USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 1 MET N :NH3+ -122:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 0.47 K(o=1.7,f=-8.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00118 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 173:sc= -1.31 (180deg=-1.57) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 19 ASN : amide:sc= -0.0215 K(o=-0.022,f=-1.5) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.12 K(o=1.1,f=-0.21) USER MOD Single : A 37 ASN : amide:sc= -1.84 K(o=-1.8,f=0.029) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 63:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.0154 (180deg=-0.201) USER MOD Single : A 53 SER OG : rot 94:sc= 1.22 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= 1.16 (180deg=0.983) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 142:sc= 0.311 USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= 0.0379 (180deg=-0.116) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.883) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.749 15.053 10.662 1.00 10.00 N ATOM 2 CA MET A 1 4.431 15.752 9.404 1.00 10.00 C ATOM 3 C MET A 1 4.243 14.690 8.328 1.00 10.00 C ATOM 4 O MET A 1 5.205 14.307 7.669 1.00 10.00 O ATOM 5 CB MET A 1 5.529 16.760 9.021 1.00 10.00 C ATOM 6 CG MET A 1 5.287 18.151 9.622 1.00 10.00 C ATOM 7 SD MET A 1 6.582 19.356 9.234 1.00 10.00 S ATOM 8 CE MET A 1 5.818 20.871 9.855 1.00 10.00 C ATOM 0 H1 MET A 1 4.046 15.304 11.386 1.00 10.00 H new ATOM 0 H2 MET A 1 4.730 14.025 10.503 1.00 10.00 H new ATOM 0 H3 MET A 1 5.696 15.336 10.986 1.00 10.00 H new ATOM 0 HA MET A 1 3.518 16.337 9.519 1.00 10.00 H new ATOM 0 HB2 MET A 1 6.495 16.385 9.359 1.00 10.00 H new ATOM 0 HB3 MET A 1 5.580 16.841 7.935 1.00 10.00 H new ATOM 0 HG2 MET A 1 4.331 18.531 9.260 1.00 10.00 H new ATOM 0 HG3 MET A 1 5.204 18.058 10.705 1.00 10.00 H new ATOM 0 HE1 MET A 1 6.492 21.712 9.691 1.00 10.00 H new ATOM 0 HE2 MET A 1 4.881 21.049 9.328 1.00 10.00 H new ATOM 0 HE3 MET A 1 5.620 20.768 10.922 1.00 10.00 H new ATOM 20 N THR A 2 3.031 14.146 8.224 1.00 10.00 N ATOM 21 CA THR A 2 2.759 13.043 7.326 1.00 10.00 C ATOM 22 C THR A 2 2.421 13.582 5.939 1.00 10.00 C ATOM 23 O THR A 2 1.802 14.643 5.839 1.00 10.00 O ATOM 24 CB THR A 2 1.621 12.208 7.913 1.00 10.00 C ATOM 25 OG1 THR A 2 0.463 13.007 8.063 1.00 10.00 O ATOM 26 CG2 THR A 2 1.983 11.684 9.305 1.00 10.00 C ATOM 0 H THR A 2 2.221 14.460 8.759 1.00 10.00 H new ATOM 0 HA THR A 2 3.635 12.403 7.219 1.00 10.00 H new ATOM 0 HB THR A 2 1.445 11.377 7.230 1.00 10.00 H new ATOM 0 HG1 THR A 2 -0.262 12.465 8.438 1.00 10.00 H new ATOM 0 HG21 THR A 2 1.155 11.094 9.698 1.00 10.00 H new ATOM 0 HG22 THR A 2 2.874 11.060 9.238 1.00 10.00 H new ATOM 0 HG23 THR A 2 2.177 12.525 9.971 1.00 10.00 H new ATOM 34 N GLU A 3 2.797 12.856 4.886 1.00 10.00 N ATOM 35 CA GLU A 3 2.440 13.167 3.524 1.00 10.00 C ATOM 36 C GLU A 3 1.314 12.220 3.117 1.00 10.00 C ATOM 37 O GLU A 3 0.783 11.474 3.940 1.00 10.00 O ATOM 38 CB GLU A 3 3.694 13.057 2.643 1.00 10.00 C ATOM 39 CG GLU A 3 4.231 11.623 2.491 1.00 10.00 C ATOM 40 CD GLU A 3 5.600 11.586 1.818 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.210 12.669 1.690 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.030 10.466 1.467 1.00 10.00 O ATOM 0 H GLU A 3 3.372 12.018 4.971 1.00 10.00 H new ATOM 0 HA GLU A 3 2.074 14.187 3.407 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.466 13.455 1.654 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.478 13.684 3.066 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.299 11.157 3.474 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.525 11.033 1.906 1.00 10.00 H new ATOM 49 N LYS A 4 0.959 12.284 1.843 1.00 10.00 N ATOM 50 CA LYS A 4 0.002 11.444 1.158 1.00 10.00 C ATOM 51 C LYS A 4 0.695 10.990 -0.124 1.00 10.00 C ATOM 52 O LYS A 4 1.195 11.838 -0.859 1.00 10.00 O ATOM 53 CB LYS A 4 -1.261 12.247 0.845 1.00 10.00 C ATOM 54 CG LYS A 4 -1.702 13.137 2.014 1.00 10.00 C ATOM 55 CD LYS A 4 -3.181 13.506 1.865 1.00 10.00 C ATOM 56 CE LYS A 4 -3.485 14.807 2.616 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.929 15.108 2.598 1.00 10.00 N ATOM 0 H LYS A 4 1.367 12.979 1.218 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.304 10.589 1.761 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.083 12.869 -0.032 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -2.069 11.561 0.591 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -1.542 12.616 2.958 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.094 14.042 2.042 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -3.429 13.621 0.810 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.804 12.700 2.253 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.141 14.724 3.647 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -2.934 15.630 2.161 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -5.105 15.994 3.114 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -5.250 15.210 1.614 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -5.451 14.332 3.054 1.00 10.00 H new ATOM 71 N ALA A 5 0.776 9.682 -0.354 1.00 10.00 N ATOM 72 CA ALA A 5 1.528 9.079 -1.442 1.00 10.00 C ATOM 73 C ALA A 5 0.629 8.066 -2.136 1.00 10.00 C ATOM 74 O ALA A 5 -0.192 7.448 -1.456 1.00 10.00 O ATOM 75 CB ALA A 5 2.758 8.402 -0.848 1.00 10.00 C ATOM 0 H ALA A 5 0.304 8.994 0.232 1.00 10.00 H new ATOM 0 HA ALA A 5 1.850 9.822 -2.171 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.340 7.941 -1.646 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.370 9.144 -0.335 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.445 7.636 -0.138 1.00 10.00 H new ATOM 81 N GLU A 6 0.746 7.895 -3.459 1.00 10.00 N ATOM 82 CA GLU A 6 -0.254 7.172 -4.216 1.00 10.00 C ATOM 83 C GLU A 6 0.484 6.062 -4.923 1.00 10.00 C ATOM 84 O GLU A 6 1.493 6.326 -5.579 1.00 10.00 O ATOM 85 CB GLU A 6 -0.916 8.116 -5.224 1.00 10.00 C ATOM 86 CG GLU A 6 -2.450 8.102 -5.180 1.00 10.00 C ATOM 87 CD GLU A 6 -2.997 9.457 -4.754 1.00 10.00 C ATOM 88 OE1 GLU A 6 -2.473 10.008 -3.755 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.899 9.935 -5.469 1.00 10.00 O ATOM 0 H GLU A 6 1.524 8.250 -4.015 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.043 6.771 -3.579 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -0.567 9.132 -5.038 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.589 7.845 -6.228 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.843 7.840 -6.162 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.790 7.334 -4.485 1.00 10.00 H new ATOM 96 N PHE A 7 0.012 4.828 -4.771 1.00 10.00 N ATOM 97 CA PHE A 7 0.636 3.680 -5.381 1.00 10.00 C ATOM 98 C PHE A 7 -0.381 2.908 -6.200 1.00 10.00 C ATOM 99 O PHE A 7 -1.536 2.769 -5.799 1.00 10.00 O ATOM 100 CB PHE A 7 1.286 2.798 -4.324 1.00 10.00 C ATOM 101 CG PHE A 7 2.066 3.516 -3.239 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.986 4.521 -3.584 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.924 3.148 -1.891 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.625 5.271 -2.588 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.643 3.837 -0.901 1.00 10.00 C ATOM 106 CZ PHE A 7 3.444 4.938 -1.238 1.00 10.00 C ATOM 0 H PHE A 7 -0.816 4.606 -4.218 1.00 10.00 H new ATOM 0 HA PHE A 7 1.423 4.020 -6.053 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.507 2.202 -3.848 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.958 2.102 -4.825 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.202 4.716 -4.624 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.264 2.338 -1.617 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.256 6.104 -2.860 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.579 3.517 0.128 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.917 5.524 -0.464 1.00 10.00 H new ATOM 116 N ASP A 8 0.079 2.414 -7.343 1.00 10.00 N ATOM 117 CA ASP A 8 -0.665 1.696 -8.350 1.00 10.00 C ATOM 118 C ASP A 8 -0.436 0.241 -8.021 1.00 10.00 C ATOM 119 O ASP A 8 0.718 -0.124 -7.784 1.00 10.00 O ATOM 120 CB ASP A 8 -0.032 1.996 -9.709 1.00 10.00 C ATOM 121 CG ASP A 8 -0.980 1.717 -10.856 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.770 2.640 -11.157 1.00 10.00 O ATOM 123 OD2 ASP A 8 -0.868 0.623 -11.437 1.00 10.00 O ATOM 0 H ASP A 8 1.060 2.518 -7.602 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.722 1.960 -8.376 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.277 3.041 -9.741 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.868 1.394 -9.829 1.00 10.00 H new ATOM 128 N ILE A 9 -1.494 -0.558 -7.936 1.00 10.00 N ATOM 129 CA ILE A 9 -1.368 -1.971 -7.631 1.00 10.00 C ATOM 130 C ILE A 9 -1.924 -2.768 -8.804 1.00 10.00 C ATOM 131 O ILE A 9 -2.962 -2.390 -9.335 1.00 10.00 O ATOM 132 CB ILE A 9 -2.060 -2.290 -6.308 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.607 -1.223 -5.294 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.614 -3.700 -5.878 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.108 -1.548 -3.908 1.00 10.00 C ATOM 0 H ILE A 9 -2.454 -0.244 -8.076 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.323 -2.250 -7.500 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.147 -2.276 -6.383 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.519 -1.162 -5.286 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.979 -0.245 -5.599 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.091 -3.960 -4.933 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.903 -4.422 -6.642 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.531 -3.717 -5.754 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -1.774 -0.779 -3.211 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.197 -1.584 -3.914 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -1.715 -2.516 -3.596 1.00 10.00 H new ATOM 147 N GLU A 10 -1.257 -3.863 -9.187 1.00 10.00 N ATOM 148 CA GLU A 10 -1.837 -4.835 -10.104 1.00 10.00 C ATOM 149 C GLU A 10 -1.966 -6.188 -9.422 1.00 10.00 C ATOM 150 O GLU A 10 -0.985 -6.733 -8.907 1.00 10.00 O ATOM 151 CB GLU A 10 -1.000 -5.032 -11.367 1.00 10.00 C ATOM 152 CG GLU A 10 -1.309 -4.025 -12.480 1.00 10.00 C ATOM 153 CD GLU A 10 -0.812 -4.554 -13.820 1.00 10.00 C ATOM 154 OE1 GLU A 10 0.408 -4.429 -14.063 1.00 10.00 O ATOM 155 OE2 GLU A 10 -1.649 -5.119 -14.555 1.00 10.00 O ATOM 0 H GLU A 10 -0.314 -4.093 -8.872 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.811 -4.437 -10.388 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.056 -4.958 -11.107 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -1.165 -6.040 -11.747 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -2.383 -3.843 -12.528 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.833 -3.070 -12.259 1.00 10.00 H new ATOM 162 N GLY A 11 -3.171 -6.741 -9.530 1.00 10.00 N ATOM 163 CA GLY A 11 -3.501 -8.139 -9.308 1.00 10.00 C ATOM 164 C GLY A 11 -4.619 -8.324 -8.283 1.00 10.00 C ATOM 165 O GLY A 11 -5.094 -9.449 -8.104 1.00 10.00 O ATOM 0 H GLY A 11 -3.989 -6.190 -9.790 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.801 -8.592 -10.253 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.611 -8.669 -8.969 1.00 10.00 H new ATOM 169 N MET A 12 -5.044 -7.249 -7.608 1.00 10.00 N ATOM 170 CA MET A 12 -6.043 -7.337 -6.555 1.00 10.00 C ATOM 171 C MET A 12 -7.422 -7.573 -7.165 1.00 10.00 C ATOM 172 O MET A 12 -8.249 -6.679 -7.309 1.00 10.00 O ATOM 173 CB MET A 12 -5.977 -6.115 -5.638 1.00 10.00 C ATOM 174 CG MET A 12 -6.006 -4.788 -6.402 1.00 10.00 C ATOM 175 SD MET A 12 -6.425 -3.347 -5.399 1.00 10.00 S ATOM 176 CE MET A 12 -5.133 -3.558 -4.170 1.00 10.00 C ATOM 0 H MET A 12 -4.703 -6.303 -7.780 1.00 10.00 H new ATOM 0 HA MET A 12 -5.832 -8.195 -5.917 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.815 -6.145 -4.942 1.00 10.00 H new ATOM 0 HB3 MET A 12 -5.066 -6.164 -5.042 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.029 -4.625 -6.857 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.727 -4.869 -7.216 1.00 10.00 H new ATOM 0 HE1 MET A 12 -5.121 -2.696 -3.503 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.325 -4.462 -3.591 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.167 -3.645 -4.668 1.00 10.00 H new ATOM 186 N THR A 13 -7.671 -8.826 -7.514 1.00 10.00 N ATOM 187 CA THR A 13 -8.868 -9.278 -8.183 1.00 10.00 C ATOM 188 C THR A 13 -9.971 -9.579 -7.164 1.00 10.00 C ATOM 189 O THR A 13 -11.092 -9.892 -7.562 1.00 10.00 O ATOM 190 CB THR A 13 -8.487 -10.492 -9.049 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.370 -11.174 -8.495 1.00 10.00 O ATOM 192 CG2 THR A 13 -8.104 -10.030 -10.459 1.00 10.00 C ATOM 0 H THR A 13 -7.013 -9.583 -7.328 1.00 10.00 H new ATOM 0 HA THR A 13 -9.278 -8.505 -8.834 1.00 10.00 H new ATOM 0 HB THR A 13 -9.348 -11.159 -9.084 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.144 -11.943 -9.059 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.836 -10.895 -11.065 1.00 10.00 H new ATOM 0 HG22 THR A 13 -8.949 -9.515 -10.915 1.00 10.00 H new ATOM 0 HG23 THR A 13 -7.254 -9.350 -10.401 1.00 10.00 H new ATOM 200 N CYS A 14 -9.676 -9.459 -5.864 1.00 10.00 N ATOM 201 CA CYS A 14 -10.620 -9.665 -4.787 1.00 10.00 C ATOM 202 C CYS A 14 -10.415 -8.598 -3.711 1.00 10.00 C ATOM 203 O CYS A 14 -9.315 -8.075 -3.528 1.00 10.00 O ATOM 204 CB CYS A 14 -10.435 -11.084 -4.238 1.00 10.00 C ATOM 205 SG CYS A 14 -8.733 -11.499 -3.765 1.00 10.00 S ATOM 0 H CYS A 14 -8.744 -9.208 -5.535 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.645 -9.568 -5.146 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.080 -11.209 -3.368 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.772 -11.797 -4.990 1.00 10.00 H new ATOM 210 N ALA A 15 -11.477 -8.269 -2.975 1.00 10.00 N ATOM 211 CA ALA A 15 -11.381 -7.316 -1.878 1.00 10.00 C ATOM 212 C ALA A 15 -10.461 -7.846 -0.772 1.00 10.00 C ATOM 213 O ALA A 15 -9.837 -7.070 -0.056 1.00 10.00 O ATOM 214 CB ALA A 15 -12.776 -6.997 -1.337 1.00 10.00 C ATOM 0 H ALA A 15 -12.412 -8.650 -3.121 1.00 10.00 H new ATOM 0 HA ALA A 15 -10.940 -6.392 -2.253 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.694 -6.284 -0.517 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.385 -6.567 -2.132 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.244 -7.913 -0.976 1.00 10.00 H new ATOM 220 N ALA A 16 -10.363 -9.173 -0.626 1.00 10.00 N ATOM 221 CA ALA A 16 -9.459 -9.796 0.332 1.00 10.00 C ATOM 222 C ALA A 16 -8.019 -9.344 0.079 1.00 10.00 C ATOM 223 O ALA A 16 -7.331 -8.915 1.006 1.00 10.00 O ATOM 224 CB ALA A 16 -9.587 -11.319 0.246 1.00 10.00 C ATOM 0 H ALA A 16 -10.910 -9.839 -1.171 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.731 -9.484 1.340 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -8.910 -11.782 0.964 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.612 -11.611 0.474 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.330 -11.649 -0.761 1.00 10.00 H new ATOM 230 N CYS A 17 -7.579 -9.432 -1.179 1.00 10.00 N ATOM 231 CA CYS A 17 -6.279 -8.972 -1.635 1.00 10.00 C ATOM 232 C CYS A 17 -6.068 -7.525 -1.212 1.00 10.00 C ATOM 233 O CYS A 17 -5.095 -7.213 -0.528 1.00 10.00 O ATOM 234 CB CYS A 17 -6.215 -9.137 -3.156 1.00 10.00 C ATOM 235 SG CYS A 17 -6.256 -10.881 -3.646 1.00 10.00 S ATOM 0 H CYS A 17 -8.141 -9.839 -1.926 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.479 -9.561 -1.186 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.052 -8.611 -3.614 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.303 -8.675 -3.534 1.00 10.00 H new ATOM 240 N ALA A 18 -6.996 -6.652 -1.594 1.00 10.00 N ATOM 241 CA ALA A 18 -6.945 -5.250 -1.216 1.00 10.00 C ATOM 242 C ALA A 18 -6.790 -5.084 0.298 1.00 10.00 C ATOM 243 O ALA A 18 -5.819 -4.493 0.761 1.00 10.00 O ATOM 244 CB ALA A 18 -8.169 -4.542 -1.789 1.00 10.00 C ATOM 0 H ALA A 18 -7.800 -6.899 -2.172 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.059 -4.778 -1.641 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.143 -3.488 -1.512 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.166 -4.632 -2.875 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.074 -4.999 -1.390 1.00 10.00 H new ATOM 250 N ASN A 19 -7.696 -5.648 1.090 1.00 10.00 N ATOM 251 CA ASN A 19 -7.645 -5.532 2.545 1.00 10.00 C ATOM 252 C ASN A 19 -6.320 -6.069 3.109 1.00 10.00 C ATOM 253 O ASN A 19 -5.827 -5.578 4.128 1.00 10.00 O ATOM 254 CB ASN A 19 -8.845 -6.248 3.177 1.00 10.00 C ATOM 255 CG ASN A 19 -10.178 -5.552 2.896 1.00 10.00 C ATOM 256 OD1 ASN A 19 -10.305 -4.743 1.983 1.00 10.00 O ATOM 257 ND2 ASN A 19 -11.201 -5.855 3.691 1.00 10.00 N ATOM 0 H ASN A 19 -8.484 -6.196 0.744 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.698 -4.474 2.802 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -8.890 -7.270 2.801 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.696 -6.311 4.255 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -12.108 -5.412 3.546 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.078 -6.530 4.446 1.00 10.00 H new ATOM 264 N ARG A 20 -5.722 -7.073 2.459 1.00 10.00 N ATOM 265 CA ARG A 20 -4.437 -7.608 2.864 1.00 10.00 C ATOM 266 C ARG A 20 -3.346 -6.533 2.786 1.00 10.00 C ATOM 267 O ARG A 20 -2.448 -6.521 3.635 1.00 10.00 O ATOM 268 CB ARG A 20 -4.095 -8.854 2.031 1.00 10.00 C ATOM 269 CG ARG A 20 -4.058 -10.130 2.878 1.00 10.00 C ATOM 270 CD ARG A 20 -5.486 -10.600 3.193 1.00 10.00 C ATOM 271 NE ARG A 20 -5.515 -11.632 4.244 1.00 10.00 N ATOM 272 CZ ARG A 20 -5.093 -12.901 4.112 1.00 10.00 C ATOM 273 NH1 ARG A 20 -4.611 -13.329 2.941 1.00 10.00 N ATOM 274 NH2 ARG A 20 -5.151 -13.734 5.158 1.00 10.00 N ATOM 0 H ARG A 20 -6.122 -7.531 1.640 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.494 -7.918 3.907 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.832 -8.970 1.236 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.127 -8.712 1.550 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.519 -10.913 2.345 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.516 -9.944 3.805 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -6.086 -9.746 3.508 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -5.945 -10.995 2.286 1.00 10.00 H new ATOM 0 HE ARG A 20 -5.889 -11.359 5.153 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -4.563 -12.692 2.146 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -4.291 -14.293 2.843 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.515 -13.405 6.052 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -4.831 -14.698 5.061 1.00 10.00 H new ATOM 288 N ILE A 21 -3.436 -5.617 1.809 1.00 10.00 N ATOM 289 CA ILE A 21 -2.542 -4.461 1.746 1.00 10.00 C ATOM 290 C ILE A 21 -2.612 -3.745 3.087 1.00 10.00 C ATOM 291 O ILE A 21 -1.601 -3.607 3.765 1.00 10.00 O ATOM 292 CB ILE A 21 -2.928 -3.469 0.627 1.00 10.00 C ATOM 293 CG1 ILE A 21 -2.967 -4.084 -0.774 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.045 -2.215 0.638 1.00 10.00 C ATOM 295 CD1 ILE A 21 -1.582 -4.313 -1.377 1.00 10.00 C ATOM 0 H ILE A 21 -4.121 -5.659 1.054 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.536 -4.819 1.525 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.952 -3.179 0.862 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.497 -5.035 -0.730 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.538 -3.431 -1.433 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.353 -1.546 -0.166 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.150 -1.704 1.595 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.004 -2.502 0.492 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -1.685 -4.751 -2.370 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.056 -3.361 -1.453 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.015 -4.991 -0.739 1.00 10.00 H new ATOM 307 N GLU A 22 -3.811 -3.302 3.468 1.00 10.00 N ATOM 308 CA GLU A 22 -4.011 -2.467 4.639 1.00 10.00 C ATOM 309 C GLU A 22 -3.487 -3.171 5.880 1.00 10.00 C ATOM 310 O GLU A 22 -2.809 -2.560 6.702 1.00 10.00 O ATOM 311 CB GLU A 22 -5.489 -2.093 4.795 1.00 10.00 C ATOM 312 CG GLU A 22 -6.027 -1.520 3.483 1.00 10.00 C ATOM 313 CD GLU A 22 -7.314 -0.714 3.641 1.00 10.00 C ATOM 314 OE1 GLU A 22 -7.768 -0.569 4.795 1.00 10.00 O ATOM 315 OE2 GLU A 22 -7.816 -0.247 2.595 1.00 10.00 O ATOM 0 H GLU A 22 -4.672 -3.517 2.965 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.450 -1.542 4.509 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.066 -2.972 5.081 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.605 -1.362 5.595 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.264 -0.883 3.036 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.206 -2.339 2.787 1.00 10.00 H new ATOM 322 N LYS A 23 -3.779 -4.466 6.002 1.00 10.00 N ATOM 323 CA LYS A 23 -3.268 -5.286 7.076 1.00 10.00 C ATOM 324 C LYS A 23 -1.736 -5.237 7.139 1.00 10.00 C ATOM 325 O LYS A 23 -1.177 -4.986 8.205 1.00 10.00 O ATOM 326 CB LYS A 23 -3.789 -6.714 6.883 1.00 10.00 C ATOM 327 CG LYS A 23 -5.088 -6.988 7.661 1.00 10.00 C ATOM 328 CD LYS A 23 -5.106 -8.379 8.319 1.00 10.00 C ATOM 329 CE LYS A 23 -4.082 -8.483 9.466 1.00 10.00 C ATOM 330 NZ LYS A 23 -4.326 -9.654 10.336 1.00 10.00 N ATOM 0 H LYS A 23 -4.381 -4.969 5.350 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.620 -4.902 8.033 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.963 -6.892 5.822 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.024 -7.421 7.203 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.213 -6.226 8.430 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.937 -6.900 6.984 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -6.105 -8.586 8.703 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.889 -9.139 7.568 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.078 -8.548 9.048 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.119 -7.574 10.066 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.612 -9.680 11.092 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.274 -9.582 10.758 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.264 -10.525 9.771 1.00 10.00 H new ATOM 344 N ARG A 24 -1.043 -5.491 6.023 1.00 10.00 N ATOM 345 CA ARG A 24 0.414 -5.393 6.024 1.00 10.00 C ATOM 346 C ARG A 24 0.865 -3.975 6.358 1.00 10.00 C ATOM 347 O ARG A 24 1.709 -3.807 7.231 1.00 10.00 O ATOM 348 CB ARG A 24 1.017 -5.862 4.694 1.00 10.00 C ATOM 349 CG ARG A 24 1.423 -7.339 4.773 1.00 10.00 C ATOM 350 CD ARG A 24 2.812 -7.509 5.406 1.00 10.00 C ATOM 351 NE ARG A 24 3.069 -8.902 5.805 1.00 10.00 N ATOM 352 CZ ARG A 24 3.237 -9.951 4.979 1.00 10.00 C ATOM 353 NH1 ARG A 24 3.255 -9.779 3.652 1.00 10.00 N ATOM 354 NH2 ARG A 24 3.387 -11.175 5.500 1.00 10.00 N ATOM 0 H ARG A 24 -1.458 -5.759 5.131 1.00 10.00 H new ATOM 0 HA ARG A 24 0.784 -6.061 6.802 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.293 -5.721 3.891 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.887 -5.253 4.449 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.686 -7.889 5.358 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.423 -7.771 3.772 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.575 -7.188 4.697 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.895 -6.861 6.278 1.00 10.00 H new ATOM 0 HE ARG A 24 3.125 -9.091 6.806 1.00 10.00 H new ATOM 0 HH11 ARG A 24 3.141 -8.845 3.257 1.00 10.00 H new ATOM 0 HH12 ARG A 24 3.383 -10.581 3.035 1.00 10.00 H new ATOM 0 HH21 ARG A 24 3.373 -11.304 6.512 1.00 10.00 H new ATOM 0 HH22 ARG A 24 3.515 -11.979 4.885 1.00 10.00 H new ATOM 368 N LEU A 25 0.315 -2.964 5.684 1.00 10.00 N ATOM 369 CA LEU A 25 0.715 -1.579 5.905 1.00 10.00 C ATOM 370 C LEU A 25 0.562 -1.181 7.374 1.00 10.00 C ATOM 371 O LEU A 25 1.474 -0.594 7.944 1.00 10.00 O ATOM 372 CB LEU A 25 -0.060 -0.634 4.982 1.00 10.00 C ATOM 373 CG LEU A 25 0.266 -0.841 3.493 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.549 0.155 2.672 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.743 -0.616 3.175 1.00 10.00 C ATOM 0 H LEU A 25 -0.412 -3.082 4.978 1.00 10.00 H new ATOM 0 HA LEU A 25 1.773 -1.492 5.657 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.129 -0.780 5.137 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.164 0.397 5.257 1.00 10.00 H new ATOM 0 HG LEU A 25 0.021 -1.874 3.247 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.328 0.020 1.613 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.612 -0.014 2.846 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.290 1.171 2.970 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.914 -0.776 2.110 1.00 10.00 H new ATOM 0 HD22 LEU A 25 2.020 0.405 3.438 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.350 -1.316 3.749 1.00 10.00 H new ATOM 387 N ASN A 26 -0.555 -1.549 8.007 1.00 10.00 N ATOM 388 CA ASN A 26 -0.766 -1.356 9.439 1.00 10.00 C ATOM 389 C ASN A 26 0.376 -1.965 10.251 1.00 10.00 C ATOM 390 O ASN A 26 0.761 -1.431 11.286 1.00 10.00 O ATOM 391 CB ASN A 26 -2.092 -1.996 9.876 1.00 10.00 C ATOM 392 CG ASN A 26 -3.260 -1.019 9.806 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.699 -0.494 10.823 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.789 -0.777 8.612 1.00 10.00 N ATOM 0 H ASN A 26 -1.343 -1.992 7.534 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.798 -0.283 9.626 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.303 -2.857 9.241 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.994 -2.368 10.896 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.581 -0.140 8.525 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.403 -1.228 7.782 1.00 10.00 H new ATOM 401 N LYS A 27 0.898 -3.107 9.799 1.00 10.00 N ATOM 402 CA LYS A 27 1.997 -3.794 10.456 1.00 10.00 C ATOM 403 C LYS A 27 3.353 -3.106 10.227 1.00 10.00 C ATOM 404 O LYS A 27 4.332 -3.517 10.847 1.00 10.00 O ATOM 405 CB LYS A 27 2.011 -5.275 10.032 1.00 10.00 C ATOM 406 CG LYS A 27 2.532 -6.167 11.167 1.00 10.00 C ATOM 407 CD LYS A 27 2.461 -7.658 10.800 1.00 10.00 C ATOM 408 CE LYS A 27 2.039 -8.470 12.035 1.00 10.00 C ATOM 409 NZ LYS A 27 2.083 -9.929 11.804 1.00 10.00 N ATOM 0 H LYS A 27 0.563 -3.580 8.960 1.00 10.00 H new ATOM 0 HA LYS A 27 1.832 -3.743 11.532 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.005 -5.587 9.753 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.639 -5.399 9.150 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.563 -5.898 11.397 1.00 10.00 H new ATOM 0 HG3 LYS A 27 1.947 -5.986 12.069 1.00 10.00 H new ATOM 0 HD2 LYS A 27 1.748 -7.811 9.990 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.431 -8.001 10.440 1.00 10.00 H new ATOM 0 HE2 LYS A 27 2.693 -8.219 12.870 1.00 10.00 H new ATOM 0 HE3 LYS A 27 1.028 -8.183 12.325 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 1.789 -10.426 12.669 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 1.439 -10.177 11.026 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 3.052 -10.212 11.554 1.00 10.00 H new ATOM 423 N ILE A 28 3.441 -2.098 9.348 1.00 10.00 N ATOM 424 CA ILE A 28 4.640 -1.280 9.196 1.00 10.00 C ATOM 425 C ILE A 28 4.489 -0.034 10.065 1.00 10.00 C ATOM 426 O ILE A 28 3.465 0.648 10.043 1.00 10.00 O ATOM 427 CB ILE A 28 4.880 -0.888 7.729 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.782 -2.033 6.720 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.175 -0.081 7.546 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.758 -3.130 7.080 1.00 10.00 C ATOM 0 H ILE A 28 2.679 -1.831 8.724 1.00 10.00 H new ATOM 0 HA ILE A 28 5.507 -1.859 9.514 1.00 10.00 H new ATOM 0 HB ILE A 28 4.037 -0.240 7.491 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.767 -2.429 6.706 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.993 -1.663 5.717 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.300 0.172 6.493 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.120 0.834 8.135 1.00 10.00 H new ATOM 0 HG23 ILE A 28 7.025 -0.676 7.880 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.679 -3.940 6.355 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.773 -2.732 7.070 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.527 -3.510 8.075 1.00 10.00 H new ATOM 442 N GLU A 29 5.544 0.270 10.811 1.00 10.00 N ATOM 443 CA GLU A 29 5.609 1.411 11.706 1.00 10.00 C ATOM 444 C GLU A 29 5.892 2.669 10.882 1.00 10.00 C ATOM 445 O GLU A 29 6.664 2.613 9.928 1.00 10.00 O ATOM 446 CB GLU A 29 6.717 1.178 12.743 1.00 10.00 C ATOM 447 CG GLU A 29 6.499 -0.089 13.592 1.00 10.00 C ATOM 448 CD GLU A 29 5.380 0.041 14.623 1.00 10.00 C ATOM 449 OE1 GLU A 29 4.761 1.126 14.681 1.00 10.00 O ATOM 450 OE2 GLU A 29 5.178 -0.955 15.351 1.00 10.00 O ATOM 0 H GLU A 29 6.399 -0.287 10.808 1.00 10.00 H new ATOM 0 HA GLU A 29 4.663 1.538 12.232 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.676 1.103 12.230 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.776 2.044 13.403 1.00 10.00 H new ATOM 0 HG2 GLU A 29 6.273 -0.924 12.929 1.00 10.00 H new ATOM 0 HG3 GLU A 29 7.428 -0.333 14.107 1.00 10.00 H new ATOM 457 N GLY A 30 5.271 3.798 11.238 1.00 10.00 N ATOM 458 CA GLY A 30 5.480 5.079 10.565 1.00 10.00 C ATOM 459 C GLY A 30 4.406 5.399 9.522 1.00 10.00 C ATOM 460 O GLY A 30 4.422 6.486 8.935 1.00 10.00 O ATOM 0 H GLY A 30 4.604 3.846 12.008 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.500 5.874 11.311 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.456 5.072 10.080 1.00 10.00 H new ATOM 464 N VAL A 31 3.466 4.473 9.303 1.00 10.00 N ATOM 465 CA VAL A 31 2.312 4.673 8.440 1.00 10.00 C ATOM 466 C VAL A 31 1.166 5.206 9.303 1.00 10.00 C ATOM 467 O VAL A 31 0.947 4.711 10.405 1.00 10.00 O ATOM 468 CB VAL A 31 1.936 3.359 7.731 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.843 3.614 6.682 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.154 2.735 7.035 1.00 10.00 C ATOM 0 H VAL A 31 3.493 3.548 9.732 1.00 10.00 H new ATOM 0 HA VAL A 31 2.537 5.396 7.656 1.00 10.00 H new ATOM 0 HB VAL A 31 1.569 2.669 8.491 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.587 2.677 6.188 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.042 4.021 7.171 1.00 10.00 H new ATOM 0 HG13 VAL A 31 1.208 4.326 5.942 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.857 1.809 6.543 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.545 3.431 6.293 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.926 2.522 7.774 1.00 10.00 H new ATOM 480 N ALA A 32 0.454 6.225 8.813 1.00 10.00 N ATOM 481 CA ALA A 32 -0.703 6.797 9.481 1.00 10.00 C ATOM 482 C ALA A 32 -1.975 6.113 8.986 1.00 10.00 C ATOM 483 O ALA A 32 -2.744 5.604 9.794 1.00 10.00 O ATOM 484 CB ALA A 32 -0.757 8.310 9.249 1.00 10.00 C ATOM 0 H ALA A 32 0.675 6.678 7.926 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.620 6.629 10.555 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.629 8.725 9.755 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.147 8.772 9.646 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.828 8.512 8.180 1.00 10.00 H new ATOM 490 N ASN A 33 -2.201 6.097 7.665 1.00 10.00 N ATOM 491 CA ASN A 33 -3.370 5.464 7.061 1.00 10.00 C ATOM 492 C ASN A 33 -2.972 4.906 5.701 1.00 10.00 C ATOM 493 O ASN A 33 -1.908 5.235 5.178 1.00 10.00 O ATOM 494 CB ASN A 33 -4.538 6.447 6.865 1.00 10.00 C ATOM 495 CG ASN A 33 -4.992 7.156 8.134 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.509 6.528 9.053 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.854 8.477 8.183 1.00 10.00 N ATOM 0 H ASN A 33 -1.572 6.526 6.987 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.707 4.678 7.737 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -4.244 7.197 6.131 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.385 5.905 6.445 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.182 8.994 8.999 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.420 8.974 7.405 1.00 10.00 H new ATOM 504 N ALA A 34 -3.842 4.086 5.112 1.00 10.00 N ATOM 505 CA ALA A 34 -3.653 3.524 3.785 1.00 10.00 C ATOM 506 C ALA A 34 -4.935 2.907 3.213 1.00 10.00 C ATOM 507 O ALA A 34 -4.927 1.726 2.876 1.00 10.00 O ATOM 508 CB ALA A 34 -2.532 2.486 3.826 1.00 10.00 C ATOM 0 H ALA A 34 -4.712 3.792 5.556 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.379 4.342 3.118 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.390 2.064 2.831 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.608 2.962 4.154 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.798 1.691 4.522 1.00 10.00 H new ATOM 514 N PRO A 35 -6.028 3.671 3.074 1.00 10.00 N ATOM 515 CA PRO A 35 -7.242 3.164 2.456 1.00 10.00 C ATOM 516 C PRO A 35 -6.983 2.794 0.988 1.00 10.00 C ATOM 517 O PRO A 35 -6.512 3.620 0.201 1.00 10.00 O ATOM 518 CB PRO A 35 -8.276 4.283 2.608 1.00 10.00 C ATOM 519 CG PRO A 35 -7.423 5.550 2.691 1.00 10.00 C ATOM 520 CD PRO A 35 -6.177 5.073 3.436 1.00 10.00 C ATOM 0 HA PRO A 35 -7.601 2.249 2.927 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.960 4.315 1.760 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.884 4.149 3.503 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.179 5.938 1.702 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -7.935 6.348 3.229 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.299 5.650 3.145 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.293 5.191 4.513 1.00 10.00 H new ATOM 528 N VAL A 36 -7.282 1.546 0.621 1.00 10.00 N ATOM 529 CA VAL A 36 -7.172 1.052 -0.742 1.00 10.00 C ATOM 530 C VAL A 36 -8.430 1.421 -1.526 1.00 10.00 C ATOM 531 O VAL A 36 -9.547 1.198 -1.062 1.00 10.00 O ATOM 532 CB VAL A 36 -6.960 -0.467 -0.725 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.918 -1.031 -2.147 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.642 -0.826 -0.032 1.00 10.00 C ATOM 0 H VAL A 36 -7.613 0.841 1.280 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.315 1.513 -1.232 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.798 -0.900 -0.179 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.767 -2.110 -2.106 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.860 -0.815 -2.652 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -6.098 -0.570 -2.697 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.514 -1.908 -0.032 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.812 -0.362 -0.565 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.661 -0.463 0.996 1.00 10.00 H new ATOM 544 N ASN A 37 -8.255 1.944 -2.741 1.00 10.00 N ATOM 545 CA ASN A 37 -9.356 2.293 -3.620 1.00 10.00 C ATOM 546 C ASN A 37 -9.564 1.180 -4.647 1.00 10.00 C ATOM 547 O ASN A 37 -8.978 1.190 -5.736 1.00 10.00 O ATOM 548 CB ASN A 37 -9.089 3.644 -4.273 1.00 10.00 C ATOM 549 CG ASN A 37 -10.202 3.949 -5.261 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.366 4.056 -4.895 1.00 10.00 O ATOM 551 ND2 ASN A 37 -9.860 4.048 -6.537 1.00 10.00 N ATOM 0 H ASN A 37 -7.336 2.136 -3.139 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.279 2.388 -3.048 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.036 4.424 -3.514 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.126 3.631 -4.784 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.575 4.218 -7.245 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -8.882 3.954 -6.812 1.00 10.00 H new ATOM 558 N PHE A 38 -10.420 0.219 -4.288 1.00 10.00 N ATOM 559 CA PHE A 38 -10.767 -0.938 -5.105 1.00 10.00 C ATOM 560 C PHE A 38 -11.677 -0.526 -6.269 1.00 10.00 C ATOM 561 O PHE A 38 -12.851 -0.888 -6.324 1.00 10.00 O ATOM 562 CB PHE A 38 -11.418 -2.003 -4.214 1.00 10.00 C ATOM 563 CG PHE A 38 -11.430 -3.396 -4.811 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.248 -4.154 -4.801 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.606 -3.943 -5.359 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.257 -5.481 -5.256 1.00 10.00 C ATOM 567 CE2 PHE A 38 -12.598 -5.253 -5.874 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.425 -6.027 -5.813 1.00 10.00 C ATOM 0 H PHE A 38 -10.904 0.229 -3.390 1.00 10.00 H new ATOM 0 HA PHE A 38 -9.866 -1.363 -5.547 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -10.890 -2.034 -3.261 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.444 -1.703 -4.001 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.329 -3.714 -4.442 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.513 -3.358 -5.384 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.364 -6.084 -5.178 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.493 -5.664 -6.316 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.423 -7.038 -6.193 1.00 10.00 H new ATOM 578 N ALA A 39 -11.124 0.260 -7.191 1.00 10.00 N ATOM 579 CA ALA A 39 -11.796 0.740 -8.391 1.00 10.00 C ATOM 580 C ALA A 39 -10.757 1.125 -9.443 1.00 10.00 C ATOM 581 O ALA A 39 -10.795 0.635 -10.567 1.00 10.00 O ATOM 582 CB ALA A 39 -12.713 1.918 -8.046 1.00 10.00 C ATOM 0 H ALA A 39 -10.162 0.590 -7.118 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.419 -0.053 -8.805 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.210 2.269 -8.950 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.461 1.596 -7.322 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.120 2.728 -7.620 1.00 10.00 H new ATOM 588 N LEU A 40 -9.819 2.002 -9.069 1.00 10.00 N ATOM 589 CA LEU A 40 -8.713 2.422 -9.937 1.00 10.00 C ATOM 590 C LEU A 40 -7.531 1.455 -9.818 1.00 10.00 C ATOM 591 O LEU A 40 -6.596 1.521 -10.610 1.00 10.00 O ATOM 592 CB LEU A 40 -8.258 3.851 -9.593 1.00 10.00 C ATOM 593 CG LEU A 40 -9.339 4.901 -9.581 1.00 10.00 C ATOM 594 CD1 LEU A 40 -8.931 6.170 -8.820 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.777 5.258 -10.994 1.00 10.00 C ATOM 0 H LEU A 40 -9.806 2.443 -8.150 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.074 2.409 -10.965 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.784 3.834 -8.612 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.495 4.151 -10.311 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.181 4.460 -9.047 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.750 6.889 -8.846 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.704 5.916 -7.785 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.049 6.607 -9.288 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.558 6.018 -10.952 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.924 5.644 -11.553 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.163 4.368 -11.491 1.00 10.00 H new ATOM 607 N GLU A 41 -7.574 0.593 -8.798 1.00 10.00 N ATOM 608 CA GLU A 41 -6.516 -0.336 -8.420 1.00 10.00 C ATOM 609 C GLU A 41 -5.314 0.479 -7.927 1.00 10.00 C ATOM 610 O GLU A 41 -4.185 0.390 -8.405 1.00 10.00 O ATOM 611 CB GLU A 41 -6.223 -1.370 -9.529 1.00 10.00 C ATOM 612 CG GLU A 41 -6.073 -2.771 -8.905 1.00 10.00 C ATOM 613 CD GLU A 41 -5.725 -3.901 -9.878 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.116 -3.778 -11.057 1.00 10.00 O ATOM 615 OE2 GLU A 41 -5.127 -4.904 -9.409 1.00 10.00 O ATOM 0 H GLU A 41 -8.388 0.524 -8.187 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.830 -0.968 -7.589 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -7.031 -1.372 -10.261 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.311 -1.099 -10.061 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.299 -2.726 -8.139 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.006 -3.025 -8.401 1.00 10.00 H new ATOM 622 N THR A 42 -5.605 1.344 -6.957 1.00 10.00 N ATOM 623 CA THR A 42 -4.675 2.304 -6.390 1.00 10.00 C ATOM 624 C THR A 42 -4.875 2.324 -4.873 1.00 10.00 C ATOM 625 O THR A 42 -5.999 2.142 -4.404 1.00 10.00 O ATOM 626 CB THR A 42 -4.940 3.680 -7.029 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.945 3.558 -8.442 1.00 10.00 O ATOM 628 CG2 THR A 42 -3.915 4.751 -6.643 1.00 10.00 C ATOM 0 H THR A 42 -6.531 1.393 -6.532 1.00 10.00 H new ATOM 0 HA THR A 42 -3.639 2.035 -6.594 1.00 10.00 H new ATOM 0 HB THR A 42 -5.909 4.004 -6.648 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.115 4.435 -8.845 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.169 5.691 -7.132 1.00 10.00 H new ATOM 0 HG22 THR A 42 -3.924 4.890 -5.562 1.00 10.00 H new ATOM 0 HG23 THR A 42 -2.921 4.434 -6.960 1.00 10.00 H new ATOM 636 N VAL A 43 -3.802 2.546 -4.111 1.00 10.00 N ATOM 637 CA VAL A 43 -3.858 2.823 -2.681 1.00 10.00 C ATOM 638 C VAL A 43 -3.296 4.221 -2.443 1.00 10.00 C ATOM 639 O VAL A 43 -2.320 4.604 -3.091 1.00 10.00 O ATOM 640 CB VAL A 43 -3.105 1.739 -1.888 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.617 1.679 -2.250 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.244 1.944 -0.373 1.00 10.00 C ATOM 0 H VAL A 43 -2.852 2.537 -4.482 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.888 2.797 -2.325 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.569 0.793 -2.167 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.131 0.899 -1.664 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.509 1.455 -3.311 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.151 2.640 -2.033 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.699 1.159 0.152 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.835 2.916 -0.098 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.297 1.902 -0.095 1.00 10.00 H new ATOM 652 N THR A 44 -3.912 4.964 -1.520 1.00 10.00 N ATOM 653 CA THR A 44 -3.423 6.258 -1.066 1.00 10.00 C ATOM 654 C THR A 44 -2.856 6.051 0.333 1.00 10.00 C ATOM 655 O THR A 44 -3.621 5.917 1.284 1.00 10.00 O ATOM 656 CB THR A 44 -4.575 7.271 -1.064 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.209 7.257 -2.325 1.00 10.00 O ATOM 658 CG2 THR A 44 -4.073 8.689 -0.780 1.00 10.00 C ATOM 0 H THR A 44 -4.777 4.675 -1.063 1.00 10.00 H new ATOM 0 HA THR A 44 -2.649 6.653 -1.724 1.00 10.00 H new ATOM 0 HB THR A 44 -5.274 6.987 -0.277 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.947 7.902 -2.327 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.915 9.381 -0.786 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.589 8.715 0.196 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.357 8.982 -1.548 1.00 10.00 H new ATOM 666 N VAL A 45 -1.532 5.971 0.461 1.00 10.00 N ATOM 667 CA VAL A 45 -0.876 5.760 1.740 1.00 10.00 C ATOM 668 C VAL A 45 -0.531 7.112 2.344 1.00 10.00 C ATOM 669 O VAL A 45 0.166 7.914 1.725 1.00 10.00 O ATOM 670 CB VAL A 45 0.361 4.873 1.573 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.052 4.618 2.919 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.059 3.525 0.976 1.00 10.00 C ATOM 0 H VAL A 45 -0.887 6.052 -0.325 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.547 5.236 2.421 1.00 10.00 H new ATOM 0 HB VAL A 45 1.059 5.388 0.913 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.926 3.985 2.765 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.364 5.568 3.354 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.358 4.120 3.596 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.819 2.891 0.856 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.770 3.037 1.643 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.525 3.687 0.004 1.00 10.00 H new ATOM 682 N GLU A 46 -0.996 7.341 3.569 1.00 10.00 N ATOM 683 CA GLU A 46 -0.581 8.453 4.393 1.00 10.00 C ATOM 684 C GLU A 46 0.462 7.925 5.374 1.00 10.00 C ATOM 685 O GLU A 46 0.130 7.097 6.224 1.00 10.00 O ATOM 686 CB GLU A 46 -1.798 9.025 5.123 1.00 10.00 C ATOM 687 CG GLU A 46 -2.781 9.705 4.159 1.00 10.00 C ATOM 688 CD GLU A 46 -3.889 10.434 4.909 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.308 9.892 5.957 1.00 10.00 O ATOM 690 OE2 GLU A 46 -4.283 11.524 4.434 1.00 10.00 O ATOM 0 H GLU A 46 -1.687 6.740 4.019 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.148 9.257 3.797 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.310 8.224 5.657 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.466 9.746 5.871 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -2.242 10.412 3.528 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -3.219 8.957 3.498 1.00 10.00 H new ATOM 697 N TYR A 47 1.712 8.381 5.268 1.00 10.00 N ATOM 698 CA TYR A 47 2.790 7.997 6.169 1.00 10.00 C ATOM 699 C TYR A 47 3.675 9.201 6.450 1.00 10.00 C ATOM 700 O TYR A 47 3.508 10.253 5.830 1.00 10.00 O ATOM 701 CB TYR A 47 3.599 6.820 5.602 1.00 10.00 C ATOM 702 CG TYR A 47 4.514 7.131 4.430 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.991 7.259 3.131 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.906 7.220 4.633 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.857 7.501 2.050 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.767 7.449 3.548 1.00 10.00 C ATOM 707 CZ TYR A 47 6.236 7.637 2.265 1.00 10.00 C ATOM 708 OH TYR A 47 7.037 8.092 1.267 1.00 10.00 O ATOM 0 H TYR A 47 2.003 9.036 4.542 1.00 10.00 H new ATOM 0 HA TYR A 47 2.358 7.657 7.110 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.204 6.403 6.407 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.900 6.043 5.293 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.928 7.172 2.964 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.312 7.112 5.628 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.458 7.582 1.050 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.836 7.480 3.702 1.00 10.00 H new ATOM 0 HH TYR A 47 6.782 9.009 1.035 1.00 10.00 H new ATOM 718 N ASN A 48 4.610 9.043 7.391 1.00 10.00 N ATOM 719 CA ASN A 48 5.612 10.065 7.675 1.00 10.00 C ATOM 720 C ASN A 48 6.946 9.637 7.058 1.00 10.00 C ATOM 721 O ASN A 48 7.485 8.614 7.484 1.00 10.00 O ATOM 722 CB ASN A 48 5.751 10.309 9.189 1.00 10.00 C ATOM 723 CG ASN A 48 6.261 11.726 9.463 1.00 10.00 C ATOM 724 OD1 ASN A 48 5.585 12.550 10.086 1.00 10.00 O ATOM 725 ND2 ASN A 48 7.452 12.053 8.978 1.00 10.00 N ATOM 0 H ASN A 48 4.691 8.208 7.972 1.00 10.00 H new ATOM 0 HA ASN A 48 5.296 11.009 7.232 1.00 10.00 H new ATOM 0 HB2 ASN A 48 4.787 10.163 9.676 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.438 9.580 9.618 1.00 10.00 H new ATOM 0 HD21 ASN A 48 7.819 12.994 9.118 1.00 10.00 H new ATOM 0 HD22 ASN A 48 8.001 11.363 8.465 1.00 10.00 H new ATOM 732 N PRO A 49 7.525 10.398 6.112 1.00 10.00 N ATOM 733 CA PRO A 49 8.795 10.059 5.481 1.00 10.00 C ATOM 734 C PRO A 49 9.966 10.397 6.413 1.00 10.00 C ATOM 735 O PRO A 49 10.863 11.162 6.064 1.00 10.00 O ATOM 736 CB PRO A 49 8.813 10.874 4.183 1.00 10.00 C ATOM 737 CG PRO A 49 8.082 12.150 4.596 1.00 10.00 C ATOM 738 CD PRO A 49 6.985 11.616 5.519 1.00 10.00 C ATOM 0 HA PRO A 49 8.899 8.994 5.272 1.00 10.00 H new ATOM 0 HB2 PRO A 49 9.829 11.078 3.844 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.303 10.357 3.370 1.00 10.00 H new ATOM 0 HG2 PRO A 49 8.742 12.848 5.111 1.00 10.00 H new ATOM 0 HG3 PRO A 49 7.669 12.678 3.737 1.00 10.00 H new ATOM 0 HD2 PRO A 49 6.731 12.346 6.288 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.072 11.408 4.962 1.00 10.00 H new ATOM 746 N LYS A 50 9.949 9.829 7.619 1.00 10.00 N ATOM 747 CA LYS A 50 11.020 9.931 8.598 1.00 10.00 C ATOM 748 C LYS A 50 11.061 8.668 9.480 1.00 10.00 C ATOM 749 O LYS A 50 11.735 8.672 10.510 1.00 10.00 O ATOM 750 CB LYS A 50 10.787 11.197 9.439 1.00 10.00 C ATOM 751 CG LYS A 50 12.076 11.676 10.122 1.00 10.00 C ATOM 752 CD LYS A 50 11.767 12.442 11.417 1.00 10.00 C ATOM 753 CE LYS A 50 12.984 12.465 12.352 1.00 10.00 C ATOM 754 NZ LYS A 50 13.258 11.130 12.935 1.00 10.00 N ATOM 0 H LYS A 50 9.163 9.269 7.947 1.00 10.00 H new ATOM 0 HA LYS A 50 11.986 10.005 8.098 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.398 11.990 8.801 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.028 10.996 10.195 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.712 10.819 10.346 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.634 12.318 9.441 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.470 13.463 11.177 1.00 10.00 H new ATOM 0 HD3 LYS A 50 10.923 11.976 11.926 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.860 12.807 11.800 1.00 10.00 H new ATOM 0 HE3 LYS A 50 12.812 13.183 13.154 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 13.869 11.235 13.770 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 12.362 10.683 13.215 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 13.736 10.534 12.229 1.00 10.00 H new ATOM 768 N GLU A 51 10.325 7.622 9.083 1.00 10.00 N ATOM 769 CA GLU A 51 10.142 6.377 9.817 1.00 10.00 C ATOM 770 C GLU A 51 9.963 5.258 8.787 1.00 10.00 C ATOM 771 O GLU A 51 10.815 4.383 8.660 1.00 10.00 O ATOM 772 CB GLU A 51 8.897 6.471 10.722 1.00 10.00 C ATOM 773 CG GLU A 51 9.074 7.294 12.007 1.00 10.00 C ATOM 774 CD GLU A 51 9.761 6.521 13.130 1.00 10.00 C ATOM 775 OE1 GLU A 51 10.777 5.855 12.845 1.00 10.00 O ATOM 776 OE2 GLU A 51 9.255 6.628 14.268 1.00 10.00 O ATOM 0 H GLU A 51 9.819 7.628 8.197 1.00 10.00 H new ATOM 0 HA GLU A 51 11.004 6.177 10.453 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.081 6.904 10.144 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.592 5.461 10.997 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.657 8.187 11.781 1.00 10.00 H new ATOM 0 HG3 GLU A 51 8.096 7.630 12.352 1.00 10.00 H new ATOM 783 N ALA A 52 8.859 5.310 8.032 1.00 10.00 N ATOM 784 CA ALA A 52 8.577 4.387 6.951 1.00 10.00 C ATOM 785 C ALA A 52 9.132 4.956 5.649 1.00 10.00 C ATOM 786 O ALA A 52 9.403 6.154 5.541 1.00 10.00 O ATOM 787 CB ALA A 52 7.065 4.167 6.837 1.00 10.00 C ATOM 0 H ALA A 52 8.130 6.011 8.166 1.00 10.00 H new ATOM 0 HA ALA A 52 9.052 3.427 7.153 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.859 3.472 6.023 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.686 3.753 7.772 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.573 5.119 6.635 1.00 10.00 H new ATOM 793 N SER A 53 9.256 4.077 4.659 1.00 10.00 N ATOM 794 CA SER A 53 9.808 4.358 3.344 1.00 10.00 C ATOM 795 C SER A 53 8.960 3.646 2.291 1.00 10.00 C ATOM 796 O SER A 53 8.580 2.489 2.478 1.00 10.00 O ATOM 797 CB SER A 53 11.276 3.902 3.263 1.00 10.00 C ATOM 798 OG SER A 53 11.760 3.415 4.500 1.00 10.00 O ATOM 0 H SER A 53 8.960 3.106 4.760 1.00 10.00 H new ATOM 0 HA SER A 53 9.787 5.432 3.161 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.370 3.122 2.507 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.895 4.738 2.938 1.00 10.00 H new ATOM 0 HG SER A 53 11.658 2.441 4.530 1.00 10.00 H new ATOM 804 N VAL A 54 8.688 4.327 1.172 1.00 10.00 N ATOM 805 CA VAL A 54 7.883 3.794 0.081 1.00 10.00 C ATOM 806 C VAL A 54 8.389 2.408 -0.346 1.00 10.00 C ATOM 807 O VAL A 54 7.605 1.477 -0.482 1.00 10.00 O ATOM 808 CB VAL A 54 7.775 4.828 -1.057 1.00 10.00 C ATOM 809 CG1 VAL A 54 9.122 5.210 -1.685 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.800 4.381 -2.154 1.00 10.00 C ATOM 0 H VAL A 54 9.027 5.274 1.002 1.00 10.00 H new ATOM 0 HA VAL A 54 6.860 3.625 0.418 1.00 10.00 H new ATOM 0 HB VAL A 54 7.383 5.723 -0.573 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.960 5.941 -2.477 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.771 5.640 -0.922 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.594 4.321 -2.103 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.757 5.141 -2.934 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.142 3.439 -2.583 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.807 4.245 -1.725 1.00 10.00 H new ATOM 820 N SER A 55 9.705 2.244 -0.496 1.00 10.00 N ATOM 821 CA SER A 55 10.327 0.981 -0.866 1.00 10.00 C ATOM 822 C SER A 55 10.070 -0.146 0.147 1.00 10.00 C ATOM 823 O SER A 55 9.917 -1.304 -0.242 1.00 10.00 O ATOM 824 CB SER A 55 11.826 1.221 -1.055 1.00 10.00 C ATOM 825 OG SER A 55 12.004 2.401 -1.817 1.00 10.00 O ATOM 0 H SER A 55 10.375 3.001 -0.360 1.00 10.00 H new ATOM 0 HA SER A 55 9.873 0.638 -1.796 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.318 1.318 -0.087 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.284 0.371 -1.562 1.00 10.00 H new ATOM 0 HG SER A 55 12.961 2.567 -1.944 1.00 10.00 H new ATOM 831 N ASP A 56 10.032 0.165 1.445 1.00 10.00 N ATOM 832 CA ASP A 56 9.852 -0.854 2.474 1.00 10.00 C ATOM 833 C ASP A 56 8.438 -1.399 2.352 1.00 10.00 C ATOM 834 O ASP A 56 8.211 -2.603 2.219 1.00 10.00 O ATOM 835 CB ASP A 56 10.088 -0.263 3.868 1.00 10.00 C ATOM 836 CG ASP A 56 11.569 -0.107 4.153 1.00 10.00 C ATOM 837 OD1 ASP A 56 12.113 0.933 3.727 1.00 10.00 O ATOM 838 OD2 ASP A 56 12.127 -1.028 4.783 1.00 10.00 O ATOM 0 H ASP A 56 10.124 1.115 1.805 1.00 10.00 H new ATOM 0 HA ASP A 56 10.575 -1.658 2.336 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.596 0.707 3.943 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.636 -0.909 4.621 1.00 10.00 H new ATOM 843 N LEU A 57 7.471 -0.481 2.362 1.00 10.00 N ATOM 844 CA LEU A 57 6.083 -0.870 2.207 1.00 10.00 C ATOM 845 C LEU A 57 5.852 -1.523 0.841 1.00 10.00 C ATOM 846 O LEU A 57 5.056 -2.456 0.739 1.00 10.00 O ATOM 847 CB LEU A 57 5.137 0.274 2.576 1.00 10.00 C ATOM 848 CG LEU A 57 5.232 1.551 1.739 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.475 1.441 0.410 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.637 2.714 2.539 1.00 10.00 C ATOM 0 H LEU A 57 7.627 0.521 2.474 1.00 10.00 H new ATOM 0 HA LEU A 57 5.834 -1.650 2.926 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.114 -0.098 2.512 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.315 0.538 3.618 1.00 10.00 H new ATOM 0 HG LEU A 57 6.286 1.715 1.513 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.575 2.374 -0.144 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.890 0.623 -0.179 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.421 1.247 0.607 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.700 3.630 1.951 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.593 2.501 2.769 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.194 2.840 3.467 1.00 10.00 H new ATOM 862 N LYS A 58 6.587 -1.091 -0.195 1.00 10.00 N ATOM 863 CA LYS A 58 6.587 -1.770 -1.481 1.00 10.00 C ATOM 864 C LYS A 58 6.879 -3.248 -1.232 1.00 10.00 C ATOM 865 O LYS A 58 6.069 -4.091 -1.598 1.00 10.00 O ATOM 866 CB LYS A 58 7.609 -1.137 -2.450 1.00 10.00 C ATOM 867 CG LYS A 58 7.401 -1.404 -3.947 1.00 10.00 C ATOM 868 CD LYS A 58 6.983 -2.844 -4.253 1.00 10.00 C ATOM 869 CE LYS A 58 7.212 -3.229 -5.721 1.00 10.00 C ATOM 870 NZ LYS A 58 8.411 -4.077 -5.883 1.00 10.00 N ATOM 0 H LYS A 58 7.189 -0.269 -0.157 1.00 10.00 H new ATOM 0 HA LYS A 58 5.613 -1.666 -1.960 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.603 -0.058 -2.293 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.602 -1.493 -2.176 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.640 -0.723 -4.328 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.325 -1.180 -4.481 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.543 -3.524 -3.612 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.928 -2.971 -4.009 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.338 -3.759 -6.099 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.321 -2.326 -6.321 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.915 -3.803 -6.750 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.039 -3.951 -5.063 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 8.124 -5.074 -5.949 1.00 10.00 H new ATOM 884 N GLU A 59 8.027 -3.562 -0.622 1.00 10.00 N ATOM 885 CA GLU A 59 8.455 -4.939 -0.386 1.00 10.00 C ATOM 886 C GLU A 59 7.379 -5.707 0.391 1.00 10.00 C ATOM 887 O GLU A 59 7.018 -6.825 0.041 1.00 10.00 O ATOM 888 CB GLU A 59 9.816 -4.921 0.331 1.00 10.00 C ATOM 889 CG GLU A 59 10.610 -6.227 0.175 1.00 10.00 C ATOM 890 CD GLU A 59 10.086 -7.395 1.001 1.00 10.00 C ATOM 891 OE1 GLU A 59 9.516 -7.153 2.088 1.00 10.00 O ATOM 892 OE2 GLU A 59 10.302 -8.536 0.543 1.00 10.00 O ATOM 0 H GLU A 59 8.686 -2.863 -0.278 1.00 10.00 H new ATOM 0 HA GLU A 59 8.583 -5.467 -1.331 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.411 -4.095 -0.058 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.656 -4.727 1.392 1.00 10.00 H new ATOM 0 HG2 GLU A 59 10.608 -6.514 -0.877 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.647 -6.040 0.452 1.00 10.00 H new ATOM 899 N ALA A 60 6.813 -5.069 1.412 1.00 10.00 N ATOM 900 CA ALA A 60 5.773 -5.618 2.268 1.00 10.00 C ATOM 901 C ALA A 60 4.511 -5.978 1.479 1.00 10.00 C ATOM 902 O ALA A 60 3.861 -6.983 1.785 1.00 10.00 O ATOM 903 CB ALA A 60 5.456 -4.620 3.384 1.00 10.00 C ATOM 0 H ALA A 60 7.078 -4.119 1.673 1.00 10.00 H new ATOM 0 HA ALA A 60 6.142 -6.546 2.705 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.677 -5.029 4.027 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.354 -4.436 3.974 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.111 -3.683 2.947 1.00 10.00 H new ATOM 909 N VAL A 61 4.156 -5.156 0.484 1.00 10.00 N ATOM 910 CA VAL A 61 3.052 -5.425 -0.424 1.00 10.00 C ATOM 911 C VAL A 61 3.444 -6.532 -1.404 1.00 10.00 C ATOM 912 O VAL A 61 2.680 -7.471 -1.613 1.00 10.00 O ATOM 913 CB VAL A 61 2.629 -4.118 -1.120 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.739 -4.385 -2.338 1.00 10.00 C ATOM 915 CG2 VAL A 61 1.872 -3.243 -0.111 1.00 10.00 C ATOM 0 H VAL A 61 4.637 -4.278 0.291 1.00 10.00 H new ATOM 0 HA VAL A 61 2.183 -5.788 0.125 1.00 10.00 H new ATOM 0 HB VAL A 61 3.526 -3.609 -1.473 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.462 -3.438 -2.801 1.00 10.00 H new ATOM 0 HG12 VAL A 61 2.282 -4.996 -3.059 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.838 -4.911 -2.022 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.567 -2.314 -0.592 1.00 10.00 H new ATOM 0 HG22 VAL A 61 0.989 -3.776 0.242 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.522 -3.017 0.734 1.00 10.00 H new ATOM 925 N ASP A 62 4.644 -6.444 -1.979 1.00 10.00 N ATOM 926 CA ASP A 62 5.202 -7.451 -2.874 1.00 10.00 C ATOM 927 C ASP A 62 5.103 -8.827 -2.199 1.00 10.00 C ATOM 928 O ASP A 62 4.607 -9.790 -2.785 1.00 10.00 O ATOM 929 CB ASP A 62 6.647 -7.070 -3.247 1.00 10.00 C ATOM 930 CG ASP A 62 6.976 -7.372 -4.700 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.814 -8.537 -5.111 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.378 -6.410 -5.397 1.00 10.00 O ATOM 0 H ASP A 62 5.267 -5.651 -1.830 1.00 10.00 H new ATOM 0 HA ASP A 62 4.638 -7.499 -3.806 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.799 -6.007 -3.058 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.339 -7.611 -2.602 1.00 10.00 H new ATOM 937 N LYS A 63 5.458 -8.884 -0.907 1.00 10.00 N ATOM 938 CA LYS A 63 5.384 -10.065 -0.065 1.00 10.00 C ATOM 939 C LYS A 63 3.979 -10.680 0.060 1.00 10.00 C ATOM 940 O LYS A 63 3.850 -11.740 0.672 1.00 10.00 O ATOM 941 CB LYS A 63 5.925 -9.696 1.324 1.00 10.00 C ATOM 942 CG LYS A 63 7.416 -10.000 1.488 1.00 10.00 C ATOM 943 CD LYS A 63 7.827 -9.786 2.951 1.00 10.00 C ATOM 944 CE LYS A 63 9.275 -10.243 3.182 1.00 10.00 C ATOM 945 NZ LYS A 63 9.683 -10.114 4.592 1.00 10.00 N ATOM 0 H LYS A 63 5.818 -8.070 -0.409 1.00 10.00 H new ATOM 0 HA LYS A 63 5.986 -10.837 -0.544 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.755 -8.634 1.503 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.364 -10.241 2.083 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.623 -11.027 1.188 1.00 10.00 H new ATOM 0 HG3 LYS A 63 8.003 -9.353 0.836 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.727 -8.732 3.211 1.00 10.00 H new ATOM 0 HD3 LYS A 63 7.156 -10.341 3.607 1.00 10.00 H new ATOM 0 HE2 LYS A 63 9.380 -11.282 2.869 1.00 10.00 H new ATOM 0 HE3 LYS A 63 9.944 -9.652 2.557 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.667 -10.434 4.699 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 9.609 -9.119 4.885 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 9.062 -10.698 5.188 1.00 10.00 H new ATOM 959 N LEU A 64 2.921 -10.026 -0.428 1.00 10.00 N ATOM 960 CA LEU A 64 1.575 -10.592 -0.456 1.00 10.00 C ATOM 961 C LEU A 64 1.271 -11.272 -1.796 1.00 10.00 C ATOM 962 O LEU A 64 0.370 -12.107 -1.839 1.00 10.00 O ATOM 963 CB LEU A 64 0.544 -9.503 -0.155 1.00 10.00 C ATOM 964 CG LEU A 64 0.646 -8.940 1.271 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.084 -7.596 1.338 1.00 10.00 C ATOM 966 CD2 LEU A 64 0.023 -9.909 2.287 1.00 10.00 C ATOM 0 H LEU A 64 2.978 -9.084 -0.816 1.00 10.00 H new ATOM 0 HA LEU A 64 1.517 -11.360 0.315 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.669 -8.688 -0.869 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.456 -9.909 -0.306 1.00 10.00 H new ATOM 0 HG LEU A 64 1.699 -8.807 1.518 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.014 -7.194 2.349 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.374 -6.898 0.637 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.133 -7.738 1.076 1.00 10.00 H new ATOM 0 HD21 LEU A 64 0.107 -9.489 3.289 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.029 -10.063 2.045 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.548 -10.864 2.248 1.00 10.00 H new ATOM 978 N GLY A 65 1.995 -10.950 -2.878 1.00 10.00 N ATOM 979 CA GLY A 65 1.887 -11.665 -4.148 1.00 10.00 C ATOM 980 C GLY A 65 1.736 -10.718 -5.336 1.00 10.00 C ATOM 981 O GLY A 65 2.500 -10.798 -6.298 1.00 10.00 O ATOM 0 H GLY A 65 2.670 -10.186 -2.892 1.00 10.00 H new ATOM 0 HA2 GLY A 65 2.773 -12.284 -4.290 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.030 -12.338 -4.112 1.00 10.00 H new ATOM 985 N TYR A 66 0.742 -9.828 -5.293 1.00 10.00 N ATOM 986 CA TYR A 66 0.539 -8.787 -6.305 1.00 10.00 C ATOM 987 C TYR A 66 1.708 -7.793 -6.296 1.00 10.00 C ATOM 988 O TYR A 66 2.587 -7.889 -5.445 1.00 10.00 O ATOM 989 CB TYR A 66 -0.817 -8.093 -6.111 1.00 10.00 C ATOM 990 CG TYR A 66 -1.294 -8.009 -4.684 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.530 -7.298 -3.743 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.387 -8.788 -4.259 1.00 10.00 C ATOM 993 CE1 TYR A 66 -0.894 -7.330 -2.393 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.751 -8.800 -2.905 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.055 -8.001 -1.991 1.00 10.00 C ATOM 996 OH TYR A 66 -2.487 -7.884 -0.711 1.00 10.00 O ATOM 0 H TYR A 66 0.047 -9.809 -4.546 1.00 10.00 H new ATOM 0 HA TYR A 66 0.518 -9.254 -7.290 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.752 -7.083 -6.516 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.567 -8.624 -6.698 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.333 -6.731 -4.060 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.944 -9.375 -4.974 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.277 -6.835 -1.658 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.566 -9.424 -2.569 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.466 -7.846 -0.698 1.00 10.00 H new ATOM 1006 N LYS A 67 1.780 -6.896 -7.289 1.00 10.00 N ATOM 1007 CA LYS A 67 2.870 -5.920 -7.397 1.00 10.00 C ATOM 1008 C LYS A 67 2.303 -4.504 -7.256 1.00 10.00 C ATOM 1009 O LYS A 67 1.116 -4.291 -7.501 1.00 10.00 O ATOM 1010 CB LYS A 67 3.654 -6.092 -8.718 1.00 10.00 C ATOM 1011 CG LYS A 67 5.171 -6.286 -8.521 1.00 10.00 C ATOM 1012 CD LYS A 67 5.695 -7.728 -8.626 1.00 10.00 C ATOM 1013 CE LYS A 67 5.108 -8.690 -7.586 1.00 10.00 C ATOM 1014 NZ LYS A 67 3.845 -9.297 -8.033 1.00 10.00 N ATOM 0 H LYS A 67 1.088 -6.827 -8.035 1.00 10.00 H new ATOM 0 HA LYS A 67 3.581 -6.093 -6.589 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.254 -6.951 -9.257 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.488 -5.216 -9.345 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.692 -5.678 -9.261 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.441 -5.895 -7.540 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.475 -8.110 -9.623 1.00 10.00 H new ATOM 0 HD3 LYS A 67 6.780 -7.716 -8.522 1.00 10.00 H new ATOM 0 HE2 LYS A 67 5.831 -9.477 -7.374 1.00 10.00 H new ATOM 0 HE3 LYS A 67 4.939 -8.153 -6.653 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 3.411 -9.816 -7.243 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 3.196 -8.551 -8.355 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 4.034 -9.954 -8.817 1.00 10.00 H new ATOM 1028 N LEU A 68 3.166 -3.560 -6.860 1.00 10.00 N ATOM 1029 CA LEU A 68 2.860 -2.175 -6.560 1.00 10.00 C ATOM 1030 C LEU A 68 3.930 -1.318 -7.231 1.00 10.00 C ATOM 1031 O LEU A 68 5.049 -1.789 -7.449 1.00 10.00 O ATOM 1032 CB LEU A 68 2.847 -1.986 -5.038 1.00 10.00 C ATOM 1033 CG LEU A 68 2.542 -0.571 -4.519 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.772 -0.687 -3.200 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.834 0.208 -4.220 1.00 10.00 C ATOM 0 H LEU A 68 4.157 -3.767 -6.736 1.00 10.00 H new ATOM 0 HA LEU A 68 1.880 -1.881 -6.935 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.109 -2.669 -4.617 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.820 -2.288 -4.650 1.00 10.00 H new ATOM 0 HG LEU A 68 1.970 -0.048 -5.286 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.549 0.310 -2.820 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.841 -1.228 -3.369 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.378 -1.226 -2.471 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.582 1.204 -3.855 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.411 -0.321 -3.462 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.426 0.294 -5.131 1.00 10.00 H new ATOM 1047 N LYS A 69 3.587 -0.070 -7.533 1.00 10.00 N ATOM 1048 CA LYS A 69 4.450 0.962 -8.094 1.00 10.00 C ATOM 1049 C LYS A 69 3.904 2.325 -7.672 1.00 10.00 C ATOM 1050 O LYS A 69 2.836 2.392 -7.081 1.00 10.00 O ATOM 1051 CB LYS A 69 4.502 0.862 -9.627 1.00 10.00 C ATOM 1052 CG LYS A 69 5.395 -0.289 -10.109 1.00 10.00 C ATOM 1053 CD LYS A 69 6.000 0.003 -11.492 1.00 10.00 C ATOM 1054 CE LYS A 69 7.168 1.003 -11.400 1.00 10.00 C ATOM 1055 NZ LYS A 69 7.739 1.323 -12.724 1.00 10.00 N ATOM 0 H LYS A 69 2.637 0.269 -7.382 1.00 10.00 H new ATOM 0 HA LYS A 69 5.466 0.830 -7.721 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.493 0.721 -10.013 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.872 1.802 -10.037 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.196 -0.455 -9.389 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.811 -1.209 -10.154 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.351 -0.927 -11.940 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.229 0.403 -12.150 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.821 1.921 -10.925 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.948 0.589 -10.761 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.521 1.999 -12.611 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.095 0.453 -13.168 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.003 1.743 -13.327 1.00 10.00 H new ATOM 1069 N LEU A 70 4.630 3.403 -7.972 1.00 10.00 N ATOM 1070 CA LEU A 70 4.220 4.775 -7.677 1.00 10.00 C ATOM 1071 C LEU A 70 3.128 5.242 -8.633 1.00 10.00 C ATOM 1072 O LEU A 70 3.062 4.794 -9.777 1.00 10.00 O ATOM 1073 CB LEU A 70 5.457 5.690 -7.662 1.00 10.00 C ATOM 1074 CG LEU A 70 5.228 7.213 -7.712 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.422 7.924 -7.063 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.114 7.743 -9.152 1.00 10.00 C ATOM 0 H LEU A 70 5.537 3.345 -8.436 1.00 10.00 H new ATOM 0 HA LEU A 70 3.774 4.820 -6.684 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.027 5.467 -6.760 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.084 5.418 -8.511 1.00 10.00 H new ATOM 0 HG LEU A 70 4.294 7.410 -7.186 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.265 9.002 -7.096 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.517 7.602 -6.026 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.334 7.673 -7.606 1.00 10.00 H new ATOM 0 HD21 LEU A 70 4.953 8.821 -9.131 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.034 7.524 -9.694 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.274 7.260 -9.652 1.00 10.00 H new ATOM 1088 N LYS A 71 2.285 6.153 -8.143 1.00 10.00 N ATOM 1089 CA LYS A 71 1.131 6.694 -8.853 1.00 10.00 C ATOM 1090 C LYS A 71 0.933 8.187 -8.595 1.00 10.00 C ATOM 1091 O LYS A 71 -0.189 8.682 -8.621 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.118 5.847 -8.543 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.872 5.392 -9.796 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.724 6.507 -10.408 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.201 6.125 -11.815 1.00 10.00 C ATOM 1096 NZ LYS A 71 -2.961 4.857 -11.839 1.00 10.00 N ATOM 0 H LYS A 71 2.393 6.546 -7.208 1.00 10.00 H new ATOM 0 HA LYS A 71 1.318 6.623 -9.925 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.181 4.970 -7.969 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.793 6.426 -7.912 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -0.156 5.038 -10.538 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.513 4.547 -9.543 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.585 6.704 -9.769 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.144 7.429 -10.454 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.826 6.925 -12.211 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.338 6.038 -12.475 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.509 4.798 -12.721 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.300 4.055 -11.787 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.609 4.825 -11.026 1.00 10.00 H new ATOM 1110 N GLY A 72 2.032 8.912 -8.395 1.00 10.00 N ATOM 1111 CA GLY A 72 1.980 10.288 -7.965 1.00 10.00 C ATOM 1112 C GLY A 72 1.729 10.302 -6.464 1.00 10.00 C ATOM 1113 O GLY A 72 1.922 9.290 -5.786 1.00 10.00 O ATOM 0 H GLY A 72 2.977 8.553 -8.529 1.00 10.00 H new ATOM 0 HA2 GLY A 72 2.915 10.796 -8.200 1.00 10.00 H new ATOM 0 HA3 GLY A 72 1.187 10.821 -8.489 1.00 10.00 H new ATOM 1117 N GLU A 73 1.306 11.457 -5.965 1.00 10.00 N ATOM 1118 CA GLU A 73 1.198 11.721 -4.537 1.00 10.00 C ATOM 1119 C GLU A 73 0.098 12.752 -4.281 1.00 10.00 C ATOM 1120 O GLU A 73 0.354 13.940 -4.466 1.00 10.00 O ATOM 1121 CB GLU A 73 2.549 12.241 -3.998 1.00 10.00 C ATOM 1122 CG GLU A 73 3.615 11.159 -3.720 1.00 10.00 C ATOM 1123 CD GLU A 73 4.932 11.379 -4.459 1.00 10.00 C ATOM 1124 OE1 GLU A 73 5.380 12.544 -4.511 1.00 10.00 O ATOM 1125 OE2 GLU A 73 5.482 10.367 -4.947 1.00 10.00 O ATOM 0 H GLU A 73 1.025 12.245 -6.548 1.00 10.00 H new ATOM 0 HA GLU A 73 0.942 10.796 -4.020 1.00 10.00 H new ATOM 0 HB2 GLU A 73 2.957 12.952 -4.716 1.00 10.00 H new ATOM 0 HB3 GLU A 73 2.365 12.790 -3.075 1.00 10.00 H new ATOM 0 HG2 GLU A 73 3.813 11.126 -2.649 1.00 10.00 H new ATOM 0 HG3 GLU A 73 3.212 10.186 -4.000 1.00 10.00 H new ATOM 1132 N GLN A 74 -1.072 12.302 -3.800 1.00 10.00 N ATOM 1133 CA GLN A 74 -2.146 13.070 -3.177 1.00 10.00 C ATOM 1134 C GLN A 74 -3.442 12.980 -3.987 1.00 10.00 C ATOM 1135 O GLN A 74 -3.609 13.701 -4.968 1.00 10.00 O ATOM 1136 CB GLN A 74 -1.763 14.524 -2.831 1.00 10.00 C ATOM 1137 CG GLN A 74 -2.847 15.215 -1.998 1.00 10.00 C ATOM 1138 CD GLN A 74 -2.372 16.539 -1.403 1.00 10.00 C ATOM 1139 OE1 GLN A 74 -1.268 16.640 -0.881 1.00 10.00 O ATOM 1140 NE2 GLN A 74 -3.215 17.568 -1.426 1.00 10.00 N ATOM 0 H GLN A 74 -1.304 11.310 -3.844 1.00 10.00 H new ATOM 0 HA GLN A 74 -2.327 12.598 -2.211 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -0.822 14.531 -2.281 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -1.598 15.085 -3.751 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -3.722 15.394 -2.623 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -3.161 14.550 -1.193 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -4.130 17.468 -1.865 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -2.946 18.457 -1.005 1.00 10.00 H new ATOM 1149 N ASP A 75 -4.388 12.172 -3.492 1.00 10.00 N ATOM 1150 CA ASP A 75 -5.760 12.016 -3.964 1.00 10.00 C ATOM 1151 C ASP A 75 -6.536 13.313 -3.745 1.00 10.00 C ATOM 1152 O ASP A 75 -7.364 13.453 -2.845 1.00 10.00 O ATOM 1153 CB ASP A 75 -6.444 10.834 -3.261 1.00 10.00 C ATOM 1154 CG ASP A 75 -7.884 10.641 -3.733 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -8.211 11.144 -4.832 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -8.642 9.988 -2.984 1.00 10.00 O ATOM 0 H ASP A 75 -4.195 11.568 -2.693 1.00 10.00 H new ATOM 0 HA ASP A 75 -5.745 11.800 -5.032 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -5.876 9.923 -3.449 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -6.435 10.999 -2.184 1.00 10.00 H new ATOM 1161 N SER A 76 -6.184 14.309 -4.547 1.00 10.00 N ATOM 1162 CA SER A 76 -6.797 15.624 -4.567 1.00 10.00 C ATOM 1163 C SER A 76 -6.401 16.346 -5.859 1.00 10.00 C ATOM 1164 O SER A 76 -5.906 17.468 -5.815 1.00 10.00 O ATOM 1165 CB SER A 76 -6.409 16.400 -3.295 1.00 10.00 C ATOM 1166 OG SER A 76 -7.449 17.269 -2.891 1.00 10.00 O ATOM 0 H SER A 76 -5.431 14.215 -5.229 1.00 10.00 H new ATOM 0 HA SER A 76 -7.884 15.544 -4.563 1.00 10.00 H new ATOM 0 HB2 SER A 76 -6.185 15.698 -2.492 1.00 10.00 H new ATOM 0 HB3 SER A 76 -5.501 16.975 -3.479 1.00 10.00 H new ATOM 0 HG SER A 76 -7.178 17.749 -2.080 1.00 10.00 H new ATOM 1172 N ILE A 77 -6.648 15.684 -6.998 1.00 10.00 N ATOM 1173 CA ILE A 77 -6.411 16.172 -8.358 1.00 10.00 C ATOM 1174 C ILE A 77 -4.918 16.080 -8.709 1.00 10.00 C ATOM 1175 O ILE A 77 -4.090 16.735 -8.085 1.00 10.00 O ATOM 1176 CB ILE A 77 -6.994 17.585 -8.592 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -8.497 17.652 -8.250 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -6.794 18.029 -10.048 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -8.839 18.962 -7.537 1.00 10.00 C ATOM 0 H ILE A 77 -7.040 14.742 -6.991 1.00 10.00 H new ATOM 0 HA ILE A 77 -6.952 15.521 -9.045 1.00 10.00 H new ATOM 0 HB ILE A 77 -6.454 18.258 -7.926 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -9.086 17.566 -9.163 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -8.767 16.807 -7.616 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -7.213 19.026 -10.185 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -5.729 18.048 -10.280 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -7.298 17.329 -10.714 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -9.904 18.984 -7.307 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -8.267 19.033 -6.612 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -8.590 19.804 -8.183 1.00 10.00 H new ATOM 1191 N GLU A 78 -4.594 15.270 -9.726 1.00 10.00 N ATOM 1192 CA GLU A 78 -3.242 15.065 -10.237 1.00 10.00 C ATOM 1193 C GLU A 78 -3.303 15.177 -11.769 1.00 10.00 C ATOM 1194 O GLU A 78 -2.829 16.152 -12.346 1.00 10.00 O ATOM 1195 CB GLU A 78 -2.721 13.703 -9.725 1.00 10.00 C ATOM 1196 CG GLU A 78 -1.249 13.394 -10.054 1.00 10.00 C ATOM 1197 CD GLU A 78 -0.269 13.933 -9.008 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -0.007 15.151 -9.074 1.00 10.00 O ATOM 1199 OE2 GLU A 78 0.215 13.118 -8.185 1.00 10.00 O ATOM 0 H GLU A 78 -5.293 14.723 -10.229 1.00 10.00 H new ATOM 0 HA GLU A 78 -2.535 15.816 -9.883 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -2.849 13.667 -8.643 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -3.343 12.913 -10.146 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -1.122 12.315 -10.139 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -1.004 13.822 -11.026 1.00 10.00 H new ATOM 1206 N GLY A 79 -3.953 14.206 -12.426 1.00 10.00 N ATOM 1207 CA GLY A 79 -3.953 14.079 -13.881 1.00 10.00 C ATOM 1208 C GLY A 79 -2.697 13.317 -14.305 1.00 10.00 C ATOM 1209 O GLY A 79 -1.629 13.539 -13.737 1.00 10.00 O ATOM 0 H GLY A 79 -4.496 13.483 -11.954 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -4.846 13.551 -14.214 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -3.973 15.064 -14.347 1.00 10.00 H new ATOM 1213 N ARG A 80 -2.809 12.369 -15.241 1.00 10.00 N ATOM 1214 CA ARG A 80 -1.737 11.421 -15.494 1.00 10.00 C ATOM 1215 C ARG A 80 -1.809 10.917 -16.930 1.00 10.00 C ATOM 1216 O ARG A 80 -2.950 10.839 -17.436 1.00 10.00 O ATOM 1217 CB ARG A 80 -1.865 10.279 -14.470 1.00 10.00 C ATOM 1218 CG ARG A 80 -0.788 9.194 -14.573 1.00 10.00 C ATOM 1219 CD ARG A 80 0.625 9.788 -14.523 1.00 10.00 C ATOM 1220 NE ARG A 80 1.211 9.791 -15.872 1.00 10.00 N ATOM 1221 CZ ARG A 80 2.096 8.894 -16.327 1.00 10.00 C ATOM 1222 NH1 ARG A 80 2.348 7.792 -15.612 1.00 10.00 N ATOM 1223 NH2 ARG A 80 2.722 9.096 -17.492 1.00 10.00 N ATOM 1224 OXT ARG A 80 -0.719 10.622 -17.479 1.00 10.00 O ATOM 0 H ARG A 80 -3.632 12.244 -15.831 1.00 10.00 H new ATOM 0 HA ARG A 80 -0.762 11.893 -15.378 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -1.835 10.705 -13.467 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -2.843 9.812 -14.589 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -0.912 8.481 -13.758 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -0.917 8.641 -15.503 1.00 10.00 H new ATOM 0 HD2 ARG A 80 0.589 10.804 -14.130 1.00 10.00 H new ATOM 0 HD3 ARG A 80 1.250 9.206 -13.846 1.00 10.00 H new ATOM 0 HE ARG A 80 0.922 10.533 -16.510 1.00 10.00 H new ATOM 0 HH11 ARG A 80 1.867 7.638 -14.726 1.00 10.00 H new ATOM 0 HH12 ARG A 80 3.021 7.105 -15.953 1.00 10.00 H new ATOM 0 HH21 ARG A 80 2.526 9.935 -18.037 1.00 10.00 H new ATOM 0 HH22 ARG A 80 3.395 8.411 -17.835 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -7.370 -11.251 -5.504 1.00 10.00 CU