USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 899 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 40 TYR OH : rot 80:sc= -0.793 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -178:sc= -1.3 (180deg=-1.37) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 143:sc= 1.12 (180deg=-0.271) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.986 K(o=2.1,f=-5.6!) USER MOD Set 3.1: A 18 THR OG1 : rot 180:sc= 0.268 USER MOD Set 3.2: A 21 SER OG : rot 94:sc= 0.365 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.0585 (180deg=-0.419) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.71 (180deg=-1.08) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= 0.947 (180deg=0.691) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0649 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 156:sc= 1.09 USER MOD Single : A 17 ASN : amide:sc=-0.00996 K(o=-0.01,f=-1.3!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 79:sc= 1.14 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 34 LYS NZ :NH3+ 137:sc= 0.587 (180deg=-0.0877) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.543 K(o=0.54,f=-6.4!) USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= -0.0393 (180deg=-0.332) USER MOD Single : A 62 THR OG1 : rot -110:sc= 0 USER MOD Single : A 64 THR OG1 : rot -67:sc= -0.759! USER MOD Single : A 81 SER OG : rot -81:sc= 0.437 USER MOD Single : A 82 ASN : amide:sc=-0.00791 K(o=-0.0079,f=-4.2!) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.11) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.192 -9.308 -20.747 1.00 0.00 N ATOM 2 CA MET A 1 -13.940 -8.862 -19.348 1.00 0.00 C ATOM 3 C MET A 1 -14.356 -9.939 -18.353 1.00 0.00 C ATOM 4 O MET A 1 -14.262 -9.750 -17.141 1.00 0.00 O ATOM 5 CB MET A 1 -14.698 -7.560 -19.056 1.00 0.00 C ATOM 6 CG MET A 1 -15.973 -7.389 -19.869 1.00 0.00 C ATOM 7 SD MET A 1 -17.390 -8.231 -19.136 1.00 0.00 S ATOM 8 CE MET A 1 -17.698 -7.199 -17.703 1.00 0.00 C ATOM 0 H1 MET A 1 -14.014 -8.519 -21.400 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.558 -10.099 -20.979 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.180 -9.618 -20.840 1.00 0.00 H new ATOM 0 HA MET A 1 -12.871 -8.682 -19.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.949 -7.528 -17.996 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.038 -6.715 -19.253 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.197 -6.327 -19.965 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.810 -7.772 -20.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.729 -7.330 -17.375 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.022 -7.484 -16.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.531 -6.154 -17.964 1.00 0.00 H new ATOM 20 N ALA A 2 -14.837 -11.061 -18.883 1.00 0.00 N ATOM 21 CA ALA A 2 -15.274 -12.187 -18.056 1.00 0.00 C ATOM 22 C ALA A 2 -14.134 -12.776 -17.205 1.00 0.00 C ATOM 23 O ALA A 2 -14.314 -12.970 -16.002 1.00 0.00 O ATOM 24 CB ALA A 2 -15.917 -13.267 -18.919 1.00 0.00 C ATOM 0 H ALA A 2 -14.935 -11.217 -19.886 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.017 -11.800 -17.359 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.236 -14.096 -18.287 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.782 -12.852 -19.437 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.194 -13.626 -19.651 1.00 0.00 H new ATOM 30 N PRO A 3 -12.954 -13.097 -17.804 1.00 0.00 N ATOM 31 CA PRO A 3 -11.816 -13.653 -17.049 1.00 0.00 C ATOM 32 C PRO A 3 -11.321 -12.715 -15.954 1.00 0.00 C ATOM 33 O PRO A 3 -11.287 -11.496 -16.130 1.00 0.00 O ATOM 34 CB PRO A 3 -10.733 -13.848 -18.115 1.00 0.00 C ATOM 35 CG PRO A 3 -11.481 -13.930 -19.399 1.00 0.00 C ATOM 36 CD PRO A 3 -12.630 -12.978 -19.241 1.00 0.00 C ATOM 0 HA PRO A 3 -12.092 -14.571 -16.530 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.027 -13.017 -18.120 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.157 -14.755 -17.933 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.850 -13.650 -20.242 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.832 -14.945 -19.587 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.352 -11.959 -19.511 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.475 -13.255 -19.871 1.00 0.00 H new ATOM 44 N LEU A 4 -10.919 -13.291 -14.828 1.00 0.00 N ATOM 45 CA LEU A 4 -10.433 -12.506 -13.702 1.00 0.00 C ATOM 46 C LEU A 4 -8.955 -12.781 -13.451 1.00 0.00 C ATOM 47 O LEU A 4 -8.484 -13.904 -13.632 1.00 0.00 O ATOM 48 CB LEU A 4 -11.249 -12.825 -12.445 1.00 0.00 C ATOM 49 CG LEU A 4 -12.763 -12.640 -12.589 1.00 0.00 C ATOM 50 CD1 LEU A 4 -13.472 -12.981 -11.289 1.00 0.00 C ATOM 51 CD2 LEU A 4 -13.096 -11.223 -13.029 1.00 0.00 C ATOM 0 H LEU A 4 -10.920 -14.299 -14.671 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.551 -11.450 -13.943 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.051 -13.857 -12.154 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.897 -12.191 -11.631 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.116 -13.325 -13.360 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.546 -12.843 -11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.268 -14.019 -11.024 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.111 -12.327 -10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.177 -11.116 -13.124 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.725 -10.515 -12.288 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.625 -11.021 -13.991 1.00 0.00 H new ATOM 63 N ARG A 5 -8.229 -11.750 -13.030 1.00 0.00 N ATOM 64 CA ARG A 5 -6.802 -11.876 -12.758 1.00 0.00 C ATOM 65 C ARG A 5 -6.472 -11.386 -11.354 1.00 0.00 C ATOM 66 O ARG A 5 -7.196 -10.562 -10.794 1.00 0.00 O ATOM 67 CB ARG A 5 -5.988 -11.096 -13.782 1.00 0.00 C ATOM 68 CG ARG A 5 -6.159 -11.612 -15.197 1.00 0.00 C ATOM 69 CD ARG A 5 -5.135 -10.994 -16.117 1.00 0.00 C ATOM 70 NE ARG A 5 -5.308 -11.423 -17.503 1.00 0.00 N ATOM 71 CZ ARG A 5 -4.469 -11.101 -18.484 1.00 0.00 C ATOM 72 NH1 ARG A 5 -3.404 -10.353 -18.231 1.00 0.00 N ATOM 73 NH2 ARG A 5 -4.697 -11.531 -19.720 1.00 0.00 N ATOM 0 H ARG A 5 -8.607 -10.816 -12.870 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.541 -12.932 -12.830 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.281 -10.047 -13.747 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.933 -11.142 -13.510 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -6.058 -12.697 -15.208 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.163 -11.382 -15.555 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.209 -9.908 -16.063 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.135 -11.263 -15.777 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.117 -12.001 -17.731 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.226 -10.023 -17.282 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.762 -10.108 -18.985 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.515 -12.108 -19.917 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.054 -11.284 -20.472 1.00 0.00 H new ATOM 87 N LYS A 6 -5.385 -11.909 -10.786 1.00 0.00 N ATOM 88 CA LYS A 6 -4.955 -11.522 -9.442 1.00 0.00 C ATOM 89 C LYS A 6 -4.568 -10.051 -9.401 1.00 0.00 C ATOM 90 O LYS A 6 -4.841 -9.348 -8.427 1.00 0.00 O ATOM 91 CB LYS A 6 -3.772 -12.381 -8.985 1.00 0.00 C ATOM 92 CG LYS A 6 -4.101 -13.860 -8.828 1.00 0.00 C ATOM 93 CD LYS A 6 -5.138 -14.101 -7.740 1.00 0.00 C ATOM 94 CE LYS A 6 -5.332 -15.588 -7.483 1.00 0.00 C ATOM 95 NZ LYS A 6 -5.811 -16.303 -8.698 1.00 0.00 N ATOM 0 H LYS A 6 -4.786 -12.602 -11.236 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.793 -11.684 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.960 -12.275 -9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.405 -11.998 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.472 -14.251 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.191 -14.411 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.824 -13.608 -6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.087 -13.653 -8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.390 -16.025 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.049 -15.726 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.186 -17.234 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.562 -15.747 -9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.020 -16.428 -9.362 1.00 0.00 H new ATOM 109 N THR A 7 -3.921 -9.600 -10.462 1.00 0.00 N ATOM 110 CA THR A 7 -3.494 -8.214 -10.564 1.00 0.00 C ATOM 111 C THR A 7 -4.623 -7.332 -11.076 1.00 0.00 C ATOM 112 O THR A 7 -5.157 -7.550 -12.165 1.00 0.00 O ATOM 113 CB THR A 7 -2.284 -8.065 -11.504 1.00 0.00 C ATOM 114 OG1 THR A 7 -2.333 -9.067 -12.527 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.973 -8.173 -10.740 1.00 0.00 C ATOM 0 H THR A 7 -3.679 -10.176 -11.268 1.00 0.00 H new ATOM 0 HA THR A 7 -3.208 -7.897 -9.561 1.00 0.00 H new ATOM 0 HB THR A 7 -2.331 -7.076 -11.959 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.561 -8.965 -13.122 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.138 -8.064 -11.432 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.925 -7.387 -9.987 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.915 -9.146 -10.253 1.00 0.00 H new ATOM 123 N ALA A 8 -4.979 -6.338 -10.279 1.00 0.00 N ATOM 124 CA ALA A 8 -6.038 -5.410 -10.638 1.00 0.00 C ATOM 125 C ALA A 8 -5.494 -4.249 -11.453 1.00 0.00 C ATOM 126 O ALA A 8 -4.330 -3.869 -11.313 1.00 0.00 O ATOM 127 CB ALA A 8 -6.729 -4.902 -9.386 1.00 0.00 C ATOM 0 H ALA A 8 -4.547 -6.153 -9.374 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.765 -5.940 -11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.521 -4.207 -9.664 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.158 -5.743 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.004 -4.391 -8.752 1.00 0.00 H new ATOM 133 N VAL A 9 -6.341 -3.681 -12.299 1.00 0.00 N ATOM 134 CA VAL A 9 -5.938 -2.564 -13.132 1.00 0.00 C ATOM 135 C VAL A 9 -6.661 -1.297 -12.695 1.00 0.00 C ATOM 136 O VAL A 9 -7.893 -1.247 -12.649 1.00 0.00 O ATOM 137 CB VAL A 9 -6.224 -2.831 -14.627 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.799 -1.642 -15.487 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.517 -4.099 -15.086 1.00 0.00 C ATOM 0 H VAL A 9 -7.309 -3.976 -12.425 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.862 -2.437 -13.010 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.299 -2.968 -14.746 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.011 -1.856 -16.534 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.351 -0.754 -15.179 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.731 -1.466 -15.362 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.729 -4.272 -16.141 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.442 -3.987 -14.946 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.873 -4.947 -14.500 1.00 0.00 H new ATOM 149 N LEU A 10 -5.884 -0.279 -12.385 1.00 0.00 N ATOM 150 CA LEU A 10 -6.423 0.998 -11.951 1.00 0.00 C ATOM 151 C LEU A 10 -6.094 2.034 -13.012 1.00 0.00 C ATOM 152 O LEU A 10 -4.935 2.173 -13.402 1.00 0.00 O ATOM 153 CB LEU A 10 -5.808 1.391 -10.600 1.00 0.00 C ATOM 154 CG LEU A 10 -6.761 2.001 -9.553 1.00 0.00 C ATOM 155 CD1 LEU A 10 -7.529 3.187 -10.116 1.00 0.00 C ATOM 156 CD2 LEU A 10 -7.720 0.949 -9.018 1.00 0.00 C ATOM 0 H LEU A 10 -4.865 -0.311 -12.426 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.503 0.934 -11.823 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.349 0.503 -10.165 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.006 2.106 -10.787 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.149 2.365 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.190 3.590 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.827 3.959 -10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.121 2.864 -10.972 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.383 1.402 -8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.312 0.546 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.153 0.144 -8.550 1.00 0.00 H new ATOM 168 N LYS A 11 -7.093 2.771 -13.478 1.00 0.00 N ATOM 169 CA LYS A 11 -6.846 3.777 -14.498 1.00 0.00 C ATOM 170 C LYS A 11 -7.071 5.168 -13.936 1.00 0.00 C ATOM 171 O LYS A 11 -8.094 5.442 -13.302 1.00 0.00 O ATOM 172 CB LYS A 11 -7.726 3.574 -15.737 1.00 0.00 C ATOM 173 CG LYS A 11 -7.364 2.353 -16.562 1.00 0.00 C ATOM 174 CD LYS A 11 -8.246 2.238 -17.796 1.00 0.00 C ATOM 175 CE LYS A 11 -7.861 1.041 -18.647 1.00 0.00 C ATOM 176 NZ LYS A 11 -8.724 0.914 -19.854 1.00 0.00 N ATOM 0 H LYS A 11 -8.063 2.694 -13.173 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.806 3.669 -14.806 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.766 3.490 -15.421 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.655 4.460 -16.368 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.318 2.413 -16.864 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.469 1.455 -15.952 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.289 2.149 -17.492 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.164 3.149 -18.389 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.819 1.135 -18.954 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.937 0.132 -18.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.428 0.085 -20.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.715 0.799 -19.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.633 1.770 -20.438 1.00 0.00 H new ATOM 190 N LEU A 12 -6.101 6.035 -14.158 1.00 0.00 N ATOM 191 CA LEU A 12 -6.183 7.404 -13.695 1.00 0.00 C ATOM 192 C LEU A 12 -6.417 8.323 -14.875 1.00 0.00 C ATOM 193 O LEU A 12 -5.642 8.312 -15.833 1.00 0.00 O ATOM 194 CB LEU A 12 -4.889 7.813 -12.986 1.00 0.00 C ATOM 195 CG LEU A 12 -5.057 8.305 -11.547 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.705 8.664 -10.949 1.00 0.00 C ATOM 197 CD2 LEU A 12 -5.999 9.499 -11.487 1.00 0.00 C ATOM 0 H LEU A 12 -5.242 5.811 -14.660 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.011 7.483 -12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.211 6.960 -12.984 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.409 8.600 -13.568 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.495 7.498 -10.960 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.841 9.012 -9.925 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.061 7.784 -10.951 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.243 9.453 -11.542 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.102 9.830 -10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.595 10.312 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.976 9.211 -11.875 1.00 0.00 H new ATOM 209 N TYR A 13 -7.468 9.115 -14.828 1.00 0.00 N ATOM 210 CA TYR A 13 -7.753 10.037 -15.906 1.00 0.00 C ATOM 211 C TYR A 13 -7.261 11.413 -15.491 1.00 0.00 C ATOM 212 O TYR A 13 -7.744 11.977 -14.514 1.00 0.00 O ATOM 213 CB TYR A 13 -9.258 10.062 -16.184 1.00 0.00 C ATOM 214 CG TYR A 13 -9.807 8.726 -16.642 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.267 7.789 -15.722 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.866 8.401 -17.990 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.766 6.569 -16.134 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.365 7.182 -18.410 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.814 6.270 -17.478 1.00 0.00 C ATOM 220 OH TYR A 13 -11.311 5.054 -17.890 1.00 0.00 O ATOM 0 H TYR A 13 -8.136 9.139 -14.058 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.248 9.726 -16.820 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.782 10.371 -15.280 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.467 10.813 -16.946 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.233 8.020 -14.667 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.516 9.112 -18.723 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.117 5.853 -15.406 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.403 6.945 -19.463 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.632 5.128 -18.813 1.00 0.00 H new ATOM 230 N VAL A 14 -6.303 11.949 -16.226 1.00 0.00 N ATOM 231 CA VAL A 14 -5.729 13.243 -15.889 1.00 0.00 C ATOM 232 C VAL A 14 -5.803 14.209 -17.057 1.00 0.00 C ATOM 233 O VAL A 14 -5.959 13.802 -18.211 1.00 0.00 O ATOM 234 CB VAL A 14 -4.258 13.108 -15.437 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.166 12.342 -14.121 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.417 12.431 -16.511 1.00 0.00 C ATOM 0 H VAL A 14 -5.906 11.512 -17.058 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.321 13.639 -15.064 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.862 14.111 -15.279 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.121 12.258 -13.821 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.723 12.874 -13.350 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.587 11.345 -14.250 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.386 12.348 -16.167 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.814 11.436 -16.710 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.448 13.024 -17.425 1.00 0.00 H new ATOM 246 N ALA A 15 -5.678 15.491 -16.753 1.00 0.00 N ATOM 247 CA ALA A 15 -5.730 16.518 -17.774 1.00 0.00 C ATOM 248 C ALA A 15 -4.403 17.261 -17.840 1.00 0.00 C ATOM 249 O ALA A 15 -4.131 18.141 -17.019 1.00 0.00 O ATOM 250 CB ALA A 15 -6.877 17.485 -17.512 1.00 0.00 C ATOM 0 H ALA A 15 -5.540 15.843 -15.806 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.908 16.039 -18.737 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.896 18.247 -18.291 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.821 16.939 -17.515 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.737 17.962 -16.542 1.00 0.00 H new ATOM 256 N GLY A 16 -3.584 16.902 -18.830 1.00 0.00 N ATOM 257 CA GLY A 16 -2.287 17.533 -19.001 1.00 0.00 C ATOM 258 C GLY A 16 -1.384 17.357 -17.797 1.00 0.00 C ATOM 259 O GLY A 16 -1.295 16.266 -17.233 1.00 0.00 O ATOM 0 H GLY A 16 -3.800 16.181 -19.519 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.798 17.114 -19.880 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.428 18.597 -19.191 1.00 0.00 H new ATOM 263 N ASN A 17 -0.726 18.437 -17.397 1.00 0.00 N ATOM 264 CA ASN A 17 0.181 18.408 -16.255 1.00 0.00 C ATOM 265 C ASN A 17 -0.220 19.442 -15.215 1.00 0.00 C ATOM 266 O ASN A 17 0.626 20.174 -14.695 1.00 0.00 O ATOM 267 CB ASN A 17 1.629 18.649 -16.698 1.00 0.00 C ATOM 268 CG ASN A 17 2.234 17.466 -17.432 1.00 0.00 C ATOM 269 OD1 ASN A 17 1.785 16.331 -17.285 1.00 0.00 O ATOM 270 ND2 ASN A 17 3.261 17.726 -18.229 1.00 0.00 N ATOM 0 H ASN A 17 -0.803 19.348 -17.848 1.00 0.00 H new ATOM 0 HA ASN A 17 0.113 17.417 -15.807 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.663 19.526 -17.345 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.237 18.875 -15.822 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.708 16.970 -18.748 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.604 18.682 -18.324 1.00 0.00 H new ATOM 277 N THR A 18 -1.512 19.514 -14.927 1.00 0.00 N ATOM 278 CA THR A 18 -2.008 20.449 -13.931 1.00 0.00 C ATOM 279 C THR A 18 -1.575 19.991 -12.547 1.00 0.00 C ATOM 280 O THR A 18 -1.321 18.803 -12.343 1.00 0.00 O ATOM 281 CB THR A 18 -3.545 20.578 -13.982 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.157 19.300 -13.768 1.00 0.00 O ATOM 283 CG2 THR A 18 -3.996 21.151 -15.316 1.00 0.00 C ATOM 0 H THR A 18 -2.231 18.939 -15.367 1.00 0.00 H new ATOM 0 HA THR A 18 -1.586 21.430 -14.149 1.00 0.00 H new ATOM 0 HB THR A 18 -3.855 21.260 -13.190 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.132 19.395 -13.801 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.083 21.233 -15.328 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.556 22.139 -15.455 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.672 20.493 -16.123 1.00 0.00 H new ATOM 291 N PRO A 19 -1.474 20.915 -11.574 1.00 0.00 N ATOM 292 CA PRO A 19 -1.050 20.568 -10.213 1.00 0.00 C ATOM 293 C PRO A 19 -1.885 19.445 -9.601 1.00 0.00 C ATOM 294 O PRO A 19 -1.349 18.587 -8.911 1.00 0.00 O ATOM 295 CB PRO A 19 -1.220 21.883 -9.448 1.00 0.00 C ATOM 296 CG PRO A 19 -1.061 22.931 -10.494 1.00 0.00 C ATOM 297 CD PRO A 19 -1.715 22.366 -11.722 1.00 0.00 C ATOM 0 HA PRO A 19 -0.032 20.180 -10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.197 21.942 -8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.472 21.987 -8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.534 23.865 -10.190 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.009 23.151 -10.674 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.779 22.599 -11.759 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.271 22.760 -12.636 1.00 0.00 H new ATOM 305 N ASN A 20 -3.192 19.448 -9.867 1.00 0.00 N ATOM 306 CA ASN A 20 -4.068 18.397 -9.335 1.00 0.00 C ATOM 307 C ASN A 20 -3.693 17.042 -9.930 1.00 0.00 C ATOM 308 O ASN A 20 -3.621 16.042 -9.220 1.00 0.00 O ATOM 309 CB ASN A 20 -5.554 18.682 -9.627 1.00 0.00 C ATOM 310 CG ASN A 20 -6.093 19.849 -8.823 1.00 0.00 C ATOM 311 OD1 ASN A 20 -5.529 20.227 -7.797 1.00 0.00 O ATOM 312 ND2 ASN A 20 -7.193 20.428 -9.284 1.00 0.00 N ATOM 0 H ASN A 20 -3.663 20.151 -10.436 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.928 18.382 -8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.678 18.890 -10.690 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.141 17.791 -9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.602 21.217 -8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.630 20.084 -10.139 1.00 0.00 H new ATOM 319 N SER A 21 -3.450 17.023 -11.246 1.00 0.00 N ATOM 320 CA SER A 21 -3.065 15.801 -11.945 1.00 0.00 C ATOM 321 C SER A 21 -1.675 15.345 -11.528 1.00 0.00 C ATOM 322 O SER A 21 -1.460 14.159 -11.292 1.00 0.00 O ATOM 323 CB SER A 21 -3.108 16.020 -13.460 1.00 0.00 C ATOM 324 OG SER A 21 -4.434 16.274 -13.901 1.00 0.00 O ATOM 0 H SER A 21 -3.515 17.845 -11.846 1.00 0.00 H new ATOM 0 HA SER A 21 -3.777 15.022 -11.674 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.465 16.858 -13.728 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.714 15.141 -13.969 1.00 0.00 H new ATOM 0 HG SER A 21 -4.587 17.241 -13.938 1.00 0.00 H new ATOM 330 N VAL A 22 -0.737 16.281 -11.431 1.00 0.00 N ATOM 331 CA VAL A 22 0.622 15.945 -11.026 1.00 0.00 C ATOM 332 C VAL A 22 0.650 15.443 -9.584 1.00 0.00 C ATOM 333 O VAL A 22 1.268 14.420 -9.284 1.00 0.00 O ATOM 334 CB VAL A 22 1.580 17.149 -11.183 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.926 16.869 -10.529 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.759 17.498 -12.652 1.00 0.00 C ATOM 0 H VAL A 22 -0.891 17.270 -11.626 1.00 0.00 H new ATOM 0 HA VAL A 22 0.967 15.149 -11.687 1.00 0.00 H new ATOM 0 HB VAL A 22 1.134 18.004 -10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.579 17.733 -10.655 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.781 16.676 -9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.383 15.997 -10.997 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.436 18.347 -12.744 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.177 16.642 -13.181 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.793 17.756 -13.085 1.00 0.00 H new ATOM 346 N ARG A 23 -0.045 16.159 -8.707 1.00 0.00 N ATOM 347 CA ARG A 23 -0.112 15.806 -7.293 1.00 0.00 C ATOM 348 C ARG A 23 -0.753 14.443 -7.110 1.00 0.00 C ATOM 349 O ARG A 23 -0.245 13.594 -6.372 1.00 0.00 O ATOM 350 CB ARG A 23 -0.942 16.851 -6.556 1.00 0.00 C ATOM 351 CG ARG A 23 -0.931 16.711 -5.048 1.00 0.00 C ATOM 352 CD ARG A 23 -1.528 17.938 -4.376 1.00 0.00 C ATOM 353 NE ARG A 23 -1.546 17.806 -2.921 1.00 0.00 N ATOM 354 CZ ARG A 23 -1.859 18.800 -2.093 1.00 0.00 C ATOM 355 NH1 ARG A 23 -2.177 19.995 -2.578 1.00 0.00 N ATOM 356 NH2 ARG A 23 -1.856 18.596 -0.782 1.00 0.00 N ATOM 0 H ARG A 23 -0.575 16.995 -8.953 1.00 0.00 H new ATOM 0 HA ARG A 23 0.901 15.774 -6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.572 17.842 -6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.972 16.792 -6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.495 15.824 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.092 16.565 -4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.952 18.821 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.544 18.093 -4.739 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.305 16.901 -2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.182 20.152 -3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.417 20.756 -1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.614 17.678 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.096 19.357 -0.147 1.00 0.00 H new ATOM 370 N ALA A 24 -1.877 14.243 -7.790 1.00 0.00 N ATOM 371 CA ALA A 24 -2.596 12.985 -7.704 1.00 0.00 C ATOM 372 C ALA A 24 -1.762 11.837 -8.264 1.00 0.00 C ATOM 373 O ALA A 24 -1.727 10.746 -7.696 1.00 0.00 O ATOM 374 CB ALA A 24 -3.928 13.070 -8.430 1.00 0.00 C ATOM 0 H ALA A 24 -2.306 14.936 -8.404 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.789 12.787 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.447 12.115 -8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.538 13.853 -7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.755 13.303 -9.481 1.00 0.00 H new ATOM 380 N LEU A 25 -1.094 12.101 -9.386 1.00 0.00 N ATOM 381 CA LEU A 25 -0.246 11.109 -10.042 1.00 0.00 C ATOM 382 C LEU A 25 0.894 10.673 -9.125 1.00 0.00 C ATOM 383 O LEU A 25 1.170 9.480 -9.001 1.00 0.00 O ATOM 384 CB LEU A 25 0.309 11.673 -11.355 1.00 0.00 C ATOM 385 CG LEU A 25 1.236 10.742 -12.138 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.511 9.464 -12.537 1.00 0.00 C ATOM 387 CD2 LEU A 25 1.781 11.452 -13.371 1.00 0.00 C ATOM 0 H LEU A 25 -1.125 13.002 -9.863 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.854 10.232 -10.265 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.530 11.943 -11.996 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.851 12.593 -11.134 1.00 0.00 H new ATOM 0 HG LEU A 25 2.072 10.471 -11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.191 8.818 -13.093 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.168 8.945 -11.642 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.346 9.712 -13.163 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.439 10.777 -13.918 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.953 11.752 -14.014 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.341 12.335 -13.064 1.00 0.00 H new ATOM 399 N LYS A 26 1.549 11.638 -8.481 1.00 0.00 N ATOM 400 CA LYS A 26 2.650 11.331 -7.571 1.00 0.00 C ATOM 401 C LYS A 26 2.146 10.516 -6.381 1.00 0.00 C ATOM 402 O LYS A 26 2.804 9.574 -5.938 1.00 0.00 O ATOM 403 CB LYS A 26 3.308 12.620 -7.070 1.00 0.00 C ATOM 404 CG LYS A 26 3.989 13.435 -8.161 1.00 0.00 C ATOM 405 CD LYS A 26 5.166 12.695 -8.777 1.00 0.00 C ATOM 406 CE LYS A 26 5.855 13.543 -9.832 1.00 0.00 C ATOM 407 NZ LYS A 26 7.006 12.832 -10.453 1.00 0.00 N ATOM 0 H LYS A 26 1.338 12.632 -8.572 1.00 0.00 H new ATOM 0 HA LYS A 26 3.389 10.745 -8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.551 13.239 -6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.044 12.367 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.265 13.675 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.334 14.381 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.880 12.428 -7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.820 11.763 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.136 13.815 -10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.203 14.472 -9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.448 13.445 -11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.704 12.595 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.671 11.958 -10.907 1.00 0.00 H new ATOM 421 N THR A 27 0.972 10.889 -5.877 1.00 0.00 N ATOM 422 CA THR A 27 0.350 10.211 -4.745 1.00 0.00 C ATOM 423 C THR A 27 -0.048 8.776 -5.103 1.00 0.00 C ATOM 424 O THR A 27 0.223 7.842 -4.351 1.00 0.00 O ATOM 425 CB THR A 27 -0.896 11.000 -4.289 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.512 12.330 -3.917 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.581 10.335 -3.110 1.00 0.00 C ATOM 0 H THR A 27 0.426 11.669 -6.242 1.00 0.00 H new ATOM 0 HA THR A 27 1.077 10.167 -3.934 1.00 0.00 H new ATOM 0 HB THR A 27 -1.597 11.024 -5.123 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.387 12.872 -4.724 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.453 10.920 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.896 9.330 -3.391 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.887 10.276 -2.272 1.00 0.00 H new ATOM 435 N LEU A 28 -0.668 8.609 -6.267 1.00 0.00 N ATOM 436 CA LEU A 28 -1.120 7.293 -6.715 1.00 0.00 C ATOM 437 C LEU A 28 0.034 6.377 -7.107 1.00 0.00 C ATOM 438 O LEU A 28 0.113 5.240 -6.642 1.00 0.00 O ATOM 439 CB LEU A 28 -2.060 7.438 -7.920 1.00 0.00 C ATOM 440 CG LEU A 28 -3.554 7.256 -7.633 1.00 0.00 C ATOM 441 CD1 LEU A 28 -3.822 5.899 -7.000 1.00 0.00 C ATOM 442 CD2 LEU A 28 -4.072 8.379 -6.750 1.00 0.00 C ATOM 0 H LEU A 28 -0.870 9.368 -6.918 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.641 6.841 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.912 8.427 -8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.764 6.710 -8.676 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.090 7.296 -8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.889 5.793 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.497 5.110 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.273 5.820 -6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.135 8.231 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.529 8.378 -5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.924 9.335 -7.253 1.00 0.00 H new ATOM 454 N ALA A 29 0.937 6.879 -7.950 1.00 0.00 N ATOM 455 CA ALA A 29 2.057 6.081 -8.440 1.00 0.00 C ATOM 456 C ALA A 29 2.984 5.601 -7.331 1.00 0.00 C ATOM 457 O ALA A 29 3.370 4.441 -7.323 1.00 0.00 O ATOM 458 CB ALA A 29 2.847 6.862 -9.479 1.00 0.00 C ATOM 0 H ALA A 29 0.913 7.834 -8.307 1.00 0.00 H new ATOM 0 HA ALA A 29 1.625 5.190 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.679 6.255 -9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.197 7.114 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.232 7.778 -9.030 1.00 0.00 H new ATOM 464 N ASN A 30 3.324 6.469 -6.387 1.00 0.00 N ATOM 465 CA ASN A 30 4.228 6.077 -5.304 1.00 0.00 C ATOM 466 C ASN A 30 3.599 5.001 -4.421 1.00 0.00 C ATOM 467 O ASN A 30 4.265 4.044 -4.032 1.00 0.00 O ATOM 468 CB ASN A 30 4.632 7.289 -4.464 1.00 0.00 C ATOM 469 CG ASN A 30 5.793 6.993 -3.533 1.00 0.00 C ATOM 470 OD1 ASN A 30 6.738 6.299 -3.903 1.00 0.00 O ATOM 471 ND2 ASN A 30 5.728 7.517 -2.316 1.00 0.00 N ATOM 0 H ASN A 30 2.996 7.434 -6.345 1.00 0.00 H new ATOM 0 HA ASN A 30 5.126 5.659 -5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.903 8.111 -5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.776 7.621 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.480 7.349 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.926 8.087 -2.049 1.00 0.00 H new ATOM 478 N ILE A 31 2.322 5.162 -4.103 1.00 0.00 N ATOM 479 CA ILE A 31 1.622 4.183 -3.287 1.00 0.00 C ATOM 480 C ILE A 31 1.533 2.836 -4.012 1.00 0.00 C ATOM 481 O ILE A 31 1.785 1.781 -3.434 1.00 0.00 O ATOM 482 CB ILE A 31 0.233 4.701 -2.871 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.417 5.817 -1.843 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.651 3.589 -2.326 1.00 0.00 C ATOM 485 CD1 ILE A 31 -0.845 6.569 -1.527 1.00 0.00 C ATOM 0 H ILE A 31 1.753 5.957 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 31 2.195 4.027 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.278 5.091 -3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.813 5.388 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.164 6.519 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.621 4.000 -2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.788 2.825 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.178 3.144 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.632 7.344 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.232 7.029 -2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.588 5.880 -1.125 1.00 0.00 H new ATOM 497 N LEU A 32 1.181 2.895 -5.291 1.00 0.00 N ATOM 498 CA LEU A 32 1.066 1.705 -6.130 1.00 0.00 C ATOM 499 C LEU A 32 2.422 1.035 -6.408 1.00 0.00 C ATOM 500 O LEU A 32 2.498 -0.186 -6.511 1.00 0.00 O ATOM 501 CB LEU A 32 0.361 2.060 -7.441 1.00 0.00 C ATOM 502 CG LEU A 32 -1.146 2.323 -7.317 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.672 3.032 -8.552 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.886 1.014 -7.123 1.00 0.00 C ATOM 0 H LEU A 32 0.967 3.766 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 32 0.471 0.977 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.836 2.946 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.515 1.247 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.312 2.964 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.742 3.208 -8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.157 3.986 -8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.495 2.412 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.955 1.210 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.705 0.363 -7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.531 0.527 -6.215 1.00 0.00 H new ATOM 516 N GLU A 33 3.485 1.830 -6.547 1.00 0.00 N ATOM 517 CA GLU A 33 4.818 1.285 -6.845 1.00 0.00 C ATOM 518 C GLU A 33 5.581 0.858 -5.591 1.00 0.00 C ATOM 519 O GLU A 33 6.677 0.307 -5.694 1.00 0.00 O ATOM 520 CB GLU A 33 5.671 2.308 -7.602 1.00 0.00 C ATOM 521 CG GLU A 33 5.083 2.742 -8.934 1.00 0.00 C ATOM 522 CD GLU A 33 5.999 3.671 -9.708 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.070 4.032 -9.179 1.00 0.00 O ATOM 524 OE2 GLU A 33 5.642 4.037 -10.848 1.00 0.00 O ATOM 0 H GLU A 33 3.453 2.846 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 33 4.644 0.402 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.807 3.188 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.660 1.884 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.874 1.859 -9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.130 3.242 -8.759 1.00 0.00 H new ATOM 531 N LYS A 34 5.031 1.121 -4.413 1.00 0.00 N ATOM 532 CA LYS A 34 5.716 0.746 -3.179 1.00 0.00 C ATOM 533 C LYS A 34 4.808 -0.035 -2.235 1.00 0.00 C ATOM 534 O LYS A 34 5.077 -1.194 -1.920 1.00 0.00 O ATOM 535 CB LYS A 34 6.251 1.994 -2.467 1.00 0.00 C ATOM 536 CG LYS A 34 7.749 2.196 -2.641 1.00 0.00 C ATOM 537 CD LYS A 34 8.064 2.979 -3.906 1.00 0.00 C ATOM 538 CE LYS A 34 9.440 2.633 -4.446 1.00 0.00 C ATOM 539 NZ LYS A 34 9.463 1.285 -5.079 1.00 0.00 N ATOM 0 H LYS A 34 4.131 1.583 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 34 6.547 0.097 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.727 2.872 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.023 1.922 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.148 2.725 -1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.246 1.226 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.310 2.766 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.012 4.047 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.743 3.383 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.168 2.666 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.002 1.328 -5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.914 0.606 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.489 0.979 -5.279 1.00 0.00 H new ATOM 553 N GLU A 35 3.733 0.607 -1.793 1.00 0.00 N ATOM 554 CA GLU A 35 2.786 -0.005 -0.863 1.00 0.00 C ATOM 555 C GLU A 35 2.072 -1.220 -1.464 1.00 0.00 C ATOM 556 O GLU A 35 1.879 -2.227 -0.785 1.00 0.00 O ATOM 557 CB GLU A 35 1.759 1.041 -0.414 1.00 0.00 C ATOM 558 CG GLU A 35 2.335 2.113 0.502 1.00 0.00 C ATOM 559 CD GLU A 35 2.916 1.544 1.783 1.00 0.00 C ATOM 560 OE1 GLU A 35 2.220 0.751 2.449 1.00 0.00 O ATOM 561 OE2 GLU A 35 4.067 1.895 2.117 1.00 0.00 O ATOM 0 H GLU A 35 3.492 1.560 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 35 3.355 -0.364 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.333 1.520 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.942 0.537 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.112 2.661 -0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.553 2.830 0.751 1.00 0.00 H new ATOM 568 N PHE A 36 1.680 -1.126 -2.732 1.00 0.00 N ATOM 569 CA PHE A 36 0.979 -2.227 -3.391 1.00 0.00 C ATOM 570 C PHE A 36 1.699 -2.687 -4.657 1.00 0.00 C ATOM 571 O PHE A 36 1.063 -3.153 -5.608 1.00 0.00 O ATOM 572 CB PHE A 36 -0.464 -1.825 -3.711 1.00 0.00 C ATOM 573 CG PHE A 36 -1.323 -1.682 -2.487 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.431 -0.463 -1.836 1.00 0.00 C ATOM 575 CD2 PHE A 36 -2.016 -2.768 -1.982 1.00 0.00 C ATOM 576 CE1 PHE A 36 -2.214 -0.332 -0.705 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.801 -2.644 -0.851 1.00 0.00 C ATOM 578 CZ PHE A 36 -2.899 -1.424 -0.212 1.00 0.00 C ATOM 0 H PHE A 36 1.833 -0.307 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 36 0.969 -3.069 -2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.459 -0.881 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.905 -2.572 -4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.897 0.395 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.943 -3.725 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.290 0.624 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.337 -3.500 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.511 -1.324 0.672 1.00 0.00 H new ATOM 588 N LYS A 37 3.023 -2.547 -4.663 1.00 0.00 N ATOM 589 CA LYS A 37 3.834 -2.948 -5.811 1.00 0.00 C ATOM 590 C LYS A 37 3.669 -4.437 -6.109 1.00 0.00 C ATOM 591 O LYS A 37 3.812 -5.281 -5.223 1.00 0.00 O ATOM 592 CB LYS A 37 5.312 -2.632 -5.550 1.00 0.00 C ATOM 593 CG LYS A 37 6.191 -2.688 -6.794 1.00 0.00 C ATOM 594 CD LYS A 37 6.878 -4.036 -6.942 1.00 0.00 C ATOM 595 CE LYS A 37 7.826 -4.051 -8.131 1.00 0.00 C ATOM 596 NZ LYS A 37 8.522 -5.359 -8.273 1.00 0.00 N ATOM 0 H LYS A 37 3.557 -2.159 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 37 3.491 -2.384 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.387 -1.638 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.698 -3.337 -4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.583 -2.491 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.943 -1.901 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.431 -4.265 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.127 -4.817 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.268 -3.837 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.565 -3.258 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.158 -5.326 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.076 -5.553 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.819 -6.113 -8.409 1.00 0.00 H new ATOM 610 N GLY A 38 3.367 -4.748 -7.365 1.00 0.00 N ATOM 611 CA GLY A 38 3.195 -6.130 -7.770 1.00 0.00 C ATOM 612 C GLY A 38 1.764 -6.614 -7.647 1.00 0.00 C ATOM 613 O GLY A 38 1.441 -7.711 -8.100 1.00 0.00 O ATOM 0 H GLY A 38 3.238 -4.065 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.522 -6.242 -8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.840 -6.763 -7.161 1.00 0.00 H new ATOM 617 N VAL A 39 0.900 -5.807 -7.039 1.00 0.00 N ATOM 618 CA VAL A 39 -0.495 -6.198 -6.876 1.00 0.00 C ATOM 619 C VAL A 39 -1.403 -5.410 -7.821 1.00 0.00 C ATOM 620 O VAL A 39 -2.312 -5.978 -8.432 1.00 0.00 O ATOM 621 CB VAL A 39 -0.983 -6.029 -5.419 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.401 -6.564 -5.255 1.00 0.00 C ATOM 623 CG2 VAL A 39 -0.034 -6.722 -4.450 1.00 0.00 C ATOM 0 H VAL A 39 1.137 -4.892 -6.656 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.551 -7.257 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.993 -4.964 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.722 -6.434 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.075 -6.018 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.422 -7.623 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.396 -6.591 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.013 -7.785 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.961 -6.286 -4.541 1.00 0.00 H new ATOM 633 N TYR A 40 -1.164 -4.108 -7.953 1.00 0.00 N ATOM 634 CA TYR A 40 -1.997 -3.298 -8.840 1.00 0.00 C ATOM 635 C TYR A 40 -1.205 -2.743 -10.016 1.00 0.00 C ATOM 636 O TYR A 40 -0.035 -2.383 -9.883 1.00 0.00 O ATOM 637 CB TYR A 40 -2.645 -2.133 -8.093 1.00 0.00 C ATOM 638 CG TYR A 40 -3.885 -2.467 -7.306 1.00 0.00 C ATOM 639 CD1 TYR A 40 -3.810 -3.076 -6.062 1.00 0.00 C ATOM 640 CD2 TYR A 40 -5.138 -2.132 -7.801 1.00 0.00 C ATOM 641 CE1 TYR A 40 -4.949 -3.346 -5.335 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.281 -2.403 -7.082 1.00 0.00 C ATOM 643 CZ TYR A 40 -6.182 -3.008 -5.853 1.00 0.00 C ATOM 644 OH TYR A 40 -7.319 -3.267 -5.135 1.00 0.00 O ATOM 0 H TYR A 40 -0.421 -3.601 -7.472 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.773 -3.965 -9.216 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.908 -1.709 -7.411 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.895 -1.356 -8.816 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.845 -3.342 -5.657 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.218 -1.651 -8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.877 -3.819 -4.367 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.249 -2.141 -7.482 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.441 -2.573 -4.454 1.00 0.00 H new ATOM 654 N ALA A 41 -1.862 -2.680 -11.167 1.00 0.00 N ATOM 655 CA ALA A 41 -1.260 -2.122 -12.367 1.00 0.00 C ATOM 656 C ALA A 41 -1.845 -0.733 -12.608 1.00 0.00 C ATOM 657 O ALA A 41 -3.066 -0.576 -12.674 1.00 0.00 O ATOM 658 CB ALA A 41 -1.507 -3.031 -13.562 1.00 0.00 C ATOM 0 H ALA A 41 -2.818 -3.011 -11.293 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.181 -2.042 -12.234 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.049 -2.596 -14.451 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.069 -4.011 -13.370 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.580 -3.138 -13.722 1.00 0.00 H new ATOM 664 N LEU A 42 -0.985 0.272 -12.734 1.00 0.00 N ATOM 665 CA LEU A 42 -1.455 1.641 -12.929 1.00 0.00 C ATOM 666 C LEU A 42 -1.450 2.060 -14.393 1.00 0.00 C ATOM 667 O LEU A 42 -0.438 1.955 -15.088 1.00 0.00 O ATOM 668 CB LEU A 42 -0.607 2.625 -12.112 1.00 0.00 C ATOM 669 CG LEU A 42 -0.945 4.109 -12.315 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.371 4.411 -11.878 1.00 0.00 C ATOM 671 CD2 LEU A 42 0.040 4.991 -11.564 1.00 0.00 C ATOM 0 H LEU A 42 0.029 0.168 -12.705 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.488 1.666 -12.581 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.720 2.385 -11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.442 2.471 -12.364 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.864 4.328 -13.380 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.583 5.469 -12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.066 3.812 -12.466 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.487 4.169 -10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.217 6.039 -11.721 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.005 4.762 -10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.049 4.806 -11.933 1.00 0.00 H new ATOM 683 N LYS A 43 -2.605 2.532 -14.844 1.00 0.00 N ATOM 684 CA LYS A 43 -2.776 3.021 -16.201 1.00 0.00 C ATOM 685 C LYS A 43 -3.244 4.471 -16.145 1.00 0.00 C ATOM 686 O LYS A 43 -4.085 4.824 -15.327 1.00 0.00 O ATOM 687 CB LYS A 43 -3.792 2.174 -16.973 1.00 0.00 C ATOM 688 CG LYS A 43 -3.182 1.294 -18.050 1.00 0.00 C ATOM 689 CD LYS A 43 -2.360 0.162 -17.460 1.00 0.00 C ATOM 690 CE LYS A 43 -1.888 -0.792 -18.543 1.00 0.00 C ATOM 691 NZ LYS A 43 -1.071 -1.906 -17.990 1.00 0.00 N ATOM 0 H LYS A 43 -3.450 2.586 -14.276 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.822 2.952 -16.724 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.332 1.543 -16.267 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.525 2.837 -17.434 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.975 0.880 -18.673 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.551 1.900 -18.699 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.499 0.571 -16.931 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.956 -0.381 -16.727 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.752 -1.202 -19.066 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.301 -0.243 -19.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.770 -2.533 -18.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.233 -1.518 -17.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.639 -2.447 -17.307 1.00 0.00 H new ATOM 705 N VAL A 44 -2.687 5.309 -17.006 1.00 0.00 N ATOM 706 CA VAL A 44 -3.046 6.723 -17.047 1.00 0.00 C ATOM 707 C VAL A 44 -3.595 7.104 -18.405 1.00 0.00 C ATOM 708 O VAL A 44 -3.023 6.783 -19.447 1.00 0.00 O ATOM 709 CB VAL A 44 -1.842 7.627 -16.682 1.00 0.00 C ATOM 710 CG1 VAL A 44 -0.589 7.205 -17.436 1.00 0.00 C ATOM 711 CG2 VAL A 44 -2.152 9.095 -16.940 1.00 0.00 C ATOM 0 H VAL A 44 -1.981 5.035 -17.690 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.824 6.880 -16.300 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.655 7.504 -15.615 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.239 7.858 -17.159 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.340 6.175 -17.181 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.767 7.280 -18.509 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.287 9.702 -16.674 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.384 9.238 -17.995 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.007 9.398 -16.336 1.00 0.00 H new ATOM 721 N ILE A 45 -4.728 7.786 -18.370 1.00 0.00 N ATOM 722 CA ILE A 45 -5.403 8.221 -19.563 1.00 0.00 C ATOM 723 C ILE A 45 -5.396 9.746 -19.622 1.00 0.00 C ATOM 724 O ILE A 45 -6.132 10.406 -18.884 1.00 0.00 O ATOM 725 CB ILE A 45 -6.862 7.714 -19.551 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.910 6.204 -19.259 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.582 8.033 -20.860 1.00 0.00 C ATOM 728 CD1 ILE A 45 -6.173 5.344 -20.263 1.00 0.00 C ATOM 0 H ILE A 45 -5.200 8.050 -17.505 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.889 7.818 -20.436 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.385 8.240 -18.752 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.490 6.025 -18.269 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.952 5.887 -19.225 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.605 7.660 -20.813 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.595 9.112 -21.014 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.060 7.554 -21.688 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.260 4.296 -19.978 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.606 5.488 -21.253 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.121 5.628 -20.283 1.00 0.00 H new ATOM 740 N ASP A 46 -4.545 10.302 -20.475 1.00 0.00 N ATOM 741 CA ASP A 46 -4.470 11.754 -20.635 1.00 0.00 C ATOM 742 C ASP A 46 -5.653 12.220 -21.480 1.00 0.00 C ATOM 743 O ASP A 46 -5.652 12.063 -22.703 1.00 0.00 O ATOM 744 CB ASP A 46 -3.150 12.145 -21.313 1.00 0.00 C ATOM 745 CG ASP A 46 -2.905 13.646 -21.320 1.00 0.00 C ATOM 746 OD1 ASP A 46 -3.824 14.413 -20.953 1.00 0.00 O ATOM 747 OD2 ASP A 46 -1.787 14.058 -21.692 1.00 0.00 O ATOM 0 H ASP A 46 -3.900 9.776 -21.065 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.508 12.232 -19.656 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.325 11.651 -20.801 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.153 11.779 -22.340 1.00 0.00 H new ATOM 752 N VAL A 47 -6.648 12.804 -20.824 1.00 0.00 N ATOM 753 CA VAL A 47 -7.861 13.252 -21.508 1.00 0.00 C ATOM 754 C VAL A 47 -7.624 14.432 -22.461 1.00 0.00 C ATOM 755 O VAL A 47 -8.288 14.531 -23.491 1.00 0.00 O ATOM 756 CB VAL A 47 -8.974 13.607 -20.497 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.276 12.410 -19.603 1.00 0.00 C ATOM 758 CG2 VAL A 47 -8.600 14.820 -19.657 1.00 0.00 C ATOM 0 H VAL A 47 -6.642 12.980 -19.819 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.182 12.408 -22.119 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.871 13.862 -21.062 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.062 12.674 -18.895 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.606 11.572 -20.217 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.376 12.127 -19.057 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.406 15.041 -18.957 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.685 14.611 -19.103 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.440 15.679 -20.309 1.00 0.00 H new ATOM 768 N LEU A 48 -6.698 15.329 -22.124 1.00 0.00 N ATOM 769 CA LEU A 48 -6.411 16.476 -22.991 1.00 0.00 C ATOM 770 C LEU A 48 -5.700 16.046 -24.271 1.00 0.00 C ATOM 771 O LEU A 48 -5.942 16.605 -25.341 1.00 0.00 O ATOM 772 CB LEU A 48 -5.589 17.550 -22.270 1.00 0.00 C ATOM 773 CG LEU A 48 -6.340 18.321 -21.180 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.399 19.272 -20.459 1.00 0.00 C ATOM 775 CD2 LEU A 48 -7.515 19.084 -21.777 1.00 0.00 C ATOM 0 H LEU A 48 -6.140 15.288 -21.271 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.375 16.910 -23.257 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.715 17.077 -21.822 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.222 18.262 -23.009 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.728 17.604 -20.457 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.948 19.812 -19.688 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.590 18.704 -19.999 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.983 19.983 -21.173 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.036 19.625 -20.987 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.149 19.791 -22.521 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.202 18.382 -22.250 1.00 0.00 H new ATOM 787 N LYS A 49 -4.817 15.062 -24.148 1.00 0.00 N ATOM 788 CA LYS A 49 -4.065 14.558 -25.293 1.00 0.00 C ATOM 789 C LYS A 49 -4.980 13.791 -26.242 1.00 0.00 C ATOM 790 O LYS A 49 -4.876 13.914 -27.462 1.00 0.00 O ATOM 791 CB LYS A 49 -2.924 13.658 -24.819 1.00 0.00 C ATOM 792 CG LYS A 49 -1.993 13.206 -25.932 1.00 0.00 C ATOM 793 CD LYS A 49 -0.746 12.544 -25.371 1.00 0.00 C ATOM 794 CE LYS A 49 -1.048 11.171 -24.788 1.00 0.00 C ATOM 795 NZ LYS A 49 -1.476 10.203 -25.837 1.00 0.00 N ATOM 0 H LYS A 49 -4.603 14.596 -23.266 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.645 15.408 -25.831 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.343 14.191 -24.066 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.346 12.779 -24.332 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.516 12.508 -26.586 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.709 14.063 -26.543 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.000 12.448 -26.160 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.313 13.180 -24.598 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.162 10.789 -24.281 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.831 11.261 -24.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.091 9.262 -25.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.515 10.155 -25.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.122 10.516 -26.763 1.00 0.00 H new ATOM 809 N ASN A 50 -5.883 12.999 -25.672 1.00 0.00 N ATOM 810 CA ASN A 50 -6.824 12.219 -26.467 1.00 0.00 C ATOM 811 C ASN A 50 -8.252 12.474 -26.019 1.00 0.00 C ATOM 812 O ASN A 50 -8.815 11.713 -25.227 1.00 0.00 O ATOM 813 CB ASN A 50 -6.517 10.727 -26.376 1.00 0.00 C ATOM 814 CG ASN A 50 -5.139 10.371 -26.903 1.00 0.00 C ATOM 815 OD1 ASN A 50 -4.276 9.907 -26.157 1.00 0.00 O ATOM 816 ND2 ASN A 50 -4.923 10.584 -28.196 1.00 0.00 N ATOM 0 H ASN A 50 -5.983 12.881 -24.664 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.716 12.536 -27.504 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.596 10.408 -25.337 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.269 10.172 -26.937 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.015 10.361 -28.605 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.665 10.970 -28.780 1.00 0.00 H new ATOM 823 N PRO A 51 -8.854 13.553 -26.533 1.00 0.00 N ATOM 824 CA PRO A 51 -10.226 13.948 -26.197 1.00 0.00 C ATOM 825 C PRO A 51 -11.250 12.875 -26.557 1.00 0.00 C ATOM 826 O PRO A 51 -12.275 12.732 -25.891 1.00 0.00 O ATOM 827 CB PRO A 51 -10.446 15.214 -27.035 1.00 0.00 C ATOM 828 CG PRO A 51 -9.068 15.708 -27.324 1.00 0.00 C ATOM 829 CD PRO A 51 -8.246 14.477 -27.505 1.00 0.00 C ATOM 0 HA PRO A 51 -10.354 14.104 -25.126 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.990 14.994 -27.953 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.029 15.956 -26.489 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.051 16.329 -28.220 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.688 16.319 -26.505 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.305 14.094 -28.524 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.192 14.656 -27.293 1.00 0.00 H new ATOM 837 N GLN A 52 -10.958 12.127 -27.617 1.00 0.00 N ATOM 838 CA GLN A 52 -11.836 11.059 -28.080 1.00 0.00 C ATOM 839 C GLN A 52 -11.962 9.981 -27.025 1.00 0.00 C ATOM 840 O GLN A 52 -13.053 9.481 -26.771 1.00 0.00 O ATOM 841 CB GLN A 52 -11.290 10.440 -29.370 1.00 0.00 C ATOM 842 CG GLN A 52 -11.331 11.374 -30.572 1.00 0.00 C ATOM 843 CD GLN A 52 -10.033 12.138 -30.765 1.00 0.00 C ATOM 844 OE1 GLN A 52 -9.255 12.315 -29.827 1.00 0.00 O ATOM 845 NE2 GLN A 52 -9.792 12.595 -31.986 1.00 0.00 N ATOM 0 H GLN A 52 -10.112 12.243 -28.175 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.818 11.490 -28.273 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.260 10.126 -29.202 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.863 9.542 -29.601 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.544 10.794 -31.470 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -12.150 12.083 -30.449 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.463 12.426 -32.735 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.935 13.115 -32.176 1.00 0.00 H new ATOM 854 N LEU A 53 -10.844 9.647 -26.392 1.00 0.00 N ATOM 855 CA LEU A 53 -10.843 8.618 -25.367 1.00 0.00 C ATOM 856 C LEU A 53 -11.564 9.114 -24.125 1.00 0.00 C ATOM 857 O LEU A 53 -12.256 8.349 -23.448 1.00 0.00 O ATOM 858 CB LEU A 53 -9.421 8.163 -25.052 1.00 0.00 C ATOM 859 CG LEU A 53 -8.746 7.397 -26.191 1.00 0.00 C ATOM 860 CD1 LEU A 53 -7.272 7.173 -25.894 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.448 6.070 -26.433 1.00 0.00 C ATOM 0 H LEU A 53 -9.934 10.072 -26.571 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.382 7.748 -25.743 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.817 9.037 -24.807 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.441 7.531 -24.164 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.823 7.999 -27.096 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.814 6.626 -26.718 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.774 8.136 -25.776 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.170 6.596 -24.975 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.953 5.540 -27.247 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.405 5.465 -25.527 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.489 6.252 -26.699 1.00 0.00 H new ATOM 873 N ALA A 54 -11.393 10.405 -23.824 1.00 0.00 N ATOM 874 CA ALA A 54 -12.054 11.011 -22.677 1.00 0.00 C ATOM 875 C ALA A 54 -13.561 10.980 -22.875 1.00 0.00 C ATOM 876 O ALA A 54 -14.317 10.701 -21.948 1.00 0.00 O ATOM 877 CB ALA A 54 -11.582 12.441 -22.482 1.00 0.00 C ATOM 0 H ALA A 54 -10.804 11.043 -24.359 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.798 10.440 -21.784 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.087 12.877 -21.620 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.505 12.449 -22.313 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.814 13.025 -23.372 1.00 0.00 H new ATOM 883 N GLU A 55 -13.980 11.282 -24.101 1.00 0.00 N ATOM 884 CA GLU A 55 -15.390 11.271 -24.476 1.00 0.00 C ATOM 885 C GLU A 55 -15.937 9.847 -24.445 1.00 0.00 C ATOM 886 O GLU A 55 -17.078 9.625 -24.041 1.00 0.00 O ATOM 887 CB GLU A 55 -15.592 11.884 -25.864 1.00 0.00 C ATOM 888 CG GLU A 55 -17.052 11.983 -26.281 1.00 0.00 C ATOM 889 CD GLU A 55 -17.235 12.623 -27.644 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.217 12.983 -28.274 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.396 12.765 -28.080 1.00 0.00 O ATOM 0 H GLU A 55 -13.352 11.541 -24.862 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.937 11.875 -23.752 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.150 12.880 -25.879 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.053 11.285 -26.598 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.490 10.985 -26.292 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.599 12.562 -25.537 1.00 0.00 H new ATOM 898 N GLU A 56 -15.116 8.889 -24.876 1.00 0.00 N ATOM 899 CA GLU A 56 -15.524 7.486 -24.899 1.00 0.00 C ATOM 900 C GLU A 56 -15.864 7.006 -23.490 1.00 0.00 C ATOM 901 O GLU A 56 -16.832 6.272 -23.297 1.00 0.00 O ATOM 902 CB GLU A 56 -14.420 6.605 -25.494 1.00 0.00 C ATOM 903 CG GLU A 56 -14.165 6.839 -26.979 1.00 0.00 C ATOM 904 CD GLU A 56 -13.157 5.867 -27.561 1.00 0.00 C ATOM 905 OE1 GLU A 56 -12.634 5.025 -26.802 1.00 0.00 O ATOM 906 OE2 GLU A 56 -12.891 5.948 -28.779 1.00 0.00 O ATOM 0 H GLU A 56 -14.168 9.059 -25.213 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.411 7.405 -25.527 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.495 6.782 -24.946 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.685 5.559 -25.343 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.105 6.750 -27.523 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.807 7.858 -27.126 1.00 0.00 H new ATOM 913 N ASP A 57 -15.068 7.421 -22.502 1.00 0.00 N ATOM 914 CA ASP A 57 -15.330 7.032 -21.117 1.00 0.00 C ATOM 915 C ASP A 57 -16.086 8.132 -20.372 1.00 0.00 C ATOM 916 O ASP A 57 -16.259 8.056 -19.154 1.00 0.00 O ATOM 917 CB ASP A 57 -14.035 6.655 -20.380 1.00 0.00 C ATOM 918 CG ASP A 57 -13.455 5.333 -20.843 1.00 0.00 C ATOM 919 OD1 ASP A 57 -14.169 4.572 -21.528 1.00 0.00 O ATOM 920 OD2 ASP A 57 -12.280 5.057 -20.514 1.00 0.00 O ATOM 0 H ASP A 57 -14.250 8.016 -22.632 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.962 6.144 -21.141 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.296 7.442 -20.529 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.234 6.603 -19.310 1.00 0.00 H new ATOM 925 N LYS A 58 -16.536 9.145 -21.122 1.00 0.00 N ATOM 926 CA LYS A 58 -17.312 10.270 -20.582 1.00 0.00 C ATOM 927 C LYS A 58 -16.648 10.917 -19.366 1.00 0.00 C ATOM 928 O LYS A 58 -17.276 11.097 -18.320 1.00 0.00 O ATOM 929 CB LYS A 58 -18.734 9.821 -20.243 1.00 0.00 C ATOM 930 CG LYS A 58 -19.521 9.343 -21.456 1.00 0.00 C ATOM 931 CD LYS A 58 -20.963 9.005 -21.100 1.00 0.00 C ATOM 932 CE LYS A 58 -21.050 7.778 -20.205 1.00 0.00 C ATOM 933 NZ LYS A 58 -20.518 6.560 -20.878 1.00 0.00 N ATOM 0 H LYS A 58 -16.371 9.208 -22.127 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.351 11.032 -21.360 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.688 9.017 -19.509 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.267 10.649 -19.776 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.508 10.116 -22.225 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.036 8.464 -21.880 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.422 9.856 -20.597 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.532 8.830 -22.013 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.491 7.958 -19.287 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.088 7.610 -19.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.834 5.713 -20.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.870 6.522 -21.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.479 6.593 -20.885 1.00 0.00 H new ATOM 947 N ILE A 59 -15.380 11.276 -19.513 1.00 0.00 N ATOM 948 CA ILE A 59 -14.636 11.902 -18.430 1.00 0.00 C ATOM 949 C ILE A 59 -14.855 13.415 -18.432 1.00 0.00 C ATOM 950 O ILE A 59 -14.373 14.122 -19.318 1.00 0.00 O ATOM 951 CB ILE A 59 -13.128 11.596 -18.554 1.00 0.00 C ATOM 952 CG1 ILE A 59 -12.898 10.083 -18.608 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.350 12.216 -17.400 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.409 9.344 -17.391 1.00 0.00 C ATOM 0 H ILE A 59 -14.846 11.144 -20.372 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.003 11.491 -17.490 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.763 12.038 -19.481 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.386 9.682 -19.496 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.831 9.891 -18.717 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.290 11.986 -17.510 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.489 13.297 -17.406 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.713 11.809 -16.456 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.210 8.278 -17.503 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.903 9.716 -16.500 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.483 9.504 -17.292 1.00 0.00 H new ATOM 966 N LEU A 60 -15.593 13.903 -17.437 1.00 0.00 N ATOM 967 CA LEU A 60 -15.883 15.330 -17.327 1.00 0.00 C ATOM 968 C LEU A 60 -15.080 15.996 -16.208 1.00 0.00 C ATOM 969 O LEU A 60 -15.114 17.216 -16.057 1.00 0.00 O ATOM 970 CB LEU A 60 -17.380 15.548 -17.088 1.00 0.00 C ATOM 971 CG LEU A 60 -18.305 15.000 -18.179 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.763 15.204 -17.795 1.00 0.00 C ATOM 973 CD2 LEU A 60 -18.010 15.667 -19.516 1.00 0.00 C ATOM 0 H LEU A 60 -16.000 13.332 -16.697 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.589 15.793 -18.269 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.651 15.085 -16.139 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.562 16.618 -16.984 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.120 13.930 -18.279 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.405 14.809 -18.582 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -19.970 14.681 -16.861 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -19.960 16.268 -17.667 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.677 15.265 -20.278 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.166 16.742 -19.428 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.976 15.472 -19.799 1.00 0.00 H new ATOM 985 N ALA A 61 -14.356 15.197 -15.428 1.00 0.00 N ATOM 986 CA ALA A 61 -13.561 15.732 -14.326 1.00 0.00 C ATOM 987 C ALA A 61 -12.260 14.959 -14.160 1.00 0.00 C ATOM 988 O ALA A 61 -12.235 13.741 -14.309 1.00 0.00 O ATOM 989 CB ALA A 61 -14.362 15.697 -13.030 1.00 0.00 C ATOM 0 H ALA A 61 -14.303 14.184 -15.537 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.313 16.767 -14.562 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.757 16.099 -12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.264 16.299 -13.143 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.639 14.668 -12.801 1.00 0.00 H new ATOM 995 N THR A 62 -11.189 15.677 -13.834 1.00 0.00 N ATOM 996 CA THR A 62 -9.878 15.082 -13.638 1.00 0.00 C ATOM 997 C THR A 62 -9.198 15.685 -12.409 1.00 0.00 C ATOM 998 O THR A 62 -9.400 16.860 -12.098 1.00 0.00 O ATOM 999 CB THR A 62 -8.956 15.327 -14.855 1.00 0.00 C ATOM 1000 OG1 THR A 62 -8.849 16.734 -15.104 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.465 14.629 -16.107 1.00 0.00 C ATOM 0 H THR A 62 -11.209 16.688 -13.699 1.00 0.00 H new ATOM 0 HA THR A 62 -10.032 14.011 -13.507 1.00 0.00 H new ATOM 0 HB THR A 62 -7.978 14.910 -14.615 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.319 16.956 -15.935 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.786 14.829 -16.936 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.515 13.555 -15.930 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.459 15.003 -16.353 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.379 14.893 -11.699 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.149 13.488 -12.033 1.00 0.00 C ATOM 1011 C PRO A 63 -9.308 12.585 -11.610 1.00 0.00 C ATOM 1012 O PRO A 63 -10.042 12.885 -10.667 1.00 0.00 O ATOM 1013 CB PRO A 63 -6.880 13.149 -11.258 1.00 0.00 C ATOM 1014 CG PRO A 63 -6.890 14.063 -10.088 1.00 0.00 C ATOM 1015 CD PRO A 63 -7.591 15.321 -10.527 1.00 0.00 C ATOM 0 HA PRO A 63 -8.061 13.331 -13.108 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.876 12.105 -10.944 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.991 13.301 -11.870 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.407 13.606 -9.244 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.874 14.281 -9.759 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.230 15.719 -9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.880 16.105 -10.787 1.00 0.00 H new ATOM 1023 N THR A 64 -9.459 11.479 -12.320 1.00 0.00 N ATOM 1024 CA THR A 64 -10.506 10.507 -12.026 1.00 0.00 C ATOM 1025 C THR A 64 -9.889 9.143 -11.734 1.00 0.00 C ATOM 1026 O THR A 64 -9.062 8.651 -12.503 1.00 0.00 O ATOM 1027 CB THR A 64 -11.492 10.340 -13.200 1.00 0.00 C ATOM 1028 OG1 THR A 64 -11.259 11.346 -14.189 1.00 0.00 O ATOM 1029 CG2 THR A 64 -12.936 10.406 -12.721 1.00 0.00 C ATOM 0 H THR A 64 -8.866 11.228 -13.111 1.00 0.00 H new ATOM 0 HA THR A 64 -11.049 10.885 -11.159 1.00 0.00 H new ATOM 0 HB THR A 64 -11.324 9.358 -13.641 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.492 12.225 -13.823 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.607 10.285 -13.571 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.117 9.609 -12.000 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.119 11.371 -12.249 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.293 8.539 -10.624 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.792 7.226 -10.240 1.00 0.00 C ATOM 1039 C LEU A 65 -10.838 6.161 -10.529 1.00 0.00 C ATOM 1040 O LEU A 65 -11.932 6.199 -9.977 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.450 7.192 -8.746 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.203 7.967 -8.326 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -8.143 8.088 -6.811 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -6.954 7.275 -8.845 1.00 0.00 C ATOM 0 H LEU A 65 -10.968 8.939 -9.972 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.891 7.027 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.301 7.584 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.325 6.152 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.254 8.967 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.249 8.643 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.027 8.615 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.110 7.093 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.072 7.838 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.901 6.266 -8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.992 7.224 -9.933 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.510 5.216 -11.396 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.442 4.147 -11.720 1.00 0.00 C ATOM 1058 C ALA A 66 -10.727 2.819 -11.896 1.00 0.00 C ATOM 1059 O ALA A 66 -9.716 2.717 -12.592 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.245 4.475 -12.968 1.00 0.00 C ATOM 0 H ALA A 66 -9.615 5.167 -11.884 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.129 4.057 -10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.932 3.657 -13.184 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.812 5.392 -12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.568 4.612 -13.811 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.275 1.803 -11.245 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.744 0.461 -11.324 1.00 0.00 C ATOM 1068 C LYS A 67 -11.507 -0.276 -12.406 1.00 0.00 C ATOM 1069 O LYS A 67 -12.659 -0.659 -12.206 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.917 -0.253 -9.978 1.00 0.00 C ATOM 1071 CG LYS A 67 -10.613 -1.746 -10.020 1.00 0.00 C ATOM 1072 CD LYS A 67 -11.128 -2.466 -8.781 1.00 0.00 C ATOM 1073 CE LYS A 67 -10.020 -2.738 -7.773 1.00 0.00 C ATOM 1074 NZ LYS A 67 -10.498 -3.586 -6.648 1.00 0.00 N ATOM 0 H LYS A 67 -12.099 1.891 -10.650 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.680 0.486 -11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.265 0.219 -9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.941 -0.112 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.067 -2.184 -10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.537 -1.895 -10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.906 -1.865 -8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.589 -3.409 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.186 -3.232 -8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.643 -1.793 -7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.727 -3.723 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.299 -3.119 -6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.803 -4.510 -7.015 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.882 -0.460 -13.553 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.542 -1.140 -14.651 1.00 0.00 C ATOM 1090 C VAL A 68 -11.494 -2.649 -14.469 1.00 0.00 C ATOM 1091 O VAL A 68 -12.380 -3.367 -14.934 1.00 0.00 O ATOM 1092 CB VAL A 68 -10.938 -0.743 -16.012 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.178 0.734 -16.286 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -9.451 -1.065 -16.066 1.00 0.00 C ATOM 0 H VAL A 68 -9.929 -0.152 -13.748 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.585 -0.824 -14.643 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.434 -1.326 -16.788 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.746 1.000 -17.251 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.250 0.932 -16.302 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.710 1.330 -15.502 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.051 -0.775 -17.037 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.931 -0.516 -15.281 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.305 -2.135 -15.919 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.460 -3.129 -13.783 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.315 -4.563 -13.548 1.00 0.00 C ATOM 1106 C LEU A 69 -9.856 -4.840 -12.122 1.00 0.00 C ATOM 1107 O LEU A 69 -9.005 -4.123 -11.598 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.306 -5.174 -14.534 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.693 -5.098 -16.016 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.529 -5.532 -16.893 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -10.914 -5.960 -16.300 1.00 0.00 C ATOM 0 H LEU A 69 -9.718 -2.554 -13.384 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.292 -5.021 -13.700 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.348 -4.672 -14.402 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.157 -6.221 -14.270 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.940 -4.062 -16.249 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.821 -5.472 -17.941 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.676 -4.877 -16.716 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.254 -6.559 -16.651 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.170 -5.891 -17.357 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.694 -6.997 -16.047 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.754 -5.611 -15.699 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.393 -5.891 -11.469 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.429 -6.774 -12.032 1.00 0.00 C ATOM 1125 C PRO A 70 -12.810 -6.108 -12.057 1.00 0.00 C ATOM 1126 O PRO A 70 -13.095 -5.245 -11.227 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.441 -7.978 -11.072 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.245 -7.801 -10.192 1.00 0.00 C ATOM 1129 CD PRO A 70 -10.014 -6.323 -10.120 1.00 0.00 C ATOM 0 HA PRO A 70 -11.214 -7.038 -13.068 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.359 -8.003 -10.485 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.388 -8.918 -11.621 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.422 -8.219 -9.201 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.376 -8.314 -10.604 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.627 -5.851 -9.353 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.976 -6.083 -9.891 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.680 -6.494 -13.015 1.00 0.00 N ATOM 1138 CA PRO A 71 -15.046 -5.954 -13.121 1.00 0.00 C ATOM 1139 C PRO A 71 -15.878 -6.248 -11.869 1.00 0.00 C ATOM 1140 O PRO A 71 -15.648 -7.256 -11.196 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.632 -6.689 -14.332 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.446 -7.137 -15.109 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.401 -7.465 -14.084 1.00 0.00 C ATOM 0 HA PRO A 71 -15.048 -4.869 -13.225 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.246 -7.535 -14.023 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.269 -6.032 -14.924 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.683 -8.007 -15.721 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.101 -6.355 -15.786 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.489 -8.492 -13.731 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.393 -7.350 -14.482 1.00 0.00 H new ATOM 1151 N PRO A 72 -16.871 -5.396 -11.533 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.224 -4.189 -12.300 1.00 0.00 C ATOM 1153 C PRO A 72 -16.273 -3.015 -12.065 1.00 0.00 C ATOM 1154 O PRO A 72 -15.440 -3.044 -11.160 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.621 -3.856 -11.779 1.00 0.00 C ATOM 1156 CG PRO A 72 -18.603 -4.325 -10.366 1.00 0.00 C ATOM 1157 CD PRO A 72 -17.748 -5.565 -10.355 1.00 0.00 C ATOM 0 HA PRO A 72 -17.168 -4.365 -13.374 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.826 -2.787 -11.842 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.393 -4.363 -12.357 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.192 -3.561 -9.706 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.611 -4.542 -10.013 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.171 -5.645 -9.434 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.352 -6.469 -10.432 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.413 -1.981 -12.892 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.575 -0.792 -12.789 1.00 0.00 C ATOM 1167 C VAL A 73 -15.958 0.046 -11.565 1.00 0.00 C ATOM 1168 O VAL A 73 -17.122 0.410 -11.386 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.685 0.078 -14.063 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.836 1.338 -13.949 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.292 -0.727 -15.294 1.00 0.00 C ATOM 0 H VAL A 73 -17.102 -1.944 -13.643 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.545 -1.130 -12.679 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.725 0.388 -14.169 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.935 1.927 -14.860 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.173 1.928 -13.097 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.791 1.061 -13.808 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.375 -0.099 -16.181 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.264 -1.073 -15.189 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.955 -1.586 -15.394 1.00 0.00 H new ATOM 1181 N ARG A 74 -14.967 0.345 -10.731 1.00 0.00 N ATOM 1182 CA ARG A 74 -15.182 1.137 -9.523 1.00 0.00 C ATOM 1183 C ARG A 74 -14.554 2.515 -9.661 1.00 0.00 C ATOM 1184 O ARG A 74 -13.346 2.642 -9.841 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.601 0.403 -8.305 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.547 1.239 -7.031 1.00 0.00 C ATOM 1187 CD ARG A 74 -15.936 1.637 -6.554 1.00 0.00 C ATOM 1188 NE ARG A 74 -16.736 0.480 -6.163 1.00 0.00 N ATOM 1189 CZ ARG A 74 -18.021 0.550 -5.828 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -18.646 1.720 -5.831 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -18.680 -0.551 -5.487 1.00 0.00 N ATOM 0 H ARG A 74 -14.001 0.049 -10.870 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.255 1.267 -9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.198 -0.489 -8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.593 0.066 -8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.042 0.674 -6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.954 2.136 -7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.847 2.318 -5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.449 2.180 -7.347 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.284 -0.434 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.141 2.567 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.632 1.772 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -18.201 -1.451 -5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.666 -0.497 -5.230 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.381 3.548 -9.566 1.00 0.00 N ATOM 1206 CA ARG A 75 -14.895 4.912 -9.670 1.00 0.00 C ATOM 1207 C ARG A 75 -14.804 5.563 -8.299 1.00 0.00 C ATOM 1208 O ARG A 75 -15.791 5.654 -7.566 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.789 5.747 -10.581 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.615 5.439 -12.057 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.473 6.346 -12.921 1.00 0.00 C ATOM 1212 NE ARG A 75 -17.898 6.029 -12.812 1.00 0.00 N ATOM 1213 CZ ARG A 75 -18.795 6.817 -12.223 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.424 7.977 -11.693 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -20.067 6.445 -12.167 1.00 0.00 N ATOM 0 H ARG A 75 -16.387 3.465 -9.418 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.897 4.870 -10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.830 5.581 -10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.579 6.803 -10.412 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.567 5.557 -12.333 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.879 4.399 -12.246 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.310 7.383 -12.629 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.161 6.255 -13.961 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.224 5.149 -13.212 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.447 8.268 -11.736 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.116 8.577 -11.243 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.357 5.556 -12.575 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.755 7.048 -11.716 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.609 6.011 -7.969 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.351 6.675 -6.703 1.00 0.00 C ATOM 1231 C ILE A 76 -13.236 8.185 -6.927 1.00 0.00 C ATOM 1232 O ILE A 76 -12.323 8.649 -7.613 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.053 6.147 -6.060 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.151 4.632 -5.876 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -11.794 6.833 -4.722 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -10.860 3.999 -5.426 1.00 0.00 C ATOM 0 H ILE A 76 -12.789 5.926 -8.569 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.181 6.465 -6.028 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.215 6.373 -6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.929 4.412 -5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.461 4.178 -6.818 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.873 6.445 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.698 7.908 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.626 6.637 -4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.001 2.924 -5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.084 4.189 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.560 4.426 -4.469 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.165 8.945 -6.356 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.163 10.397 -6.515 1.00 0.00 C ATOM 1250 C ILE A 77 -14.068 11.092 -5.159 1.00 0.00 C ATOM 1251 O ILE A 77 -14.846 10.805 -4.249 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.428 10.892 -7.256 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.653 10.084 -8.537 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.315 12.376 -7.587 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -16.828 9.135 -8.455 1.00 0.00 C ATOM 0 H ILE A 77 -14.926 8.583 -5.781 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.288 10.650 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.283 10.748 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.809 10.772 -9.368 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -14.751 9.514 -8.760 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.215 12.702 -8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.202 12.947 -6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.447 12.541 -8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -16.927 8.596 -9.397 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.665 8.423 -7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.740 9.701 -8.263 1.00 0.00 H new ATOM 1267 N GLY A 78 -13.107 12.000 -5.029 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.922 12.721 -3.784 1.00 0.00 C ATOM 1269 C GLY A 78 -11.583 13.426 -3.738 1.00 0.00 C ATOM 1270 O GLY A 78 -10.976 13.671 -4.781 1.00 0.00 O ATOM 0 H GLY A 78 -12.450 12.250 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.722 13.452 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.997 12.027 -2.947 1.00 0.00 H new ATOM 1274 N ASP A 79 -11.118 13.753 -2.538 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.831 14.423 -2.387 1.00 0.00 C ATOM 1276 C ASP A 79 -8.711 13.390 -2.454 1.00 0.00 C ATOM 1277 O ASP A 79 -8.370 12.759 -1.455 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.770 15.184 -1.060 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.475 15.952 -0.893 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -8.212 16.855 -1.717 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.728 15.655 0.062 1.00 0.00 O ATOM 0 H ASP A 79 -11.607 13.567 -1.662 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.709 15.143 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.610 15.877 -1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.881 14.480 -0.235 1.00 0.00 H new ATOM 1286 N LEU A 80 -8.139 13.234 -3.640 1.00 0.00 N ATOM 1287 CA LEU A 80 -7.081 12.252 -3.859 1.00 0.00 C ATOM 1288 C LEU A 80 -5.689 12.831 -3.611 1.00 0.00 C ATOM 1289 O LEU A 80 -4.695 12.112 -3.692 1.00 0.00 O ATOM 1290 CB LEU A 80 -7.157 11.688 -5.285 1.00 0.00 C ATOM 1291 CG LEU A 80 -8.032 12.476 -6.269 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -7.365 13.790 -6.650 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.317 11.646 -7.510 1.00 0.00 C ATOM 0 H LEU A 80 -8.389 13.775 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.241 11.451 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.146 11.635 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.533 10.666 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.979 12.702 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.002 14.333 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.211 14.393 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.403 13.587 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.939 12.220 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.378 11.389 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.839 10.733 -7.225 1.00 0.00 H new ATOM 1305 N SER A 81 -5.613 14.128 -3.333 1.00 0.00 N ATOM 1306 CA SER A 81 -4.327 14.767 -3.059 1.00 0.00 C ATOM 1307 C SER A 81 -3.745 14.272 -1.733 1.00 0.00 C ATOM 1308 O SER A 81 -2.545 14.380 -1.486 1.00 0.00 O ATOM 1309 CB SER A 81 -4.477 16.288 -3.050 1.00 0.00 C ATOM 1310 OG SER A 81 -5.327 16.715 -1.997 1.00 0.00 O ATOM 0 H SER A 81 -6.417 14.754 -3.291 1.00 0.00 H new ATOM 0 HA SER A 81 -3.633 14.495 -3.854 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.497 16.752 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.882 16.622 -4.005 1.00 0.00 H new ATOM 0 HG SER A 81 -6.263 16.617 -2.271 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.616 13.736 -0.884 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.208 13.193 0.405 1.00 0.00 C ATOM 1318 C ASN A 82 -3.786 11.736 0.232 1.00 0.00 C ATOM 1319 O ASN A 82 -4.575 10.902 -0.221 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.351 13.310 1.415 1.00 0.00 C ATOM 1321 CG ASN A 82 -4.971 12.839 2.812 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -3.830 12.455 3.072 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -5.934 12.867 3.725 1.00 0.00 N ATOM 0 H ASN A 82 -5.617 13.666 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.361 13.763 0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.677 14.349 1.466 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.201 12.726 1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.741 12.564 4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.867 13.192 3.472 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.540 11.440 0.598 1.00 0.00 N ATOM 1331 CA ARG A 83 -1.998 10.089 0.456 1.00 0.00 C ATOM 1332 C ARG A 83 -2.803 9.074 1.265 1.00 0.00 C ATOM 1333 O ARG A 83 -2.981 7.938 0.825 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.519 10.043 0.855 1.00 0.00 C ATOM 1335 CG ARG A 83 0.404 10.760 -0.118 1.00 0.00 C ATOM 1336 CD ARG A 83 1.868 10.479 0.194 1.00 0.00 C ATOM 1337 NE ARG A 83 2.266 11.012 1.495 1.00 0.00 N ATOM 1338 CZ ARG A 83 2.716 12.251 1.684 1.00 0.00 C ATOM 1339 NH1 ARG A 83 2.825 13.086 0.658 1.00 0.00 N ATOM 1340 NH2 ARG A 83 3.057 12.654 2.902 1.00 0.00 N ATOM 0 H ARG A 83 -1.887 12.116 0.995 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.078 9.817 -0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.405 10.488 1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.207 9.002 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.180 10.442 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.220 11.833 -0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.042 9.403 0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.494 10.917 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 83 2.195 10.398 2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.564 12.779 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.170 14.034 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.974 12.015 3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.402 13.603 3.047 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.285 9.472 2.439 1.00 0.00 N ATOM 1355 CA GLU A 84 -4.079 8.573 3.275 1.00 0.00 C ATOM 1356 C GLU A 84 -5.352 8.109 2.580 1.00 0.00 C ATOM 1357 O GLU A 84 -5.670 6.926 2.627 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.428 9.241 4.601 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.248 9.335 5.549 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.529 10.209 6.756 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -4.515 10.977 6.717 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -2.764 10.126 7.739 1.00 0.00 O ATOM 0 H GLU A 84 -3.142 10.403 2.832 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.465 7.692 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.811 10.243 4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.230 8.681 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.979 8.334 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.387 9.733 5.011 1.00 0.00 H new ATOM 1369 N LYS A 85 -6.079 9.012 1.924 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.301 8.606 1.229 1.00 0.00 C ATOM 1371 C LYS A 85 -6.974 7.663 0.080 1.00 0.00 C ATOM 1372 O LYS A 85 -7.693 6.690 -0.148 1.00 0.00 O ATOM 1373 CB LYS A 85 -8.109 9.804 0.731 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.801 10.591 1.831 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.589 11.755 1.250 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.228 12.600 2.342 1.00 0.00 C ATOM 1377 NZ LYS A 85 -11.213 11.821 3.142 1.00 0.00 N ATOM 0 H LYS A 85 -5.852 10.004 1.859 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.923 8.079 1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.445 10.473 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.860 9.452 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.470 9.935 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.060 10.965 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.928 12.378 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.363 11.374 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.452 12.989 3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.725 13.460 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.735 12.464 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.881 11.345 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.712 11.110 3.712 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.895 7.950 -0.640 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.466 7.094 -1.738 1.00 0.00 C ATOM 1393 C VAL A 86 -5.090 5.708 -1.211 1.00 0.00 C ATOM 1394 O VAL A 86 -5.473 4.692 -1.789 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.284 7.716 -2.521 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.716 6.725 -3.527 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.748 8.982 -3.222 1.00 0.00 C ATOM 0 H VAL A 86 -5.304 8.766 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.302 6.997 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.490 7.967 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.887 7.186 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.360 5.838 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.494 6.440 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.915 9.419 -3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.554 8.740 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.108 9.697 -2.482 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.360 5.681 -0.099 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.942 4.427 0.522 1.00 0.00 C ATOM 1409 C LEU A 87 -5.123 3.665 1.110 1.00 0.00 C ATOM 1410 O LEU A 87 -5.270 2.472 0.870 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.924 4.694 1.630 1.00 0.00 C ATOM 1412 CG LEU A 87 -1.496 4.239 1.345 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -0.543 4.846 2.366 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.418 2.716 1.365 1.00 0.00 C ATOM 0 H LEU A 87 -4.044 6.517 0.392 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.491 3.818 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.910 5.765 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.268 4.201 2.539 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.201 4.583 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.474 4.516 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.591 5.933 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.829 4.524 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.395 2.401 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.721 2.349 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.082 2.308 0.603 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.958 4.356 1.875 1.00 0.00 N ATOM 1427 CA ILE A 88 -7.115 3.731 2.506 1.00 0.00 C ATOM 1428 C ILE A 88 -8.094 3.174 1.469 1.00 0.00 C ATOM 1429 O ILE A 88 -8.536 2.028 1.582 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.826 4.726 3.450 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -6.927 4.990 4.663 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -9.187 4.194 3.884 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.330 6.197 5.479 1.00 0.00 C ATOM 0 H ILE A 88 -5.856 5.351 2.074 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.752 2.891 3.098 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.002 5.662 2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.936 4.110 5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.901 5.123 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.665 4.915 4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.814 4.038 3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.057 3.248 4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.644 6.314 6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.293 7.088 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.344 6.060 5.855 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.422 3.975 0.456 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.339 3.536 -0.593 1.00 0.00 C ATOM 1447 C ALA A 89 -8.758 2.365 -1.384 1.00 0.00 C ATOM 1448 O ALA A 89 -9.466 1.408 -1.701 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.691 4.690 -1.520 1.00 0.00 C ATOM 0 H ALA A 89 -8.069 4.925 0.340 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.254 3.191 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.375 4.340 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.168 5.485 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.783 5.073 -1.985 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.464 2.449 -1.697 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.783 1.394 -2.445 1.00 0.00 C ATOM 1457 C LEU A 90 -6.690 0.119 -1.603 1.00 0.00 C ATOM 1458 O LEU A 90 -6.860 -0.989 -2.116 1.00 0.00 O ATOM 1459 CB LEU A 90 -5.389 1.855 -2.888 1.00 0.00 C ATOM 1460 CG LEU A 90 -4.621 0.861 -3.754 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -5.371 0.601 -5.053 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -3.226 1.389 -4.037 1.00 0.00 C ATOM 0 H LEU A 90 -6.868 3.237 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.366 1.175 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.491 2.790 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.796 2.072 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.533 -0.083 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.811 -0.110 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.355 0.190 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.484 1.536 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.685 0.673 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.297 2.342 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.693 1.532 -3.097 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.418 0.289 -0.306 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.310 -0.832 0.627 1.00 0.00 C ATOM 1476 C ARG A 91 -7.635 -1.588 0.714 1.00 0.00 C ATOM 1477 O ARG A 91 -7.657 -2.820 0.698 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.911 -0.325 2.018 1.00 0.00 C ATOM 1479 CG ARG A 91 -5.695 -1.432 3.040 1.00 0.00 C ATOM 1480 CD ARG A 91 -5.253 -0.870 4.382 1.00 0.00 C ATOM 1481 NE ARG A 91 -6.292 -0.053 5.004 1.00 0.00 N ATOM 1482 CZ ARG A 91 -6.109 0.656 6.116 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -4.929 0.646 6.722 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -7.107 1.370 6.619 1.00 0.00 N ATOM 0 H ARG A 91 -6.268 1.202 0.123 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.542 -1.512 0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.995 0.260 1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.686 0.348 2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.618 -1.997 3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.943 -2.129 2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.990 -1.691 5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.354 -0.270 4.245 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.210 -0.024 4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.162 0.095 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.789 1.189 7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.015 1.376 6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.967 1.913 7.471 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.736 -0.842 0.810 1.00 0.00 N ATOM 1499 CA LEU A 92 -10.065 -1.447 0.884 1.00 0.00 C ATOM 1500 C LEU A 92 -10.374 -2.230 -0.391 1.00 0.00 C ATOM 1501 O LEU A 92 -10.975 -3.306 -0.336 1.00 0.00 O ATOM 1502 CB LEU A 92 -11.134 -0.376 1.124 1.00 0.00 C ATOM 1503 CG LEU A 92 -11.111 0.271 2.512 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -12.053 1.463 2.561 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -11.481 -0.747 3.583 1.00 0.00 C ATOM 0 H LEU A 92 -8.734 0.178 0.838 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.075 -2.140 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -11.016 0.406 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.115 -0.823 0.966 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.099 0.625 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.023 1.910 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.744 2.202 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -13.069 1.133 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.459 -0.269 4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.482 -1.132 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.767 -1.570 3.565 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.964 -1.686 -1.536 1.00 0.00 N ATOM 1518 CA LEU A 93 -10.182 -2.355 -2.815 1.00 0.00 C ATOM 1519 C LEU A 93 -9.382 -3.654 -2.884 1.00 0.00 C ATOM 1520 O LEU A 93 -9.865 -4.670 -3.387 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.773 -1.452 -3.980 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.671 -0.243 -4.229 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -10.040 0.669 -5.268 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -12.058 -0.686 -4.680 1.00 0.00 C ATOM 0 H LEU A 93 -9.482 -0.789 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.246 -2.579 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.758 -1.097 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.744 -2.053 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.778 0.309 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.688 1.529 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.069 1.012 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.910 0.122 -6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.682 0.191 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.975 -1.259 -5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.511 -1.307 -3.907 1.00 0.00 H new ATOM 1536 N ALA A 94 -8.149 -3.604 -2.375 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.258 -4.764 -2.374 1.00 0.00 C ATOM 1538 C ALA A 94 -7.813 -5.898 -1.529 1.00 0.00 C ATOM 1539 O ALA A 94 -7.672 -7.067 -1.884 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.867 -4.378 -1.907 1.00 0.00 C ATOM 0 H ALA A 94 -7.744 -2.767 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.189 -5.122 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.223 -5.258 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.456 -3.621 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.921 -3.977 -0.895 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.434 -5.552 -0.405 1.00 0.00 N ATOM 1547 CA GLU A 95 -9.021 -6.547 0.480 1.00 0.00 C ATOM 1548 C GLU A 95 -10.111 -7.319 -0.253 1.00 0.00 C ATOM 1549 O GLU A 95 -10.272 -8.525 -0.061 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.597 -5.870 1.726 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.536 -5.322 2.669 1.00 0.00 C ATOM 1552 CD GLU A 95 -9.120 -4.486 3.789 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -10.297 -4.080 3.678 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -8.401 -4.237 4.779 1.00 0.00 O ATOM 0 H GLU A 95 -8.543 -4.589 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.244 -7.246 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.251 -5.055 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.215 -6.587 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.973 -6.152 3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.829 -4.717 2.101 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.860 -6.604 -1.088 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.927 -7.205 -1.881 1.00 0.00 C ATOM 1563 C GLU A 96 -11.353 -8.251 -2.837 1.00 0.00 C ATOM 1564 O GLU A 96 -11.927 -9.324 -3.021 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.653 -6.117 -2.678 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.498 -5.190 -1.815 1.00 0.00 C ATOM 1567 CD GLU A 96 -14.041 -4.003 -2.587 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -13.525 -3.723 -3.691 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.984 -3.354 -2.087 1.00 0.00 O ATOM 0 H GLU A 96 -10.746 -5.601 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.633 -7.694 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.917 -5.524 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.293 -6.590 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.329 -5.753 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.897 -4.831 -0.980 1.00 0.00 H new ATOM 1576 N ILE A 97 -10.212 -7.917 -3.437 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.535 -8.809 -4.374 1.00 0.00 C ATOM 1578 C ILE A 97 -8.933 -10.007 -3.641 1.00 0.00 C ATOM 1579 O ILE A 97 -9.040 -11.144 -4.096 1.00 0.00 O ATOM 1580 CB ILE A 97 -8.433 -8.050 -5.144 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -9.072 -6.899 -5.908 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.686 -8.978 -6.100 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -8.073 -5.951 -6.502 1.00 0.00 C ATOM 0 H ILE A 97 -9.735 -7.028 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.273 -9.174 -5.088 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.704 -7.662 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.696 -7.304 -6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.730 -6.348 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.917 -8.414 -6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.221 -9.785 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.387 -9.398 -6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.597 -5.155 -7.032 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.465 -5.519 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.430 -6.489 -7.199 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.304 -9.731 -2.497 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.691 -10.778 -1.692 1.00 0.00 C ATOM 1597 C GLY A 98 -8.695 -11.796 -1.184 1.00 0.00 C ATOM 1598 O GLY A 98 -8.378 -12.978 -1.058 1.00 0.00 O ATOM 0 H GLY A 98 -8.208 -8.792 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.932 -11.288 -2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.180 -10.324 -0.843 1.00 0.00 H new ATOM 1602 N ASP A 99 -9.901 -11.325 -0.870 1.00 0.00 N ATOM 1603 CA ASP A 99 -10.971 -12.189 -0.372 1.00 0.00 C ATOM 1604 C ASP A 99 -11.344 -13.263 -1.393 1.00 0.00 C ATOM 1605 O ASP A 99 -11.609 -14.409 -1.031 1.00 0.00 O ATOM 1606 CB ASP A 99 -12.208 -11.355 -0.023 1.00 0.00 C ATOM 1607 CG ASP A 99 -13.303 -12.182 0.622 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -13.088 -12.676 1.747 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.377 -12.329 0.002 1.00 0.00 O ATOM 0 H ASP A 99 -10.163 -10.343 -0.952 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.603 -12.686 0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.920 -10.549 0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.595 -10.889 -0.929 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.373 -12.885 -2.667 1.00 0.00 N ATOM 1615 CA TYR A 100 -11.717 -13.817 -3.728 1.00 0.00 C ATOM 1616 C TYR A 100 -10.488 -14.606 -4.167 1.00 0.00 C ATOM 1617 O TYR A 100 -9.514 -14.044 -4.666 1.00 0.00 O ATOM 1618 CB TYR A 100 -12.315 -13.066 -4.923 1.00 0.00 C ATOM 1619 CG TYR A 100 -12.668 -13.960 -6.094 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -13.810 -14.752 -6.071 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -11.857 -14.012 -7.223 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -14.133 -15.570 -7.136 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -12.175 -14.828 -8.292 1.00 0.00 C ATOM 1624 CZ TYR A 100 -13.314 -15.604 -8.244 1.00 0.00 C ATOM 1625 OH TYR A 100 -13.630 -16.417 -9.308 1.00 0.00 O ATOM 0 H TYR A 100 -11.162 -11.940 -2.987 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.460 -14.516 -3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.212 -12.539 -4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -11.605 -12.310 -5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.456 -14.727 -5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -10.965 -13.405 -7.265 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -15.023 -16.180 -7.101 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -11.534 -14.858 -9.161 1.00 0.00 H new ATOM 0 HH TYR A 100 -12.949 -16.321 -10.007 1.00 0.00 H new ATOM 1635 N LYS A 101 -10.547 -15.914 -3.983 1.00 0.00 N ATOM 1636 CA LYS A 101 -9.444 -16.789 -4.361 1.00 0.00 C ATOM 1637 C LYS A 101 -9.837 -17.662 -5.547 1.00 0.00 C ATOM 1638 O LYS A 101 -10.954 -18.175 -5.610 1.00 0.00 O ATOM 1639 CB LYS A 101 -9.028 -17.671 -3.180 1.00 0.00 C ATOM 1640 CG LYS A 101 -8.610 -16.892 -1.940 1.00 0.00 C ATOM 1641 CD LYS A 101 -7.356 -16.060 -2.184 1.00 0.00 C ATOM 1642 CE LYS A 101 -6.128 -16.937 -2.377 1.00 0.00 C ATOM 1643 NZ LYS A 101 -4.884 -16.128 -2.513 1.00 0.00 N ATOM 0 H LYS A 101 -11.347 -16.396 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.598 -16.165 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.858 -18.328 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.201 -18.310 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.425 -16.237 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.430 -17.586 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.499 -15.435 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.195 -15.389 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.029 -17.615 -1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.259 -17.554 -3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.070 -16.762 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.967 -15.499 -3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.745 -15.558 -1.654 1.00 0.00 H new ATOM 1657 N ASP A 102 -8.912 -17.828 -6.486 1.00 0.00 N ATOM 1658 CA ASP A 102 -9.160 -18.641 -7.671 1.00 0.00 C ATOM 1659 C ASP A 102 -7.933 -19.481 -8.010 1.00 0.00 C ATOM 1660 O ASP A 102 -6.915 -18.950 -8.452 1.00 0.00 O ATOM 1661 CB ASP A 102 -9.530 -17.752 -8.863 1.00 0.00 C ATOM 1662 CG ASP A 102 -10.035 -18.552 -10.049 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -10.505 -19.691 -9.843 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -9.962 -18.037 -11.184 1.00 0.00 O ATOM 0 H ASP A 102 -7.982 -17.410 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.994 -19.309 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.296 -17.039 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.658 -17.172 -9.165 1.00 0.00 H new ATOM 1669 N ASP A 103 -8.035 -20.788 -7.795 1.00 0.00 N ATOM 1670 CA ASP A 103 -6.934 -21.703 -8.077 1.00 0.00 C ATOM 1671 C ASP A 103 -7.467 -23.115 -8.298 1.00 0.00 C ATOM 1672 O ASP A 103 -8.582 -23.432 -7.887 1.00 0.00 O ATOM 1673 CB ASP A 103 -5.923 -21.694 -6.923 1.00 0.00 C ATOM 1674 CG ASP A 103 -4.512 -22.021 -7.378 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -4.340 -22.413 -8.553 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -3.579 -21.881 -6.561 1.00 0.00 O ATOM 0 H ASP A 103 -8.872 -21.239 -7.425 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.430 -21.371 -8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.929 -20.713 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.233 -22.416 -6.168 1.00 0.00 H new ATOM 1681 N ASP A 104 -6.665 -23.956 -8.951 1.00 0.00 N ATOM 1682 CA ASP A 104 -7.054 -25.340 -9.230 1.00 0.00 C ATOM 1683 C ASP A 104 -7.159 -26.158 -7.943 1.00 0.00 C ATOM 1684 O ASP A 104 -7.943 -27.102 -7.861 1.00 0.00 O ATOM 1685 CB ASP A 104 -6.048 -25.995 -10.181 1.00 0.00 C ATOM 1686 CG ASP A 104 -6.520 -27.345 -10.683 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -7.552 -27.390 -11.383 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -5.853 -28.356 -10.377 1.00 0.00 O ATOM 0 H ASP A 104 -5.740 -23.703 -9.298 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.036 -25.320 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -5.873 -25.335 -11.031 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -5.093 -26.115 -9.669 1.00 0.00 H new ATOM 1693 N ASP A 105 -6.363 -25.787 -6.948 1.00 0.00 N ATOM 1694 CA ASP A 105 -6.360 -26.480 -5.664 1.00 0.00 C ATOM 1695 C ASP A 105 -5.888 -25.538 -4.562 1.00 0.00 C ATOM 1696 O ASP A 105 -5.279 -24.506 -4.841 1.00 0.00 O ATOM 1697 CB ASP A 105 -5.454 -27.716 -5.724 1.00 0.00 C ATOM 1698 CG ASP A 105 -5.867 -28.793 -4.739 1.00 0.00 C ATOM 1699 OD1 ASP A 105 -6.842 -28.573 -3.988 1.00 0.00 O ATOM 1700 OD2 ASP A 105 -5.214 -29.857 -4.717 1.00 0.00 O ATOM 0 H ASP A 105 -5.708 -25.007 -7.005 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.377 -26.805 -5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -5.473 -28.126 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.426 -27.418 -5.520 1.00 0.00 H new ATOM 1705 N LYS A 106 -6.174 -25.893 -3.316 1.00 0.00 N ATOM 1706 CA LYS A 106 -5.774 -25.074 -2.177 1.00 0.00 C ATOM 1707 C LYS A 106 -4.356 -25.420 -1.731 1.00 0.00 C ATOM 1708 O LYS A 106 -3.893 -26.537 -2.048 1.00 0.00 O ATOM 1709 CB LYS A 106 -6.749 -25.266 -1.014 1.00 0.00 C ATOM 1710 CG LYS A 106 -8.027 -24.447 -1.144 1.00 0.00 C ATOM 1711 CD LYS A 106 -9.033 -24.796 -0.058 1.00 0.00 C ATOM 1712 CE LYS A 106 -8.548 -24.363 1.317 1.00 0.00 C ATOM 1713 NZ LYS A 106 -9.559 -24.639 2.376 1.00 0.00 N ATOM 1714 OXT LYS A 106 -3.721 -24.573 -1.068 1.00 0.00 O ATOM 0 H LYS A 106 -6.681 -26.742 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 106 -5.794 -24.029 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.010 -26.322 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -6.249 -24.997 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.786 -23.385 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.473 -24.622 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.986 -24.314 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.212 -25.871 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.621 -24.884 1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.320 -23.297 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.190 -24.329 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.435 -24.121 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.758 -25.659 2.408 1.00 0.00 H new TER 1728 LYS A 106