.00 0.00 C ATOM 1068 O VAL A 73 4.886 -14.537 0.429 1.00 0.00 O ATOM 1069 CB VAL A 73 2.699 -14.881 -1.943 1.00 0.00 C ATOM 1070 CG1 VAL A 73 1.295 -15.024 -2.538 1.00 0.00 C ATOM 1071 CG2 VAL A 73 3.268 -13.504 -2.332 1.00 0.00 C ATOM 0 H VAL A 73 2.869 -13.335 0.588 1.00 0.00 H new ATOM 0 HA VAL A 73 2.102 -16.015 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 73 3.352 -15.646 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.332 -14.825 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.930 -16.037 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.623 -14.312 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.222 -13.384 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.681 -12.720 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.305 -13.432 -2.002 1.00 0.00 H new ATOM 1081 N ALA A 74 4.633 -16.664 -0.256 1.00 0.00 N ATOM 1082 CA ALA A 74 6.036 -17.064 -0.115 1.00 0.00 C ATOM 1083 C ALA A 74 6.970 -16.331 -1.100 1.00 0.00 C ATOM 1084 O ALA A 74 8.151 -16.157 -0.812 1.00 0.00 O ATOM 1085 CB ALA A 74 6.112 -18.580 -0.322 1.00 0.00 C ATOM 0 H ALA A 74 4.029 -17.425 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 74 6.382 -16.787 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.146 -18.909 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.498 -19.081 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.745 -18.830 -1.318 1.00 0.00 H new ATOM 1091 N THR A 75 6.416 -15.853 -2.224 1.00 0.00 N ATOM 1092 CA THR A 75 7.036 -15.116 -3.339 1.00 0.00 C ATOM 1093 C THR A 75 7.611 -13.741 -2.954 1.00 0.00 C ATOM 1094 O THR A 75 8.134 -13.025 -3.803 1.00 0.00 O ATOM 1095 CB THR A 75 5.992 -14.934 -4.466 1.00 0.00 C ATOM 1096 OG1 THR A 75 5.059 -15.999 -4.478 1.00 0.00 O ATOM 1097 CG2 THR A 75 6.603 -14.891 -5.867 1.00 0.00 C ATOM 0 H THR A 75 5.419 -15.986 -2.393 1.00 0.00 H new ATOM 0 HA THR A 75 7.885 -15.716 -3.666 1.00 0.00 H new ATOM 0 HB THR A 75 5.520 -13.977 -4.243 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.410 -15.857 -5.199 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.812 -14.761 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.302 -14.057 -5.934 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.132 -15.824 -6.062 1.00 0.00 H new ATOM 1105 N ALA A 76 7.521 -13.339 -1.683 1.00 0.00 N ATOM 1106 CA ALA A 76 7.966 -12.048 -1.160 1.00 0.00 C ATOM 1107 C ALA A 76 9.499 -11.860 -1.097 1.00 0.00 C ATOM 1108 O ALA A 76 9.949 -10.863 -0.538 1.00 0.00 O ATOM 1109 CB ALA A 76 7.321 -11.871 0.219 1.00 0.00 C ATOM 0 H ALA A 76 7.117 -13.933 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 76 7.647 -11.274 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.629 -10.916 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.236 -11.890 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.639 -12.681 0.876 1.00 0.00 H new ATOM 1115 N ASN A 77 10.292 -12.776 -1.676 1.00 0.00 N ATOM 1116 CA ASN A 77 11.757 -12.971 -1.597 1.00 0.00 C ATOM 1117 C ASN A 77 12.631 -11.796 -2.121 1.00 0.00 C ATOM 1118 O ASN A 77 13.798 -11.986 -2.460 1.00 0.00 O ATOM 1119 CB ASN A 77 12.120 -14.295 -2.311 1.00 0.00 C ATOM 1120 CG ASN A 77 11.050 -15.367 -2.166 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.214 -15.516 -3.041 1.00 0.00 O ATOM 1122 ND2 ASN A 77 10.967 -16.054 -1.048 1.00 0.00 N ATOM 0 H ASN A 77 9.877 -13.483 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 77 11.998 -13.010 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.285 -14.096 -3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.060 -14.672 -1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.202 -16.714 -0.911 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.668 -15.927 -0.318 1.00 0.00 H new ATOM 1129 N ALA A 78 12.060 -10.597 -2.245 1.00 0.00 N ATOM 1130 CA ALA A 78 12.617 -9.400 -2.860 1.00 0.00 C ATOM 1131 C ALA A 78 13.578 -8.603 -1.951 1.00 0.00 C ATOM 1132 O ALA A 78 13.737 -8.872 -0.759 1.00 0.00 O ATOM 1133 CB ALA A 78 11.419 -8.535 -3.284 1.00 0.00 C ATOM 0 H ALA A 78 11.120 -10.429 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 78 13.238 -9.696 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.779 -7.620 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.803 -9.089 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.824 -8.283 -2.406 1.00 0.00 H new ATOM 1139 N LYS A 79 14.176 -7.560 -2.544 1.00 0.00 N ATOM 1140 CA LYS A 79 14.986 -6.504 -1.921 1.00 0.00 C ATOM 1141 C LYS A 79 14.380 -5.156 -2.349 1.00 0.00 C ATOM 1142 O LYS A 79 14.557 -4.728 -3.491 1.00 0.00 O ATOM 1143 CB LYS A 79 16.481 -6.762 -2.244 1.00 0.00 C ATOM 1144 CG LYS A 79 17.384 -5.527 -2.422 1.00 0.00 C ATOM 1145 CD LYS A 79 17.600 -5.212 -3.917 1.00 0.00 C ATOM 1146 CE LYS A 79 17.830 -3.729 -4.228 1.00 0.00 C ATOM 1147 NZ LYS A 79 16.634 -2.919 -3.903 1.00 0.00 N ATOM 0 H LYS A 79 14.100 -7.422 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 79 14.964 -6.493 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.899 -7.374 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.532 -7.353 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.932 -4.667 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.346 -5.703 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.457 -5.782 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.731 -5.557 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.685 -3.364 -3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.076 -3.611 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.282 -2.458 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.893 -3.535 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.886 -2.194 -3.201 1.00 0.00 H new ATOM 1161 N VAL A 80 13.547 -4.572 -1.478 1.00 0.00 N ATOM 1162 CA VAL A 80 12.408 -3.724 -1.874 1.00 0.00 C ATOM 1163 C VAL A 80 12.135 -2.553 -0.912 1.00 0.00 C ATOM 1164 O VAL A 80 11.856 -2.745 0.274 1.00 0.00 O ATOM 1165 CB VAL A 80 11.152 -4.602 -2.094 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.812 -5.545 -0.926 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.916 -3.763 -2.439 1.00 0.00 C ATOM 0 H VAL A 80 13.643 -4.674 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 80 12.679 -3.246 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 80 11.423 -5.231 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.918 -6.119 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.645 -6.226 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.631 -4.958 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.059 -4.421 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.707 -3.070 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.102 -3.201 -3.354 1.00 0.00 H new ATOM 1177 N LEU A 81 12.234 -1.328 -1.445 1.00 0.00 N ATOM 1178 CA LEU A 81 11.874 -0.071 -0.786 1.00 0.00 C ATOM 1179 C LEU A 81 10.394 -0.031 -0.366 1.00 0.00 C ATOM 1180 O LEU A 81 9.509 -0.465 -1.103 1.00 0.00 O ATOM 1181 CB LEU A 81 12.180 1.119 -1.732 1.00 0.00 C ATOM 1182 CG LEU A 81 13.415 1.965 -1.367 1.00 0.00 C ATOM 1183 CD1 LEU A 81 13.598 3.080 -2.400 1.00 0.00 C ATOM 1184 CD2 LEU A 81 13.273 2.638 0.000 1.00 0.00 C ATOM 0 H LEU A 81 12.584 -1.182 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 81 12.472 0.004 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.314 0.731 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.309 1.773 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 81 14.266 1.285 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.472 3.677 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.739 2.641 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.713 3.717 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.168 3.223 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.403 3.295 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.146 1.876 0.769 1.00 0.00 H new ATOM 1196 N ILE A 82 10.139 0.568 0.799 1.00 0.00 N ATOM 1197 CA ILE A 82 8.831 0.803 1.415 1.00 0.00 C ATOM 1198 C ILE A 82 8.811 2.236 1.981 1.00 0.00 C ATOM 1199 O ILE A 82 9.827 2.729 2.468 1.00 0.00 O ATOM 1200 CB ILE A 82 8.611 -0.272 2.518 1.00 0.00 C ATOM 1201 CG1 ILE A 82 8.305 -1.650 1.886 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.497 0.104 3.511 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.300 -2.815 2.883 1.00 0.00 C ATOM 0 H ILE A 82 10.897 0.928 1.379 1.00 0.00 H new ATOM 0 HA ILE A 82 8.018 0.717 0.694 1.00 0.00 H new ATOM 0 HB ILE A 82 9.542 -0.325 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.333 -1.603 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.044 -1.853 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.392 -0.685 4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.753 1.040 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.556 0.224 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.077 -3.743 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.278 -2.892 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.541 -2.639 3.645 1.00 0.00 H new ATOM 1215 N GLU A 83 7.643 2.884 1.983 1.00 0.00 N ATOM 1216 CA GLU A 83 7.352 4.058 2.805 1.00 0.00 C ATOM 1217 C GLU A 83 6.565 3.685 4.071 1.00 0.00 C ATOM 1218 O GLU A 83 5.599 2.914 4.022 1.00 0.00 O ATOM 1219 CB GLU A 83 6.560 5.120 2.027 1.00 0.00 C ATOM 1220 CG GLU A 83 7.387 5.801 0.934 1.00 0.00 C ATOM 1221 CD GLU A 83 6.655 7.046 0.423 1.00 0.00 C ATOM 1222 OE1 GLU A 83 5.771 6.881 -0.444 1.00 0.00 O ATOM 1223 OE2 GLU A 83 6.963 8.145 0.948 1.00 0.00 O ATOM 0 H GLU A 83 6.857 2.599 1.399 1.00 0.00 H new ATOM 0 HA GLU A 83 8.319 4.472 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.685 4.654 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.195 5.876 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.365 6.079 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.560 5.107 0.111 1.00 0.00 H new ATOM 1230 N LEU A 84 6.936 4.324 5.186 1.00 0.00 N ATOM 1231 CA LEU A 84 6.213 4.383 6.464 1.00 0.00 C ATOM 1232 C LEU A 84 5.932 5.853 6.830 1.00 0.00 C ATOM 1233 O LEU A 84 6.543 6.758 6.269 1.00 0.00 O ATOM 1234 CB LEU A 84 7.054 3.691 7.561 1.00 0.00 C ATOM 1235 CG LEU A 84 6.645 2.249 7.895 1.00 0.00 C ATOM 1236 CD1 LEU A 84 6.719 1.324 6.682 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.583 1.690 8.960 1.00 0.00 C ATOM 0 H LEU A 84 7.809 4.850 5.223 1.00 0.00 H new ATOM 0 HA LEU A 84 5.259 3.862 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.098 3.691 7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.994 4.288 8.471 1.00 0.00 H new ATOM 0 HG LEU A 84 5.613 2.286 8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.420 0.317 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.050 1.690 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.740 1.303 6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.294 0.666 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.606 1.700 8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.520 2.303 9.859 1.00 0.00 H new ATOM 1249 N GLU A 85 5.041 6.095 7.797 1.00 0.00 N ATOM 1250 CA GLU A 85 4.799 7.412 8.398 1.00 0.00 C ATOM 1251 C GLU A 85 5.631 7.546 9.697 1.00 0.00 C ATOM 1252 O GLU A 85 5.411 6.758 10.622 1.00 0.00 O ATOM 1253 CB GLU A 85 3.306 7.593 8.697 1.00 0.00 C ATOM 1254 CG GLU A 85 2.979 9.017 9.172 1.00 0.00 C ATOM 1255 CD GLU A 85 1.767 9.009 10.101 1.00 0.00 C ATOM 1256 OE1 GLU A 85 0.631 8.849 9.607 1.00 0.00 O ATOM 1257 OE2 GLU A 85 1.961 9.116 11.331 1.00 0.00 O ATOM 0 H GLU A 85 4.453 5.362 8.194 1.00 0.00 H new ATOM 0 HA GLU A 85 5.104 8.189 7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.728 7.369 7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.001 6.878 9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.839 9.439 9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.780 9.656 8.312 1.00 0.00 H new ATOM 1264 N PRO A 86 6.591 8.488 9.783 1.00 0.00 N ATOM 1265 CA PRO A 86 7.464 8.718 10.932 1.00 0.00 C ATOM 1266 C PRO A 86 6.965 9.880 11.828 1.00 0.00 C ATOM 1267 O PRO A 86 7.127 11.041 11.439 1.00 0.00 O ATOM 1268 CB PRO A 86 8.810 9.065 10.281 1.00 0.00 C ATOM 1269 CG PRO A 86 8.414 9.853 9.028 1.00 0.00 C ATOM 1270 CD PRO A 86 7.055 9.280 8.659 1.00 0.00 C ATOM 0 HA PRO A 86 7.509 7.856 11.598 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.436 9.659 10.947 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.376 8.168 10.028 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.357 10.923 9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.138 9.718 8.224 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.349 10.081 8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.130 8.665 7.762 1.00 0.00 H new ATOM 1278 N PRO A 87 6.411 9.623 13.036 1.00 0.00 N ATOM 1279 CA PRO A 87 6.024 10.661 14.001 1.00 0.00 C ATOM 1280 C PRO A 87 7.068 11.769 14.224 1.00 0.00 C ATOM 1281 O PRO A 87 8.271 11.552 14.076 1.00 0.00 O ATOM 1282 CB PRO A 87 5.734 9.908 15.300 1.00 0.00 C ATOM 1283 CG PRO A 87 5.186 8.577 14.797 1.00 0.00 C ATOM 1284 CD PRO A 87 6.036 8.314 13.555 1.00 0.00 C ATOM 0 HA PRO A 87 5.164 11.208 13.615 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.634 9.775 15.901 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.010 10.435 15.922 1.00 0.00 H new ATOM 0 HG2 PRO A 87 5.297 7.786 15.539 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.125 8.641 14.556 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.919 7.726 13.805 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.475 7.747 12.812 1.00 0.00 H new ATOM 1292 N PHE A 88 6.606 12.976 14.568 1.00 0.00 N ATOM 1293 CA PHE A 88 7.464 14.147 14.773 1.00 0.00 C ATOM 1294 C PHE A 88 8.109 14.171 16.169 1.00 0.00 C ATOM 1295 O PHE A 88 7.684 13.470 17.086 1.00 0.00 O ATOM 1296 CB PHE A 88 6.668 15.425 14.467 1.00 0.00 C ATOM 1297 CG PHE A 88 6.538 15.693 12.977 1.00 0.00 C ATOM 1298 CD1 PHE A 88 5.557 15.031 12.212 1.00 0.00 C ATOM 1299 CD2 PHE A 88 7.426 16.585 12.345 1.00 0.00 C ATOM 1300 CE1 PHE A 88 5.465 15.258 10.827 1.00 0.00 C ATOM 1301 CE2 PHE A 88 7.331 16.815 10.961 1.00 0.00 C ATOM 1302 CZ PHE A 88 6.352 16.151 10.201 1.00 0.00 C ATOM 0 H PHE A 88 5.615 13.169 14.713 1.00 0.00 H new ATOM 0 HA PHE A 88 8.301 14.087 14.077 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.673 15.342 14.905 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.156 16.275 14.944 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.873 14.346 12.691 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.182 17.094 12.925 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.713 14.746 10.245 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.011 17.503 10.481 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.282 16.327 9.138 1.00 0.00 H new ATOM 1312 N GLY A 89 9.171 14.976 16.312 1.00 0.00 N ATOM 1313 CA GLY A 89 10.113 14.862 17.420 1.00 0.00 C ATOM 1314 C GLY A 89 11.032 13.667 17.178 1.00 0.00 C ATOM 1315 O GLY A 89 12.068 13.820 16.532 1.00 0.00 O ATOM 0 H GLY A 89 9.396 15.725 15.657 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.701 15.776 17.509 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.574 14.737 18.359 1.00 0.00 H new ATOM 1319 N ASP A 90 10.615 12.480 17.623 1.00 0.00 N ATOM 1320 CA ASP A 90 11.308 11.209 17.401 1.00 0.00 C ATOM 1321 C ASP A 90 10.437 10.264 16.566 1.00 0.00 C ATOM 1322 O ASP A 90 9.211 10.262 16.674 1.00 0.00 O ATOM 1323 CB ASP A 90 11.663 10.547 18.746 1.00 0.00 C ATOM 1324 CG ASP A 90 13.029 10.949 19.304 1.00 0.00 C ATOM 1325 OD1 ASP A 90 13.516 12.056 18.990 1.00 0.00 O ATOM 1326 OD2 ASP A 90 13.676 10.151 20.028 1.00 0.00 O ATOM 0 H ASP A 90 9.758 12.373 18.165 1.00 0.00 H new ATOM 0 HA ASP A 90 12.230 11.412 16.856 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.896 10.802 19.477 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.638 9.464 18.622 1.00 0.00 H new ATOM 1331 N SER A 91 11.090 9.426 15.757 1.00 0.00 N ATOM 1332 CA SER A 91 10.444 8.477 14.852 1.00 0.00 C ATOM 1333 C SER A 91 11.212 7.151 14.873 1.00 0.00 C ATOM 1334 O SER A 91 12.312 7.066 14.333 1.00 0.00 O ATOM 1335 CB SER A 91 10.367 9.024 13.414 1.00 0.00 C ATOM 1336 OG SER A 91 10.343 10.441 13.298 1.00 0.00 O ATOM 0 H SER A 91 12.108 9.389 15.713 1.00 0.00 H new ATOM 0 HA SER A 91 9.422 8.318 15.196 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.222 8.646 12.854 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.472 8.623 12.939 1.00 0.00 H new ATOM 0 HG SER A 91 9.832 10.822 14.042 1.00 0.00 H new ATOM 1342 N TYR A 92 10.663 6.111 15.499 1.00 0.00 N ATOM 1343 CA TYR A 92 11.302 4.797 15.583 1.00 0.00 C ATOM 1344 C TYR A 92 10.546 3.785 14.731 1.00 0.00 C ATOM 1345 O TYR A 92 9.324 3.661 14.828 1.00 0.00 O ATOM 1346 CB TYR A 92 11.422 4.344 17.036 1.00 0.00 C ATOM 1347 CG TYR A 92 12.288 5.257 17.882 1.00 0.00 C ATOM 1348 CD1 TYR A 92 13.687 5.096 17.888 1.00 0.00 C ATOM 1349 CD2 TYR A 92 11.693 6.283 18.640 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.494 5.976 18.636 1.00 0.00 C ATOM 1351 CE2 TYR A 92 12.494 7.139 19.416 1.00 0.00 C ATOM 1352 CZ TYR A 92 13.898 7.012 19.389 1.00 0.00 C ATOM 1353 OH TYR A 92 14.670 7.912 20.053 1.00 0.00 O ATOM 0 H TYR A 92 9.757 6.156 15.965 1.00 0.00 H new ATOM 0 HA TYR A 92 12.314 4.872 15.186 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.426 4.290 17.476 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.836 3.336 17.062 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.141 4.298 17.319 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.621 6.413 18.625 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.568 5.859 18.634 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.033 7.895 20.034 1.00 0.00 H new ATOM 0 HH TYR A 92 14.492 8.812 19.709 1.00 0.00 H new ATOM 1363 N ILE A 93 11.294 3.080 13.884 1.00 0.00 N ATOM 1364 CA ILE A 93 10.809 2.236 12.798 1.00 0.00 C ATOM 1365 C ILE A 93 11.214 0.797 13.105 1.00 0.00 C ATOM 1366 O ILE A 93 12.404 0.477 13.141 1.00 0.00 O ATOM 1367 CB ILE A 93 11.372 2.746 11.453 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.035 4.233 11.176 1.00 0.00 C ATOM 1369 CG2 ILE A 93 10.894 1.838 10.312 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.543 4.594 11.186 1.00 0.00 C ATOM 0 H ILE A 93 12.312 3.084 13.942 1.00 0.00 H new ATOM 0 HA ILE A 93 9.723 2.274 12.713 1.00 0.00 H new ATOM 0 HB ILE A 93 12.459 2.700 11.516 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.542 4.846 11.921 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.448 4.505 10.205 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.294 2.202 9.366 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.243 0.820 10.486 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.805 1.846 10.273 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.425 5.658 10.981 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.024 4.017 10.421 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.119 4.364 12.164 1.00 0.00 H new ATOM 1382 N VAL A 94 10.224 -0.049 13.395 1.00 0.00 N ATOM 1383 CA VAL A 94 10.417 -1.324 14.097 1.00 0.00 C ATOM 1384 C VAL A 94 9.974 -2.486 13.208 1.00 0.00 C ATOM 1385 O VAL A 94 8.939 -2.412 12.547 1.00 0.00 O ATOM 1386 CB VAL A 94 9.681 -1.313 15.453 1.00 0.00 C ATOM 1387 CG1 VAL A 94 10.024 -2.582 16.247 1.00 0.00 C ATOM 1388 CG2 VAL A 94 10.062 -0.089 16.307 1.00 0.00 C ATOM 0 H VAL A 94 9.252 0.132 13.146 1.00 0.00 H new ATOM 0 HA VAL A 94 11.477 -1.460 14.310 1.00 0.00 H new ATOM 0 HB VAL A 94 8.614 -1.269 15.236 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.500 -2.566 17.203 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.717 -3.460 15.680 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.099 -2.622 16.423 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.520 -0.122 17.252 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.134 -0.101 16.502 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.801 0.824 15.771 1.00 0.00 H new ATOM 1398 N VAL A 95 10.790 -3.543 13.165 1.00 0.00 N ATOM 1399 CA VAL A 95 10.711 -4.655 12.214 1.00 0.00 C ATOM 1400 C VAL A 95 10.910 -5.965 12.980 1.00 0.00 C ATOM 1401 O VAL A 95 12.042 -6.332 13.284 1.00 0.00 O ATOM 1402 CB VAL A 95 11.785 -4.488 11.108 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.787 -5.665 10.119 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.593 -3.204 10.288 1.00 0.00 C ATOM 0 H VAL A 95 11.561 -3.652 13.824 1.00 0.00 H new ATOM 0 HA VAL A 95 9.735 -4.667 11.728 1.00 0.00 H new ATOM 0 HB VAL A 95 12.732 -4.445 11.646 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.555 -5.504 9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.995 -6.591 10.656 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.812 -5.736 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.372 -3.138 9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.616 -3.223 9.805 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.655 -2.338 10.948 1.00 0.00 H new ATOM 1414 N GLY A 96 9.831 -6.683 13.297 1.00 0.00 N ATOM 1415 CA GLY A 96 9.905 -8.016 13.893 1.00 0.00 C ATOM 1416 C GLY A 96 8.992 -8.235 15.097 1.00 0.00 C ATOM 1417 O GLY A 96 8.179 -7.391 15.465 1.00 0.00 O ATOM 0 H GLY A 96 8.877 -6.354 13.146 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.658 -8.753 13.129 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.934 -8.205 14.197 1.00 0.00 H new ATOM 1421 N ARG A 97 9.132 -9.421 15.691 1.00 0.00 N ATOM 1422 CA ARG A 97 8.257 -9.985 16.726 1.00 0.00 C ATOM 1423 C ARG A 97 9.098 -10.672 17.794 1.00 0.00 C ATOM 1424 O ARG A 97 10.057 -11.346 17.441 1.00 0.00 O ATOM 1425 CB ARG A 97 7.276 -11.001 16.110 1.00 0.00 C ATOM 1426 CG ARG A 97 7.884 -11.869 14.980 1.00 0.00 C ATOM 1427 CD ARG A 97 7.053 -13.120 14.686 1.00 0.00 C ATOM 1428 NE ARG A 97 7.184 -14.065 15.802 1.00 0.00 N ATOM 1429 CZ ARG A 97 6.257 -14.541 16.613 1.00 0.00 C ATOM 1430 NH1 ARG A 97 4.970 -14.502 16.338 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.634 -15.059 17.757 1.00 0.00 N ATOM 0 H ARG A 97 9.899 -10.049 15.452 1.00 0.00 H new ATOM 0 HA ARG A 97 7.686 -9.174 17.177 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.908 -11.657 16.899 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.414 -10.463 15.715 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.967 -11.271 14.072 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.895 -12.166 15.259 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.006 -12.850 14.544 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.390 -13.585 13.760 1.00 0.00 H new ATOM 0 HE ARG A 97 8.130 -14.404 15.977 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.648 -14.089 15.463 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.295 -14.884 17.000 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.624 -15.087 18.003 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.938 -15.434 18.401 1.00 0.00 H new ATOM 1445 N GLY A 98 8.699 -10.531 19.063 1.00 0.00 N ATOM 1446 CA GLY A 98 9.325 -11.072 20.279 1.00 0.00 C ATOM 1447 C GLY A 98 10.772 -11.562 20.137 1.00 0.00 C ATOM 1448 O GLY A 98 11.711 -10.812 20.386 1.00 0.00 O ATOM 0 H GLY A 98 7.862 -9.992 19.286 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.299 -10.301 21.049 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.716 -11.902 20.637 1.00 0.00 H new ATOM 1452 N GLU A 99 10.937 -12.831 19.754 1.00 0.00 N ATOM 1453 CA GLU A 99 12.218 -13.530 19.620 1.00 0.00 C ATOM 1454 C GLU A 99 13.126 -13.085 18.456 1.00 0.00 C ATOM 1455 O GLU A 99 14.325 -13.353 18.501 1.00 0.00 O ATOM 1456 CB GLU A 99 11.934 -15.041 19.522 1.00 0.00 C ATOM 1457 CG GLU A 99 11.319 -15.538 18.194 1.00 0.00 C ATOM 1458 CD GLU A 99 9.923 -14.992 17.845 1.00 0.00 C ATOM 1459 OE1 GLU A 99 9.118 -14.664 18.747 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.598 -14.922 16.639 1.00 0.00 O ATOM 0 H GLU A 99 10.144 -13.427 19.518 1.00 0.00 H new ATOM 0 HA GLU A 99 12.792 -13.267 20.509 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.869 -15.576 19.687 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.261 -15.316 20.334 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.000 -15.280 17.383 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.262 -16.626 18.229 1.00 0.00 H new ATOM 1467 N GLN A 100 12.585 -12.431 17.421 1.00 0.00 N ATOM 1468 CA GLN A 100 13.298 -12.022 16.209 1.00 0.00 C ATOM 1469 C GLN A 100 12.851 -10.614 15.773 1.00 0.00 C ATOM 1470 O GLN A 100 11.810 -10.437 15.131 1.00 0.00 O ATOM 1471 CB GLN A 100 13.183 -13.117 15.120 1.00 0.00 C ATOM 1472 CG GLN A 100 11.789 -13.324 14.500 1.00 0.00 C ATOM 1473 CD GLN A 100 11.649 -14.690 13.830 1.00 0.00 C ATOM 1474 OE1 GLN A 100 12.300 -15.006 12.847 1.00 0.00 O ATOM 1475 NE2 GLN A 100 10.774 -15.543 14.319 1.00 0.00 N ATOM 0 H GLN A 100 11.601 -12.163 17.406 1.00 0.00 H new ATOM 0 HA GLN A 100 14.366 -11.931 16.408 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.881 -12.876 14.318 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.509 -14.063 15.552 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.030 -13.223 15.276 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.600 -12.541 13.766 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.222 -15.294 15.140 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.647 -16.454 13.877 1.00 0.00 H new ATOM 1484 N GLN A 101 13.623 -9.589 16.161 1.00 0.00 N ATOM 1485 CA GLN A 101 13.333 -8.204 15.785 1.00 0.00 C ATOM 1486 C GLN A 101 14.577 -7.349 15.536 1.00 0.00 C ATOM 1487 O GLN A 101 15.666 -7.634 16.031 1.00 0.00 O ATOM 1488 CB GLN A 101 12.374 -7.563 16.816 1.00 0.00 C ATOM 1489 CG GLN A 101 13.034 -6.872 18.031 1.00 0.00 C ATOM 1490 CD GLN A 101 13.040 -5.343 17.916 1.00 0.00 C ATOM 1491 OE1 GLN A 101 14.059 -4.684 17.738 1.00 0.00 O ATOM 1492 NE2 GLN A 101 11.885 -4.716 18.030 1.00 0.00 N ATOM 0 H GLN A 101 14.457 -9.698 16.738 1.00 0.00 H new ATOM 0 HA GLN A 101 12.835 -8.239 14.816 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.757 -6.828 16.298 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.703 -8.338 17.186 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.505 -7.161 18.939 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.059 -7.228 18.133 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.028 -5.249 18.178 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.849 -3.698 17.970 1.00 0.00 H new ATOM 1501 N ILE A 102 14.355 -6.267 14.792 1.00 0.00 N ATOM 1502 CA ILE A 102 15.238 -5.125 14.588 1.00 0.00 C ATOM 1503 C ILE A 102 14.412 -3.839 14.728 1.00 0.00 C ATOM 1504 O ILE A 102 13.184 -3.834 14.612 1.00 0.00 O ATOM 1505 CB ILE A 102 15.952 -5.143 13.203 1.00 0.00 C ATOM 1506 CG1 ILE A 102 15.502 -6.189 12.150 1.00 0.00 C ATOM 1507 CG2 ILE A 102 17.473 -5.133 13.405 1.00 0.00 C ATOM 1508 CD1 ILE A 102 16.071 -7.608 12.293 1.00 0.00 C ATOM 0 H ILE A 102 13.482 -6.160 14.276 1.00 0.00 H new ATOM 0 HA ILE A 102 16.024 -5.174 15.342 1.00 0.00 H new ATOM 0 HB ILE A 102 15.612 -4.224 12.725 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.414 -6.255 12.181 1.00 0.00 H new ATOM 0 HG13 ILE A 102 15.771 -5.814 11.163 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.969 -5.146 12.434 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.762 -4.233 13.949 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.770 -6.013 13.976 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.678 -8.239 11.496 1.00 0.00 H new ATOM 0 HD12 ILE A 102 17.158 -7.573 12.225 1.00 0.00 H new ATOM 0 HD13 ILE A 102 15.781 -8.021 13.259 1.00 0.00 H new ATOM 1520 N ASN A 103 15.103 -2.716 14.898 1.00 0.00 N ATOM 1521 CA ASN A 103 14.528 -1.385 14.778 1.00 0.00 C ATOM 1522 C ASN A 103 15.591 -0.406 14.268 1.00 0.00 C ATOM 1523 O ASN A 103 16.789 -0.675 14.369 1.00 0.00 O ATOM 1524 CB ASN A 103 13.915 -0.967 16.129 1.00 0.00 C ATOM 1525 CG ASN A 103 14.902 -0.960 17.288 1.00 0.00 C ATOM 1526 OD1 ASN A 103 15.476 0.065 17.615 1.00 0.00 O ATOM 1527 ND2 ASN A 103 15.108 -2.076 17.965 1.00 0.00 N ATOM 0 H ASN A 103 16.097 -2.708 15.127 1.00 0.00 H new ATOM 0 HA ASN A 103 13.720 -1.379 14.046 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.485 0.029 16.027 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.096 -1.645 16.369 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.747 -2.080 18.760 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.628 -2.934 17.692 1.00 0.00 H new ATOM 1534 N HIS A 104 15.146 0.732 13.735 1.00 0.00 N ATOM 1535 CA HIS A 104 15.986 1.890 13.450 1.00 0.00 C ATOM 1536 C HIS A 104 15.276 3.174 13.898 1.00 0.00 C ATOM 1537 O HIS A 104 14.081 3.175 14.201 1.00 0.00 O ATOM 1538 CB HIS A 104 16.374 1.915 11.963 1.00 0.00 C ATOM 1539 CG HIS A 104 17.584 2.777 11.666 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.610 4.139 11.417 1.00 0.00 N ATOM 1541 CD2 HIS A 104 18.876 2.330 11.619 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.892 4.488 11.206 1.00 0.00 C ATOM 1543 NE2 HIS A 104 19.694 3.417 11.307 1.00 0.00 N ATOM 0 H HIS A 104 14.168 0.875 13.484 1.00 0.00 H new ATOM 0 HA HIS A 104 16.914 1.820 14.017 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.574 0.896 11.631 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.527 2.279 11.381 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.804 4.764 11.397 1.00 0.00 H new ATOM 0 HD2 HIS A 104 19.205 1.316 11.793 1.00 0.00 H new ATOM 0 HE1 HIS A 104 19.229 5.490 10.986 1.00 0.00 H new ATOM 1551 N HIS A 105 16.026 4.272 13.937 1.00 0.00 N ATOM 1552 CA HIS A 105 15.614 5.543 14.516 1.00 0.00 C ATOM 1553 C HIS A 105 15.643 6.686 13.497 1.00 0.00 C ATOM 1554 O HIS A 105 16.318 6.599 12.466 1.00 0.00 O ATOM 1555 CB HIS A 105 16.527 5.842 15.718 1.00 0.00 C ATOM 1556 CG HIS A 105 17.929 6.282 15.358 1.00 0.00 C ATOM 1557 ND1 HIS A 105 18.462 7.522 15.624 1.00 0.00 N ATOM 1558 CD2 HIS A 105 18.900 5.548 14.724 1.00 0.00 C ATOM 1559 CE1 HIS A 105 19.720 7.539 15.154 1.00 0.00 C ATOM 1560 NE2 HIS A 105 20.029 6.360 14.594 1.00 0.00 N ATOM 0 H HIS A 105 16.970 4.300 13.552 1.00 0.00 H new ATOM 0 HA HIS A 105 14.577 5.464 14.842 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.062 6.619 16.324 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.590 4.948 16.339 1.00 0.00 H new ATOM 0 HD1 HIS A 105 17.986 8.292 16.095 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.808 4.526 14.386 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.389 8.384 15.218 1.00 0.00 H new ATOM 1568 N TRP A 106 14.928 7.760 13.838 1.00 0.00 N ATOM 1569 CA TRP A 106 14.958 9.100 13.265 1.00 0.00 C ATOM 1570 C TRP A 106 14.567 10.126 14.330 1.00 0.00 C ATOM 1571 O TRP A 106 13.857 9.812 15.286 1.00 0.00 O ATOM 1572 CB TRP A 106 13.994 9.206 12.072 1.00 0.00 C ATOM 1573 CG TRP A 106 14.714 9.367 10.778 1.00 0.00 C ATOM 1574 CD1 TRP A 106 15.249 8.346 10.082 1.00 0.00 C ATOM 1575 CD2 TRP A 106 15.097 10.587 10.072 1.00 0.00 C ATOM 1576 NE1 TRP A 106 15.934 8.837 8.995 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.891 10.213 8.945 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.883 11.967 10.279 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 16.444 11.156 8.068 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 15.432 12.924 9.403 1.00 0.00 C ATOM 1581 CH2 TRP A 106 16.211 12.522 8.302 1.00 0.00 C ATOM 0 H TRP A 106 14.248 7.704 14.597 1.00 0.00 H new ATOM 0 HA TRP A 106 15.970 9.301 12.914 1.00 0.00 H new ATOM 0 HB2 TRP A 106 13.371 8.313 12.030 1.00 0.00 H new ATOM 0 HB3 TRP A 106 13.326 10.054 12.222 1.00 0.00 H new ATOM 0 HD1 TRP A 106 15.155 7.301 10.338 1.00 0.00 H new ATOM 0 HE1 TRP A 106 16.415 8.254 8.310 1.00 0.00 H new ATOM 0 HE3 TRP A 106 14.290 12.294 11.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.040 10.838 7.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 15.254 13.975 9.578 1.00 0.00 H new ATOM 0 HH2 TRP A 106 16.630 13.263 7.637 1.00 0.00 H new ATOM 1592 N HIS A 107 14.985 11.376 14.111 1.00 0.00 N ATOM 1593 CA HIS A 107 14.590 12.527 14.917 1.00 0.00 C ATOM 1594 C HIS A 107 14.475 13.754 14.011 1.00 0.00 C ATOM 1595 O HIS A 107 15.219 13.876 13.028 1.00 0.00 O ATOM 1596 CB HIS A 107 15.605 12.805 16.037 1.00 0.00 C ATOM 1597 CG HIS A 107 16.221 11.592 16.678 1.00 0.00 C ATOM 1598 ND1 HIS A 107 15.784 10.990 17.827 1.00 0.00 N ATOM 1599 CD2 HIS A 107 17.287 10.877 16.206 1.00 0.00 C ATOM 1600 CE1 HIS A 107 16.549 9.905 18.031 1.00 0.00 C ATOM 1601 NE2 HIS A 107 17.481 9.796 17.069 1.00 0.00 N ATOM 0 H HIS A 107 15.621 11.618 13.351 1.00 0.00 H new ATOM 0 HA HIS A 107 13.629 12.309 15.384 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.405 13.424 15.631 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.111 13.391 16.812 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.017 11.307 18.420 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.872 11.106 15.327 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.431 9.216 18.854 1.00 0.00 H new ATOM 1609 N LYS A 108 13.564 14.672 14.339 1.00 0.00 N ATOM 1610 CA LYS A 108 13.356 15.912 13.594 1.00 0.00 C ATOM 1611 C LYS A 108 12.790 17.023 14.475 1.00 0.00 C ATOM 1612 O LYS A 108 11.660 16.911 14.958 1.00 0.00 O ATOM 1613 CB LYS A 108 12.503 15.669 12.329 1.00 0.00 C ATOM 1614 CG LYS A 108 11.279 14.742 12.480 1.00 0.00 C ATOM 1615 CD LYS A 108 10.534 14.659 11.139 1.00 0.00 C ATOM 1616 CE LYS A 108 9.275 13.789 11.195 1.00 0.00 C ATOM 1617 NZ LYS A 108 9.583 12.344 11.183 1.00 0.00 N ATOM 0 H LYS A 108 12.942 14.572 15.141 1.00 0.00 H new ATOM 0 HA LYS A 108 14.333 16.260 13.259 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.154 16.635 11.964 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.151 15.252 11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.598 13.748 12.794 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.614 15.123 13.255 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.258 15.665 10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.209 14.260 10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.711 14.029 12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.635 14.028 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.699 11.801 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.198 12.127 10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.069 12.085 12.065 1.00 0.00 H new ATOM 1631 N SER A 109 13.583 18.097 14.622 1.00 0.00 N ATOM 1632 CA SER A 109 13.274 19.492 15.030 1.00 0.00 C ATOM 1633 C SER A 109 14.001 19.957 16.304 1.00 0.00 C ATOM 1634 O SER A 109 13.843 21.111 16.698 1.00 0.00 O ATOM 1635 CB SER A 109 11.769 19.829 15.114 1.00 0.00 C ATOM 1636 OG SER A 109 11.119 19.066 16.103 1.00 0.00 O ATOM 0 H SER A 109 14.582 18.004 14.436 1.00 0.00 H new ATOM 0 HA SER A 109 13.677 20.066 14.196 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.645 20.890 15.333 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.301 19.646 14.147 1.00 0.00 H new ATOM 0 HG SER A 109 10.875 18.192 15.734 1.00 0.00 H new ATOM 1642 N GLY A 110 14.820 19.098 16.923 1.00 0.00 N ATOM 1643 CA GLY A 110 15.517 19.369 18.184 1.00 0.00 C ATOM 1644 C GLY A 110 15.039 18.444 19.304 1.00 0.00 C ATOM 1645 O GLY A 110 14.776 18.897 20.415 1.00 0.00 O ATOM 0 H GLY A 110 15.021 18.170 16.550 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.590 19.243 18.041 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.354 20.407 18.474 1.00 0.00 H new ATOM 1649 N SER A 111 14.882 17.157 18.983 1.00 0.00 N ATOM 1650 CA SER A 111 14.315 16.112 19.833 1.00 0.00 C ATOM 1651 C SER A 111 15.382 15.434 20.719 1.00 0.00 C ATOM 1652 O SER A 111 16.396 16.044 21.050 1.00 0.00 O ATOM 1653 CB SER A 111 13.581 15.145 18.903 1.00 0.00 C ATOM 1654 OG SER A 111 12.798 14.222 19.629 1.00 0.00 O ATOM 0 H SER A 111 15.164 16.798 18.071 1.00 0.00 H new ATOM 0 HA SER A 111 13.613 16.530 20.555 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.943 15.708 18.221 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.305 14.607 18.291 1.00 0.00 H new ATOM 0 HG SER A 111 12.985 13.314 19.312 1.00 0.00 H new ATOM 1660 N SER A 112 15.148 14.183 21.138 1.00 0.00 N ATOM 1661 CA SER A 112 15.861 13.418 22.173 1.00 0.00 C ATOM 1662 C SER A 112 17.397 13.440 22.109 1.00 0.00 C ATOM 1663 O SER A 112 18.033 13.403 23.160 1.00 0.00 O ATOM 1664 CB SER A 112 15.348 11.969 22.177 1.00 0.00 C ATOM 1665 OG SER A 112 15.644 11.319 20.958 1.00 0.00 O ATOM 0 H SER A 112 14.393 13.633 20.728 1.00 0.00 H new ATOM 0 HA SER A 112 15.634 13.932 23.107 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.802 11.422 23.003 1.00 0.00 H new ATOM 0 HB3 SER A 112 14.271 11.962 22.344 1.00 0.00 H new ATOM 0 HG SER A 112 15.086 10.518 20.870 1.00 0.00 H new ATOM 1671 N ILE A 113 17.995 13.545 20.913 1.00 0.00 N ATOM 1672 CA ILE A 113 19.455 13.599 20.690 1.00 0.00 C ATOM 1673 C ILE A 113 19.904 14.983 20.153 1.00 0.00 C ATOM 1674 O ILE A 113 21.036 15.146 19.706 1.00 0.00 O ATOM 1675 CB ILE A 113 19.936 12.420 19.794 1.00 0.00 C ATOM 1676 CG1 ILE A 113 19.148 11.095 19.951 1.00 0.00 C ATOM 1677 CG2 ILE A 113 21.433 12.110 20.008 1.00 0.00 C ATOM 1678 CD1 ILE A 113 19.229 10.405 21.321 1.00 0.00 C ATOM 0 H ILE A 113 17.463 13.597 20.044 1.00 0.00 H new ATOM 0 HA ILE A 113 19.943 13.475 21.657 1.00 0.00 H new ATOM 0 HB ILE A 113 19.748 12.789 18.786 1.00 0.00 H new ATOM 0 HG12 ILE A 113 18.099 11.294 19.731 1.00 0.00 H new ATOM 0 HG13 ILE A 113 19.504 10.395 19.195 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.729 11.281 19.364 1.00 0.00 H new ATOM 0 HG22 ILE A 113 22.026 12.991 19.761 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.603 11.839 21.050 1.00 0.00 H new ATOM 0 HD11 ILE A 113 18.637 9.490 21.303 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.267 10.161 21.545 1.00 0.00 H new ATOM 0 HD13 ILE A 113 18.840 11.074 22.089 1.00 0.00 H new ATOM 1690 N GLY A 114 19.028 15.998 20.172 1.00 0.00 N ATOM 1691 CA GLY A 114 19.307 17.346 19.662 1.00 0.00 C ATOM 1692 C GLY A 114 19.166 17.468 18.140 1.00 0.00 C ATOM 1693 O GLY A 114 19.926 18.204 17.514 1.00 0.00 O ATOM 0 H GLY A 114 18.086 15.901 20.551 1.00 0.00 H new ATOM 0 HA2 GLY A 114 18.629 18.053 20.139 1.00 0.00 H new ATOM 0 HA3 GLY A 114 20.319 17.632 19.949 1.00 0.00 H new ATOM 1697 N LYS A 115 18.217 16.730 17.543 1.00 0.00 N ATOM 1698 CA LYS A 115 18.067 16.523 16.093 1.00 0.00 C ATOM 1699 C LYS A 115 16.606 16.671 15.624 1.00 0.00 C ATOM 1700 O LYS A 115 15.689 16.468 16.447 1.00 0.00 O ATOM 1701 CB LYS A 115 18.731 15.163 15.766 1.00 0.00 C ATOM 1702 CG LYS A 115 18.545 14.639 14.335 1.00 0.00 C ATOM 1703 CD LYS A 115 19.122 15.557 13.243 1.00 0.00 C ATOM 1704 CE LYS A 115 18.333 15.470 11.929 1.00 0.00 C ATOM 1705 NZ LYS A 115 16.913 15.852 12.122 1.00 0.00 N ATOM 0 H LYS A 115 17.502 16.240 18.081 1.00 0.00 H new ATOM 0 HA LYS A 115 18.573 17.302 15.523 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.800 15.249 15.962 1.00 0.00 H new ATOM 0 HB3 LYS A 115 18.339 14.417 16.457 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.016 13.659 14.256 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.481 14.497 14.148 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.118 16.587 13.599 1.00 0.00 H new ATOM 0 HD3 LYS A 115 20.162 15.288 13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.789 16.124 11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.388 14.454 11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.568 16.347 11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.342 14.997 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.832 16.480 12.947 1.00 0.00 H new