USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=16 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 Single : A 1 MET CE :methyl -174:sc= -0.408 (180deg=-0.491) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.359 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 120:sc= 0.715 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 174:sc= -1.72 (180deg=-1.98) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 19 ASN : amide:sc=-0.00109 K(o=-0.0011,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.71 (180deg=1.62) USER MOD Single : A 33 ASN : amide:sc= 1.1 K(o=1.1,f=-2.2) USER MOD Single : A 37 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.17) 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 93:sc= 1.26 USER MOD Single : A 48 ASN : amide:sc= -0.0299 X(o=-0.03,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -151:sc= 1.14 (180deg=0.905) USER MOD Single : A 63 LYS NZ :NH3+ -123:sc= 0.894 (180deg=-1.33!) USER MOD Single : A 66 TYR OH : rot 148:sc= -0.569! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 125:sc= 1.16 (180deg=0.559) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 76 SER OG : rot 38:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.455 15.947 9.992 1.00 10.00 N ATOM 2 CA MET A 1 -1.388 14.677 9.249 1.00 10.00 C ATOM 3 C MET A 1 0.063 14.533 8.798 1.00 10.00 C ATOM 4 O MET A 1 0.881 15.278 9.336 1.00 10.00 O ATOM 5 CB MET A 1 -2.401 14.668 8.093 1.00 10.00 C ATOM 6 CG MET A 1 -2.994 13.280 7.806 1.00 10.00 C ATOM 7 SD MET A 1 -4.569 12.888 8.627 1.00 10.00 S ATOM 8 CE MET A 1 -4.111 12.891 10.372 1.00 10.00 C ATOM 0 H1 MET A 1 -1.878 15.780 10.927 1.00 10.00 H new ATOM 0 H2 MET A 1 -0.496 16.332 10.109 1.00 10.00 H new ATOM 0 H3 MET A 1 -2.039 16.627 9.465 1.00 10.00 H new ATOM 0 HA MET A 1 -1.665 13.819 9.861 1.00 10.00 H new ATOM 0 HB2 MET A 1 -3.211 15.359 8.326 1.00 10.00 H new ATOM 0 HB3 MET A 1 -1.914 15.039 7.191 1.00 10.00 H new ATOM 0 HG2 MET A 1 -3.137 13.186 6.730 1.00 10.00 H new ATOM 0 HG3 MET A 1 -2.260 12.528 8.097 1.00 10.00 H new ATOM 0 HE1 MET A 1 -4.959 12.561 10.971 1.00 10.00 H new ATOM 0 HE2 MET A 1 -3.271 12.215 10.529 1.00 10.00 H new ATOM 0 HE3 MET A 1 -3.826 13.899 10.672 1.00 10.00 H new ATOM 20 N THR A 2 0.381 13.626 7.874 1.00 10.00 N ATOM 21 CA THR A 2 1.743 13.415 7.410 1.00 10.00 C ATOM 22 C THR A 2 1.866 13.884 5.954 1.00 10.00 C ATOM 23 O THR A 2 1.793 15.085 5.698 1.00 10.00 O ATOM 24 CB THR A 2 2.124 11.955 7.653 1.00 10.00 C ATOM 25 OG1 THR A 2 1.227 11.103 6.974 1.00 10.00 O ATOM 26 CG2 THR A 2 2.094 11.586 9.140 1.00 10.00 C ATOM 0 H THR A 2 -0.305 13.017 7.428 1.00 10.00 H new ATOM 0 HA THR A 2 2.463 14.013 7.968 1.00 10.00 H new ATOM 0 HB THR A 2 3.141 11.830 7.282 1.00 10.00 H new ATOM 0 HG1 THR A 2 1.721 10.557 6.327 1.00 10.00 H new ATOM 0 HG21 THR A 2 2.372 10.539 9.261 1.00 10.00 H new ATOM 0 HG22 THR A 2 2.799 12.214 9.685 1.00 10.00 H new ATOM 0 HG23 THR A 2 1.090 11.742 9.534 1.00 10.00 H new ATOM 34 N GLU A 3 2.002 12.955 5.005 1.00 10.00 N ATOM 35 CA GLU A 3 1.860 13.176 3.582 1.00 10.00 C ATOM 36 C GLU A 3 0.782 12.193 3.135 1.00 10.00 C ATOM 37 O GLU A 3 0.248 11.453 3.958 1.00 10.00 O ATOM 38 CB GLU A 3 3.208 12.978 2.864 1.00 10.00 C ATOM 39 CG GLU A 3 3.637 11.509 2.694 1.00 10.00 C ATOM 40 CD GLU A 3 5.054 11.365 2.144 1.00 10.00 C ATOM 41 OE1 GLU A 3 5.821 12.343 2.273 1.00 10.00 O ATOM 42 OE2 GLU A 3 5.356 10.271 1.620 1.00 10.00 O ATOM 0 H GLU A 3 2.225 11.985 5.229 1.00 10.00 H new ATOM 0 HA GLU A 3 1.566 14.196 3.335 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.151 13.442 1.879 1.00 10.00 H new ATOM 0 HB3 GLU A 3 3.982 13.506 3.421 1.00 10.00 H new ATOM 0 HG2 GLU A 3 3.573 11.003 3.657 1.00 10.00 H new ATOM 0 HG3 GLU A 3 2.939 11.007 2.024 1.00 10.00 H new ATOM 49 N LYS A 4 0.477 12.190 1.844 1.00 10.00 N ATOM 50 CA LYS A 4 -0.320 11.177 1.187 1.00 10.00 C ATOM 51 C LYS A 4 0.519 10.694 0.020 1.00 10.00 C ATOM 52 O LYS A 4 1.228 11.503 -0.578 1.00 10.00 O ATOM 53 CB LYS A 4 -1.630 11.758 0.654 1.00 10.00 C ATOM 54 CG LYS A 4 -2.357 12.615 1.691 1.00 10.00 C ATOM 55 CD LYS A 4 -2.026 14.098 1.491 1.00 10.00 C ATOM 56 CE LYS A 4 -2.104 14.830 2.833 1.00 10.00 C ATOM 57 NZ LYS A 4 -1.855 16.274 2.665 1.00 10.00 N ATOM 0 H LYS A 4 0.792 12.922 1.207 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.579 10.379 1.883 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.423 12.361 -0.230 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -2.283 10.944 0.339 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -3.433 12.462 1.607 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -2.068 12.304 2.695 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -1.028 14.204 1.066 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -2.723 14.544 0.782 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.087 14.677 3.278 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -1.373 14.410 3.523 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -1.914 16.746 3.590 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -0.907 16.418 2.262 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -2.568 16.677 2.024 1.00 10.00 H new ATOM 71 N ALA A 5 0.437 9.407 -0.295 1.00 10.00 N ATOM 72 CA ALA A 5 1.152 8.824 -1.405 1.00 10.00 C ATOM 73 C ALA A 5 0.238 7.844 -2.109 1.00 10.00 C ATOM 74 O ALA A 5 -0.489 7.112 -1.440 1.00 10.00 O ATOM 75 CB ALA A 5 2.399 8.141 -0.864 1.00 10.00 C ATOM 0 H ALA A 5 -0.135 8.739 0.222 1.00 10.00 H new ATOM 0 HA ALA A 5 1.458 9.582 -2.127 1.00 10.00 H new ATOM 0 HB1 ALA A 5 2.955 7.693 -1.688 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.027 8.876 -0.360 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.110 7.364 -0.156 1.00 10.00 H new ATOM 81 N GLU A 6 0.253 7.846 -3.442 1.00 10.00 N ATOM 82 CA GLU A 6 -0.636 7.044 -4.237 1.00 10.00 C ATOM 83 C GLU A 6 0.270 6.040 -4.913 1.00 10.00 C ATOM 84 O GLU A 6 1.258 6.432 -5.541 1.00 10.00 O ATOM 85 CB GLU A 6 -1.349 7.906 -5.282 1.00 10.00 C ATOM 86 CG GLU A 6 -2.830 8.157 -4.982 1.00 10.00 C ATOM 87 CD GLU A 6 -3.552 8.648 -6.236 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.519 7.893 -7.235 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.112 9.762 -6.188 1.00 10.00 O ATOM 0 H GLU A 6 0.895 8.416 -3.993 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.415 6.570 -3.640 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -0.837 8.865 -5.356 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -1.263 7.423 -6.255 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -3.295 7.239 -4.623 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.926 8.896 -4.186 1.00 10.00 H new ATOM 96 N PHE A 7 -0.063 4.763 -4.764 1.00 10.00 N ATOM 97 CA PHE A 7 0.593 3.664 -5.421 1.00 10.00 C ATOM 98 C PHE A 7 -0.449 2.866 -6.187 1.00 10.00 C ATOM 99 O PHE A 7 -1.601 2.782 -5.769 1.00 10.00 O ATOM 100 CB PHE A 7 1.268 2.761 -4.400 1.00 10.00 C ATOM 101 CG PHE A 7 1.923 3.431 -3.212 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.737 4.563 -3.390 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.808 2.854 -1.936 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.340 5.181 -2.287 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.467 3.436 -0.844 1.00 10.00 C ATOM 106 CZ PHE A 7 3.205 4.619 -1.007 1.00 10.00 C ATOM 0 H PHE A 7 -0.827 4.465 -4.157 1.00 10.00 H new ATOM 0 HA PHE A 7 1.353 4.050 -6.100 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.523 2.060 -4.024 1.00 10.00 H new ATOM 0 HB3 PHE A 7 2.026 2.174 -4.917 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.898 4.958 -4.382 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.213 1.964 -1.797 1.00 10.00 H new ATOM 0 HE1 PHE A 7 3.909 6.089 -2.421 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.407 2.971 0.129 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.666 5.094 -0.154 1.00 10.00 H new ATOM 116 N ASP A 8 0.006 2.274 -7.282 1.00 10.00 N ATOM 117 CA ASP A 8 -0.721 1.592 -8.330 1.00 10.00 C ATOM 118 C ASP A 8 -0.413 0.119 -8.152 1.00 10.00 C ATOM 119 O ASP A 8 0.762 -0.233 -8.001 1.00 10.00 O ATOM 120 CB ASP A 8 -0.173 2.199 -9.621 1.00 10.00 C ATOM 121 CG ASP A 8 -0.436 1.511 -10.947 1.00 10.00 C ATOM 122 OD1 ASP A 8 -0.666 0.289 -10.956 1.00 10.00 O ATOM 123 OD2 ASP A 8 -0.321 2.255 -11.952 1.00 10.00 O ATOM 0 H ASP A 8 1.008 2.262 -7.474 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.806 1.697 -8.327 1.00 10.00 H new ATOM 0 HB2 ASP A 8 -0.567 3.213 -9.697 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.908 2.284 -9.507 1.00 10.00 H new ATOM 128 N ILE A 9 -1.459 -0.701 -8.032 1.00 10.00 N ATOM 129 CA ILE A 9 -1.319 -2.125 -7.748 1.00 10.00 C ATOM 130 C ILE A 9 -1.895 -2.931 -8.903 1.00 10.00 C ATOM 131 O ILE A 9 -2.937 -2.569 -9.438 1.00 10.00 O ATOM 132 CB ILE A 9 -1.970 -2.509 -6.403 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.619 -1.510 -5.292 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.485 -3.887 -5.943 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.726 -0.474 -5.152 1.00 10.00 C ATOM 0 H ILE A 9 -2.427 -0.393 -8.130 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.259 -2.359 -7.651 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.047 -2.509 -6.573 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -1.482 -2.037 -4.348 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.675 -1.016 -5.521 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -1.955 -4.140 -4.993 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.752 -4.635 -6.690 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.402 -3.869 -5.818 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.467 0.230 -4.361 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -2.842 0.064 -6.093 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -3.662 -0.973 -4.901 1.00 10.00 H new ATOM 147 N GLU A 10 -1.224 -4.030 -9.256 1.00 10.00 N ATOM 148 CA GLU A 10 -1.724 -5.014 -10.199 1.00 10.00 C ATOM 149 C GLU A 10 -2.012 -6.312 -9.457 1.00 10.00 C ATOM 150 O GLU A 10 -1.114 -6.891 -8.845 1.00 10.00 O ATOM 151 CB GLU A 10 -0.661 -5.348 -11.241 1.00 10.00 C ATOM 152 CG GLU A 10 -0.453 -4.265 -12.302 1.00 10.00 C ATOM 153 CD GLU A 10 0.623 -4.698 -13.289 1.00 10.00 C ATOM 154 OE1 GLU A 10 0.248 -5.344 -14.291 1.00 10.00 O ATOM 155 OE2 GLU A 10 1.811 -4.418 -13.008 1.00 10.00 O ATOM 0 H GLU A 10 -0.302 -4.258 -8.884 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.615 -4.602 -10.674 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.286 -5.527 -10.732 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.936 -6.278 -11.738 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.388 -4.078 -12.830 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.164 -3.329 -11.825 1.00 10.00 H new ATOM 162 N GLY A 11 -3.234 -6.803 -9.614 1.00 10.00 N ATOM 163 CA GLY A 11 -3.626 -8.173 -9.320 1.00 10.00 C ATOM 164 C GLY A 11 -4.598 -8.271 -8.153 1.00 10.00 C ATOM 165 O GLY A 11 -4.981 -9.377 -7.772 1.00 10.00 O ATOM 0 H GLY A 11 -4.007 -6.236 -9.963 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -4.084 -8.613 -10.206 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.736 -8.761 -9.096 1.00 10.00 H new ATOM 169 N MET A 12 -5.011 -7.143 -7.570 1.00 10.00 N ATOM 170 CA MET A 12 -5.877 -7.177 -6.400 1.00 10.00 C ATOM 171 C MET A 12 -7.338 -7.323 -6.819 1.00 10.00 C ATOM 172 O MET A 12 -8.194 -6.511 -6.480 1.00 10.00 O ATOM 173 CB MET A 12 -5.634 -5.952 -5.529 1.00 10.00 C ATOM 174 CG MET A 12 -5.746 -4.652 -6.332 1.00 10.00 C ATOM 175 SD MET A 12 -6.179 -3.209 -5.343 1.00 10.00 S ATOM 176 CE MET A 12 -4.922 -3.428 -4.082 1.00 10.00 C ATOM 0 H MET A 12 -4.761 -6.207 -7.888 1.00 10.00 H new ATOM 0 HA MET A 12 -5.635 -8.051 -5.796 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.355 -5.938 -4.712 1.00 10.00 H new ATOM 0 HB3 MET A 12 -4.644 -6.017 -5.079 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.796 -4.464 -6.832 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.496 -4.783 -7.112 1.00 10.00 H new ATOM 0 HE1 MET A 12 -4.933 -2.573 -3.405 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.126 -4.339 -3.519 1.00 10.00 H new ATOM 0 HE3 MET A 12 -3.943 -3.505 -4.554 1.00 10.00 H new ATOM 186 N THR A 13 -7.632 -8.396 -7.542 1.00 10.00 N ATOM 187 CA THR A 13 -8.947 -8.647 -8.100 1.00 10.00 C ATOM 188 C THR A 13 -9.924 -9.025 -6.987 1.00 10.00 C ATOM 189 O THR A 13 -11.137 -8.952 -7.184 1.00 10.00 O ATOM 190 CB THR A 13 -8.840 -9.739 -9.176 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.605 -9.610 -9.855 1.00 10.00 O ATOM 192 CG2 THR A 13 -9.974 -9.615 -10.199 1.00 10.00 C ATOM 0 H THR A 13 -6.951 -9.124 -7.758 1.00 10.00 H new ATOM 0 HA THR A 13 -9.334 -7.745 -8.574 1.00 10.00 H new ATOM 0 HB THR A 13 -8.909 -10.709 -8.684 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.534 -10.307 -10.541 1.00 10.00 H new ATOM 0 HG21 THR A 13 -9.875 -10.400 -10.949 1.00 10.00 H new ATOM 0 HG22 THR A 13 -10.934 -9.717 -9.692 1.00 10.00 H new ATOM 0 HG23 THR A 13 -9.921 -8.640 -10.684 1.00 10.00 H new ATOM 200 N CYS A 14 -9.402 -9.424 -5.823 1.00 10.00 N ATOM 201 CA CYS A 14 -10.185 -9.843 -4.684 1.00 10.00 C ATOM 202 C CYS A 14 -10.259 -8.701 -3.666 1.00 10.00 C ATOM 203 O CYS A 14 -9.232 -8.153 -3.270 1.00 10.00 O ATOM 204 CB CYS A 14 -9.566 -11.106 -4.067 1.00 10.00 C ATOM 205 SG CYS A 14 -8.521 -12.113 -5.161 1.00 10.00 S ATOM 0 H CYS A 14 -8.397 -9.461 -5.655 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.200 -10.085 -4.998 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -8.970 -10.808 -3.205 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.374 -11.735 -3.693 1.00 10.00 H new ATOM 210 N ALA A 15 -11.453 -8.377 -3.163 1.00 10.00 N ATOM 211 CA ALA A 15 -11.592 -7.431 -2.055 1.00 10.00 C ATOM 212 C ALA A 15 -10.653 -7.806 -0.899 1.00 10.00 C ATOM 213 O ALA A 15 -10.047 -6.949 -0.258 1.00 10.00 O ATOM 214 CB ALA A 15 -13.050 -7.394 -1.591 1.00 10.00 C ATOM 0 H ALA A 15 -12.336 -8.756 -3.506 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.309 -6.436 -2.398 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -13.151 -6.689 -0.766 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.687 -7.079 -2.418 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.351 -8.387 -1.259 1.00 10.00 H new ATOM 220 N ALA A 16 -10.508 -9.112 -0.659 1.00 10.00 N ATOM 221 CA ALA A 16 -9.574 -9.666 0.305 1.00 10.00 C ATOM 222 C ALA A 16 -8.129 -9.222 0.039 1.00 10.00 C ATOM 223 O ALA A 16 -7.408 -8.910 0.987 1.00 10.00 O ATOM 224 CB ALA A 16 -9.691 -11.191 0.284 1.00 10.00 C ATOM 0 H ALA A 16 -11.053 -9.824 -1.145 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.832 -9.287 1.294 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -8.994 -11.619 1.004 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.708 -11.482 0.546 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.454 -11.560 -0.714 1.00 10.00 H new ATOM 230 N CYS A 17 -7.699 -9.214 -1.229 1.00 10.00 N ATOM 231 CA CYS A 17 -6.357 -8.812 -1.629 1.00 10.00 C ATOM 232 C CYS A 17 -6.158 -7.356 -1.250 1.00 10.00 C ATOM 233 O CYS A 17 -5.186 -7.004 -0.580 1.00 10.00 O ATOM 234 CB CYS A 17 -6.183 -8.999 -3.141 1.00 10.00 C ATOM 235 SG CYS A 17 -6.227 -10.738 -3.644 1.00 10.00 S ATOM 0 H CYS A 17 -8.288 -9.492 -2.014 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.614 -9.428 -1.122 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.970 -8.455 -3.663 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.234 -8.560 -3.450 1.00 10.00 H new ATOM 240 N ALA A 18 -7.107 -6.520 -1.663 1.00 10.00 N ATOM 241 CA ALA A 18 -7.089 -5.110 -1.336 1.00 10.00 C ATOM 242 C ALA A 18 -7.005 -4.905 0.175 1.00 10.00 C ATOM 243 O ALA A 18 -6.114 -4.213 0.656 1.00 10.00 O ATOM 244 CB ALA A 18 -8.299 -4.440 -1.978 1.00 10.00 C ATOM 0 H ALA A 18 -7.904 -6.806 -2.231 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.197 -4.634 -1.743 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.296 -3.377 -1.738 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.255 -4.568 -3.060 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.213 -4.895 -1.596 1.00 10.00 H new ATOM 250 N ASN A 19 -7.880 -5.548 0.949 1.00 10.00 N ATOM 251 CA ASN A 19 -7.840 -5.419 2.402 1.00 10.00 C ATOM 252 C ASN A 19 -6.484 -5.877 2.969 1.00 10.00 C ATOM 253 O ASN A 19 -5.965 -5.303 3.928 1.00 10.00 O ATOM 254 CB ASN A 19 -9.014 -6.187 3.022 1.00 10.00 C ATOM 255 CG ASN A 19 -9.298 -5.774 4.466 1.00 10.00 C ATOM 256 OD1 ASN A 19 -8.699 -4.851 5.005 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.241 -6.451 5.115 1.00 10.00 N ATOM 0 H ASN A 19 -8.618 -6.158 0.596 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.944 -4.367 2.667 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.908 -6.023 2.420 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.800 -7.255 2.990 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.475 -6.205 6.077 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -10.730 -7.217 4.651 1.00 10.00 H new ATOM 264 N ARG A 20 -5.874 -6.903 2.360 1.00 10.00 N ATOM 265 CA ARG A 20 -4.562 -7.385 2.753 1.00 10.00 C ATOM 266 C ARG A 20 -3.512 -6.277 2.631 1.00 10.00 C ATOM 267 O ARG A 20 -2.588 -6.239 3.446 1.00 10.00 O ATOM 268 CB ARG A 20 -4.172 -8.619 1.921 1.00 10.00 C ATOM 269 CG ARG A 20 -4.078 -9.905 2.752 1.00 10.00 C ATOM 270 CD ARG A 20 -5.473 -10.500 2.970 1.00 10.00 C ATOM 271 NE ARG A 20 -5.415 -11.712 3.805 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.373 -12.652 3.861 1.00 10.00 C ATOM 273 NH1 ARG A 20 -7.486 -12.512 3.135 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.216 -13.726 4.646 1.00 10.00 N ATOM 0 H ARG A 20 -6.285 -7.417 1.581 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.604 -7.683 3.801 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.906 -8.760 1.127 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.212 -8.435 1.439 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.442 -10.629 2.243 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.612 -9.691 3.714 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -6.116 -9.759 3.445 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -5.922 -10.741 2.007 1.00 10.00 H new ATOM 0 HE ARG A 20 -4.586 -11.848 4.384 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -7.607 -11.693 2.540 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -8.215 -13.225 3.176 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.368 -13.831 5.203 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -6.945 -14.439 4.687 1.00 10.00 H new ATOM 288 N ILE A 21 -3.649 -5.378 1.645 1.00 10.00 N ATOM 289 CA ILE A 21 -2.749 -4.232 1.508 1.00 10.00 C ATOM 290 C ILE A 21 -2.734 -3.479 2.831 1.00 10.00 C ATOM 291 O ILE A 21 -1.681 -3.332 3.446 1.00 10.00 O ATOM 292 CB ILE A 21 -3.171 -3.265 0.383 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.249 -3.913 -0.995 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.292 -2.013 0.323 1.00 10.00 C ATOM 295 CD1 ILE A 21 -1.903 -4.022 -1.714 1.00 10.00 C ATOM 0 H ILE A 21 -4.377 -5.426 0.932 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.762 -4.612 1.246 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.184 -2.967 0.654 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.675 -4.911 -0.891 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.935 -3.337 -1.617 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.633 -1.367 -0.486 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.359 -1.476 1.269 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.257 -2.303 0.144 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.047 -4.494 -2.686 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.483 -3.026 -1.853 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.219 -4.624 -1.116 1.00 10.00 H new ATOM 307 N GLU A 22 -3.908 -3.023 3.274 1.00 10.00 N ATOM 308 CA GLU A 22 -4.035 -2.245 4.493 1.00 10.00 C ATOM 309 C GLU A 22 -3.469 -3.030 5.668 1.00 10.00 C ATOM 310 O GLU A 22 -2.699 -2.496 6.467 1.00 10.00 O ATOM 311 CB GLU A 22 -5.498 -1.868 4.741 1.00 10.00 C ATOM 312 CG GLU A 22 -6.111 -1.201 3.504 1.00 10.00 C ATOM 313 CD GLU A 22 -7.277 -0.270 3.827 1.00 10.00 C ATOM 314 OE1 GLU A 22 -7.368 0.185 4.987 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.055 -0.008 2.886 1.00 10.00 O ATOM 0 H GLU A 22 -4.792 -3.186 2.793 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.466 -1.322 4.385 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.069 -2.760 4.998 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.564 -1.192 5.593 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.337 -0.634 2.986 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.454 -1.974 2.817 1.00 10.00 H new ATOM 322 N LYS A 23 -3.841 -4.306 5.759 1.00 10.00 N ATOM 323 CA LYS A 23 -3.388 -5.199 6.810 1.00 10.00 C ATOM 324 C LYS A 23 -1.858 -5.234 6.884 1.00 10.00 C ATOM 325 O LYS A 23 -1.294 -5.148 7.975 1.00 10.00 O ATOM 326 CB LYS A 23 -4.014 -6.592 6.603 1.00 10.00 C ATOM 327 CG LYS A 23 -4.727 -7.095 7.865 1.00 10.00 C ATOM 328 CD LYS A 23 -3.737 -7.707 8.874 1.00 10.00 C ATOM 329 CE LYS A 23 -3.793 -9.243 8.867 1.00 10.00 C ATOM 330 NZ LYS A 23 -4.949 -9.762 9.631 1.00 10.00 N ATOM 0 H LYS A 23 -4.474 -4.749 5.093 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.723 -4.827 7.778 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.724 -6.551 5.777 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.236 -7.301 6.319 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.261 -6.269 8.335 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.473 -7.841 7.589 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -2.725 -7.379 8.636 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -3.964 -7.339 9.875 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.850 -9.598 7.838 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.871 -9.641 9.291 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.947 -10.802 9.600 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.882 -9.445 10.619 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.831 -9.404 9.212 1.00 10.00 H new ATOM 344 N ARG A 24 -1.176 -5.361 5.743 1.00 10.00 N ATOM 345 CA ARG A 24 0.282 -5.352 5.738 1.00 10.00 C ATOM 346 C ARG A 24 0.816 -3.956 6.047 1.00 10.00 C ATOM 347 O ARG A 24 1.713 -3.824 6.876 1.00 10.00 O ATOM 348 CB ARG A 24 0.853 -5.886 4.419 1.00 10.00 C ATOM 349 CG ARG A 24 2.178 -6.627 4.646 1.00 10.00 C ATOM 350 CD ARG A 24 1.932 -8.068 5.109 1.00 10.00 C ATOM 351 NE ARG A 24 3.191 -8.795 5.331 1.00 10.00 N ATOM 352 CZ ARG A 24 3.260 -10.105 5.622 1.00 10.00 C ATOM 353 NH1 ARG A 24 2.137 -10.828 5.702 1.00 10.00 N ATOM 354 NH2 ARG A 24 4.445 -10.685 5.840 1.00 10.00 N ATOM 0 H ARG A 24 -1.606 -5.470 4.824 1.00 10.00 H new ATOM 0 HA ARG A 24 0.616 -6.027 6.526 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.132 -6.559 3.954 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.010 -5.059 3.727 1.00 10.00 H new ATOM 0 HG2 ARG A 24 2.758 -6.632 3.723 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.771 -6.098 5.392 1.00 10.00 H new ATOM 0 HD2 ARG A 24 1.351 -8.059 6.031 1.00 10.00 H new ATOM 0 HD3 ARG A 24 1.337 -8.593 4.362 1.00 10.00 H new ATOM 0 HE ARG A 24 4.065 -8.273 5.260 1.00 10.00 H new ATOM 0 HH11 ARG A 24 1.232 -10.384 5.542 1.00 10.00 H new ATOM 0 HH12 ARG A 24 2.185 -11.823 5.923 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.301 -10.133 5.786 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.493 -11.680 6.061 1.00 10.00 H new ATOM 368 N LEU A 25 0.280 -2.918 5.400 1.00 10.00 N ATOM 369 CA LEU A 25 0.751 -1.553 5.625 1.00 10.00 C ATOM 370 C LEU A 25 0.674 -1.179 7.105 1.00 10.00 C ATOM 371 O LEU A 25 1.608 -0.594 7.640 1.00 10.00 O ATOM 372 CB LEU A 25 -0.028 -0.550 4.771 1.00 10.00 C ATOM 373 CG LEU A 25 0.286 -0.666 3.271 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.696 0.224 2.514 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.705 -0.200 2.928 1.00 10.00 C ATOM 0 H LEU A 25 -0.476 -2.998 4.720 1.00 10.00 H new ATOM 0 HA LEU A 25 1.797 -1.513 5.321 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.096 -0.702 4.926 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.202 0.461 5.107 1.00 10.00 H new ATOM 0 HG LEU A 25 0.201 -1.716 2.992 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.495 0.160 1.445 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.715 -0.108 2.712 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.580 1.256 2.844 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.873 -0.304 1.856 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.824 0.845 3.215 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.429 -0.809 3.469 1.00 10.00 H new ATOM 387 N ASN A 26 -0.407 -1.565 7.783 1.00 10.00 N ATOM 388 CA ASN A 26 -0.562 -1.390 9.225 1.00 10.00 C ATOM 389 C ASN A 26 0.602 -2.008 10.003 1.00 10.00 C ATOM 390 O ASN A 26 0.992 -1.499 11.051 1.00 10.00 O ATOM 391 CB ASN A 26 -1.876 -2.031 9.688 1.00 10.00 C ATOM 392 CG ASN A 26 -3.036 -1.041 9.661 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.446 -0.528 10.696 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.582 -0.769 8.480 1.00 10.00 N ATOM 0 H ASN A 26 -1.209 -2.013 7.340 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.573 -0.319 9.426 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.110 -2.881 9.047 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.754 -2.418 10.699 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.364 -0.117 8.418 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.219 -1.212 7.636 1.00 10.00 H new ATOM 401 N LYS A 27 1.140 -3.127 9.516 1.00 10.00 N ATOM 402 CA LYS A 27 2.295 -3.776 10.121 1.00 10.00 C ATOM 403 C LYS A 27 3.554 -2.902 9.979 1.00 10.00 C ATOM 404 O LYS A 27 4.501 -3.077 10.743 1.00 10.00 O ATOM 405 CB LYS A 27 2.483 -5.184 9.520 1.00 10.00 C ATOM 406 CG LYS A 27 2.967 -6.274 10.499 1.00 10.00 C ATOM 407 CD LYS A 27 4.412 -6.105 11.007 1.00 10.00 C ATOM 408 CE LYS A 27 4.518 -5.440 12.398 1.00 10.00 C ATOM 409 NZ LYS A 27 5.713 -4.574 12.499 1.00 10.00 N ATOM 0 H LYS A 27 0.784 -3.607 8.689 1.00 10.00 H new ATOM 0 HA LYS A 27 2.120 -3.896 11.190 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.534 -5.504 9.090 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.198 -5.116 8.700 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.297 -6.292 11.358 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.882 -7.244 10.009 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.889 -7.085 11.047 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.971 -5.508 10.287 1.00 10.00 H new ATOM 0 HE2 LYS A 27 3.622 -4.848 12.588 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.560 -6.211 13.168 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 5.742 -4.131 13.440 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.570 -5.147 12.359 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 5.668 -3.834 11.770 1.00 10.00 H new ATOM 423 N ILE A 28 3.611 -1.979 9.015 1.00 10.00 N ATOM 424 CA ILE A 28 4.735 -1.058 8.898 1.00 10.00 C ATOM 425 C ILE A 28 4.526 0.103 9.867 1.00 10.00 C ATOM 426 O ILE A 28 3.419 0.609 10.044 1.00 10.00 O ATOM 427 CB ILE A 28 4.928 -0.570 7.455 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.874 -1.677 6.405 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.191 0.297 7.323 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.934 -2.717 6.697 1.00 10.00 C ATOM 0 H ILE A 28 2.889 -1.853 8.306 1.00 10.00 H new ATOM 0 HA ILE A 28 5.653 -1.582 9.162 1.00 10.00 H new ATOM 0 HB ILE A 28 4.063 0.057 7.237 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.888 -2.141 6.404 1.00 10.00 H new ATOM 0 HG13 ILE A 28 5.029 -1.256 5.412 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.300 0.627 6.290 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.105 1.167 7.974 1.00 10.00 H new ATOM 0 HG23 ILE A 28 7.065 -0.287 7.611 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.889 -3.504 5.944 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.918 -2.249 6.675 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.759 -3.148 7.683 1.00 10.00 H new ATOM 442 N GLU A 29 5.615 0.497 10.517 1.00 10.00 N ATOM 443 CA GLU A 29 5.612 1.376 11.664 1.00 10.00 C ATOM 444 C GLU A 29 5.955 2.783 11.156 1.00 10.00 C ATOM 445 O GLU A 29 6.810 2.938 10.286 1.00 10.00 O ATOM 446 CB GLU A 29 6.552 0.752 12.717 1.00 10.00 C ATOM 447 CG GLU A 29 6.090 -0.709 12.956 1.00 10.00 C ATOM 448 CD GLU A 29 6.861 -1.503 14.001 1.00 10.00 C ATOM 449 OE1 GLU A 29 7.631 -0.887 14.763 1.00 10.00 O ATOM 450 OE2 GLU A 29 6.645 -2.740 14.003 1.00 10.00 O ATOM 0 H GLU A 29 6.552 0.199 10.245 1.00 10.00 H new ATOM 0 HA GLU A 29 4.654 1.486 12.172 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.585 0.774 12.369 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.517 1.321 13.646 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.040 -0.691 13.247 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.149 -1.245 12.009 1.00 10.00 H new ATOM 457 N GLY A 30 5.201 3.795 11.602 1.00 10.00 N ATOM 458 CA GLY A 30 5.263 5.149 11.058 1.00 10.00 C ATOM 459 C GLY A 30 4.275 5.388 9.906 1.00 10.00 C ATOM 460 O GLY A 30 4.313 6.448 9.273 1.00 10.00 O ATOM 0 H GLY A 30 4.525 3.692 12.359 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.059 5.863 11.856 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.276 5.345 10.705 1.00 10.00 H new ATOM 464 N VAL A 31 3.368 4.435 9.651 1.00 10.00 N ATOM 465 CA VAL A 31 2.224 4.629 8.768 1.00 10.00 C ATOM 466 C VAL A 31 1.093 5.276 9.573 1.00 10.00 C ATOM 467 O VAL A 31 0.858 4.900 10.720 1.00 10.00 O ATOM 468 CB VAL A 31 1.803 3.289 8.139 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.590 3.451 7.211 1.00 10.00 C ATOM 470 CG2 VAL A 31 2.962 2.709 7.320 1.00 10.00 C ATOM 0 H VAL A 31 3.414 3.501 10.059 1.00 10.00 H new ATOM 0 HA VAL A 31 2.484 5.293 7.943 1.00 10.00 H new ATOM 0 HB VAL A 31 1.535 2.619 8.956 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.324 2.483 6.787 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.254 3.842 7.780 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.837 4.144 6.407 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.656 1.761 6.878 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.234 3.407 6.528 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.821 2.546 7.970 1.00 10.00 H new ATOM 480 N ALA A 32 0.409 6.257 8.979 1.00 10.00 N ATOM 481 CA ALA A 32 -0.732 6.936 9.574 1.00 10.00 C ATOM 482 C ALA A 32 -2.025 6.215 9.191 1.00 10.00 C ATOM 483 O ALA A 32 -2.848 5.941 10.060 1.00 10.00 O ATOM 484 CB ALA A 32 -0.760 8.405 9.140 1.00 10.00 C ATOM 0 H ALA A 32 0.643 6.605 8.049 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.640 6.912 10.660 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.619 8.902 9.592 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.157 8.898 9.464 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.838 8.462 8.054 1.00 10.00 H new ATOM 490 N ASN A 33 -2.220 5.918 7.900 1.00 10.00 N ATOM 491 CA ASN A 33 -3.384 5.184 7.403 1.00 10.00 C ATOM 492 C ASN A 33 -3.145 4.846 5.933 1.00 10.00 C ATOM 493 O ASN A 33 -2.112 5.219 5.382 1.00 10.00 O ATOM 494 CB ASN A 33 -4.697 5.963 7.597 1.00 10.00 C ATOM 495 CG ASN A 33 -4.690 7.281 6.839 1.00 10.00 C ATOM 496 OD1 ASN A 33 -4.994 7.311 5.651 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.335 8.361 7.526 1.00 10.00 N ATOM 0 H ASN A 33 -1.565 6.185 7.165 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.499 4.268 7.982 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.535 5.353 7.258 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -4.852 6.155 8.659 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.306 9.271 7.066 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.092 8.280 8.513 1.00 10.00 H new ATOM 504 N ALA A 34 -4.067 4.111 5.307 1.00 10.00 N ATOM 505 CA ALA A 34 -3.879 3.581 3.964 1.00 10.00 C ATOM 506 C ALA A 34 -5.153 3.017 3.323 1.00 10.00 C ATOM 507 O ALA A 34 -5.139 1.860 2.913 1.00 10.00 O ATOM 508 CB ALA A 34 -2.790 2.503 4.000 1.00 10.00 C ATOM 0 H ALA A 34 -4.966 3.869 5.723 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.583 4.421 3.336 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.643 2.101 2.998 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.857 2.940 4.356 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -3.094 1.701 4.672 1.00 10.00 H new ATOM 514 N PRO A 35 -6.236 3.795 3.180 1.00 10.00 N ATOM 515 CA PRO A 35 -7.443 3.315 2.524 1.00 10.00 C ATOM 516 C PRO A 35 -7.156 2.866 1.081 1.00 10.00 C ATOM 517 O PRO A 35 -6.661 3.646 0.260 1.00 10.00 O ATOM 518 CB PRO A 35 -8.444 4.472 2.603 1.00 10.00 C ATOM 519 CG PRO A 35 -7.560 5.711 2.758 1.00 10.00 C ATOM 520 CD PRO A 35 -6.378 5.187 3.575 1.00 10.00 C ATOM 0 HA PRO A 35 -7.848 2.428 3.011 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.060 4.530 1.705 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.123 4.357 3.448 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.241 6.103 1.792 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.082 6.518 3.273 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.470 5.752 3.363 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.567 5.277 4.645 1.00 10.00 H new ATOM 528 N VAL A 36 -7.460 1.602 0.771 1.00 10.00 N ATOM 529 CA VAL A 36 -7.338 1.036 -0.562 1.00 10.00 C ATOM 530 C VAL A 36 -8.527 1.453 -1.434 1.00 10.00 C ATOM 531 O VAL A 36 -9.670 1.463 -0.979 1.00 10.00 O ATOM 532 CB VAL A 36 -7.160 -0.486 -0.450 1.00 10.00 C ATOM 533 CG1 VAL A 36 -8.465 -1.209 -0.089 1.00 10.00 C ATOM 534 CG2 VAL A 36 -6.582 -1.064 -1.743 1.00 10.00 C ATOM 0 H VAL A 36 -7.805 0.934 1.461 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.453 1.427 -1.063 1.00 10.00 H new ATOM 0 HB VAL A 36 -6.457 -0.655 0.366 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -8.281 -2.281 -0.023 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -8.830 -0.844 0.871 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -9.213 -1.016 -0.858 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -6.465 -2.143 -1.639 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -7.258 -0.850 -2.571 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.610 -0.611 -1.942 1.00 10.00 H new ATOM 544 N ASN A 37 -8.264 1.808 -2.695 1.00 10.00 N ATOM 545 CA ASN A 37 -9.261 2.347 -3.608 1.00 10.00 C ATOM 546 C ASN A 37 -9.593 1.302 -4.678 1.00 10.00 C ATOM 547 O ASN A 37 -9.016 1.287 -5.773 1.00 10.00 O ATOM 548 CB ASN A 37 -8.748 3.676 -4.173 1.00 10.00 C ATOM 549 CG ASN A 37 -9.770 4.327 -5.091 1.00 10.00 C ATOM 550 OD1 ASN A 37 -10.453 5.276 -4.727 1.00 10.00 O ATOM 551 ND2 ASN A 37 -9.876 3.804 -6.303 1.00 10.00 N ATOM 0 H ASN A 37 -7.336 1.725 -3.111 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.198 2.563 -3.095 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -8.512 4.354 -3.353 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.822 3.505 -4.722 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.544 4.192 -6.969 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.290 3.013 -6.570 1.00 10.00 H new ATOM 558 N PHE A 38 -10.553 0.428 -4.352 1.00 10.00 N ATOM 559 CA PHE A 38 -10.997 -0.669 -5.205 1.00 10.00 C ATOM 560 C PHE A 38 -11.827 -0.150 -6.383 1.00 10.00 C ATOM 561 O PHE A 38 -13.047 -0.294 -6.419 1.00 10.00 O ATOM 562 CB PHE A 38 -11.772 -1.700 -4.372 1.00 10.00 C ATOM 563 CG PHE A 38 -11.729 -3.107 -4.942 1.00 10.00 C ATOM 564 CD1 PHE A 38 -12.458 -3.450 -6.097 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.848 -4.045 -4.377 1.00 10.00 C ATOM 566 CE1 PHE A 38 -12.266 -4.702 -6.706 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.650 -5.293 -4.987 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.357 -5.619 -6.154 1.00 10.00 C ATOM 0 H PHE A 38 -11.052 0.470 -3.464 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.122 -1.163 -5.627 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.366 -1.715 -3.361 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.812 -1.382 -4.293 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -13.166 -2.750 -6.516 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -10.320 -3.803 -3.467 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -12.817 -4.959 -7.598 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.955 -6.001 -4.559 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.202 -6.577 -6.629 1.00 10.00 H new ATOM 578 N ALA A 39 -11.153 0.462 -7.353 1.00 10.00 N ATOM 579 CA ALA A 39 -11.738 0.891 -8.619 1.00 10.00 C ATOM 580 C ALA A 39 -10.620 1.194 -9.616 1.00 10.00 C ATOM 581 O ALA A 39 -10.563 0.627 -10.702 1.00 10.00 O ATOM 582 CB ALA A 39 -12.625 2.121 -8.400 1.00 10.00 C ATOM 0 H ALA A 39 -10.159 0.679 -7.278 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.362 0.094 -9.023 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.056 2.433 -9.351 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.425 1.873 -7.703 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.025 2.934 -7.990 1.00 10.00 H new ATOM 588 N LEU A 40 -9.725 2.096 -9.215 1.00 10.00 N ATOM 589 CA LEU A 40 -8.567 2.528 -9.991 1.00 10.00 C ATOM 590 C LEU A 40 -7.450 1.479 -9.911 1.00 10.00 C ATOM 591 O LEU A 40 -6.571 1.448 -10.767 1.00 10.00 O ATOM 592 CB LEU A 40 -8.064 3.883 -9.457 1.00 10.00 C ATOM 593 CG LEU A 40 -9.076 5.002 -9.371 1.00 10.00 C ATOM 594 CD1 LEU A 40 -8.623 6.138 -8.445 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.407 5.548 -10.752 1.00 10.00 C ATOM 0 H LEU A 40 -9.790 2.561 -8.310 1.00 10.00 H new ATOM 0 HA LEU A 40 -8.860 2.640 -11.035 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.650 3.723 -8.462 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.244 4.215 -10.094 1.00 10.00 H new ATOM 0 HG LEU A 40 -9.977 4.569 -8.936 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.388 6.914 -8.421 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.470 5.748 -7.439 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -7.689 6.560 -8.817 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.137 6.352 -10.660 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.500 5.933 -11.218 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -9.821 4.750 -11.369 1.00 10.00 H new ATOM 607 N GLU A 41 -7.495 0.644 -8.867 1.00 10.00 N ATOM 608 CA GLU A 41 -6.470 -0.325 -8.492 1.00 10.00 C ATOM 609 C GLU A 41 -5.260 0.447 -7.948 1.00 10.00 C ATOM 610 O GLU A 41 -4.124 0.325 -8.402 1.00 10.00 O ATOM 611 CB GLU A 41 -6.189 -1.362 -9.603 1.00 10.00 C ATOM 612 CG GLU A 41 -6.064 -2.768 -8.981 1.00 10.00 C ATOM 613 CD GLU A 41 -5.696 -3.897 -9.947 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.044 -3.767 -11.140 1.00 10.00 O ATOM 615 OE2 GLU A 41 -5.128 -4.911 -9.461 1.00 10.00 O ATOM 0 H GLU A 41 -8.291 0.629 -8.230 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.818 -0.969 -7.685 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.994 -1.349 -10.338 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.271 -1.104 -10.131 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.311 -2.730 -8.194 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.012 -3.019 -8.504 1.00 10.00 H new ATOM 622 N THR A 42 -5.564 1.262 -6.934 1.00 10.00 N ATOM 623 CA THR A 42 -4.687 2.218 -6.279 1.00 10.00 C ATOM 624 C THR A 42 -4.862 2.075 -4.763 1.00 10.00 C ATOM 625 O THR A 42 -5.966 1.777 -4.302 1.00 10.00 O ATOM 626 CB THR A 42 -5.066 3.637 -6.745 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.892 3.736 -8.143 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.264 4.755 -6.071 1.00 10.00 C ATOM 0 H THR A 42 -6.498 1.266 -6.525 1.00 10.00 H new ATOM 0 HA THR A 42 -3.643 2.034 -6.535 1.00 10.00 H new ATOM 0 HB THR A 42 -6.107 3.778 -6.456 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.135 4.638 -8.440 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.593 5.721 -6.455 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.425 4.719 -4.993 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.203 4.621 -6.284 1.00 10.00 H new ATOM 636 N VAL A 43 -3.803 2.320 -3.986 1.00 10.00 N ATOM 637 CA VAL A 43 -3.889 2.572 -2.549 1.00 10.00 C ATOM 638 C VAL A 43 -3.357 3.977 -2.273 1.00 10.00 C ATOM 639 O VAL A 43 -2.363 4.377 -2.882 1.00 10.00 O ATOM 640 CB VAL A 43 -3.150 1.488 -1.739 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.637 1.479 -1.986 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.393 1.659 -0.232 1.00 10.00 C ATOM 0 H VAL A 43 -2.849 2.349 -4.345 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.928 2.520 -2.224 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.560 0.539 -2.085 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.175 0.694 -1.387 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.442 1.292 -3.042 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.217 2.445 -1.705 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.859 0.880 0.313 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -3.032 2.637 0.086 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.460 1.581 -0.024 1.00 10.00 H new ATOM 652 N THR A 44 -4.030 4.707 -1.374 1.00 10.00 N ATOM 653 CA THR A 44 -3.617 6.034 -0.930 1.00 10.00 C ATOM 654 C THR A 44 -3.075 5.902 0.491 1.00 10.00 C ATOM 655 O THR A 44 -3.854 5.824 1.436 1.00 10.00 O ATOM 656 CB THR A 44 -4.815 6.993 -0.996 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.388 6.937 -2.285 1.00 10.00 O ATOM 658 CG2 THR A 44 -4.394 8.440 -0.712 1.00 10.00 C ATOM 0 H THR A 44 -4.889 4.382 -0.931 1.00 10.00 H new ATOM 0 HA THR A 44 -2.837 6.443 -1.573 1.00 10.00 H new ATOM 0 HB THR A 44 -5.534 6.683 -0.237 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.154 7.547 -2.329 1.00 10.00 H new ATOM 0 HG21 THR A 44 -5.267 9.090 -0.767 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.957 8.503 0.285 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.658 8.757 -1.451 1.00 10.00 H new ATOM 666 N VAL A 45 -1.753 5.837 0.643 1.00 10.00 N ATOM 667 CA VAL A 45 -1.086 5.638 1.921 1.00 10.00 C ATOM 668 C VAL A 45 -0.695 6.986 2.507 1.00 10.00 C ATOM 669 O VAL A 45 -0.002 7.760 1.851 1.00 10.00 O ATOM 670 CB VAL A 45 0.144 4.739 1.739 1.00 10.00 C ATOM 671 CG1 VAL A 45 0.780 4.359 3.083 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.275 3.451 1.032 1.00 10.00 C ATOM 0 H VAL A 45 -1.104 5.924 -0.139 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.766 5.143 2.614 1.00 10.00 H new ATOM 0 HB VAL A 45 0.874 5.296 1.152 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.647 3.722 2.908 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.093 5.263 3.606 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.052 3.822 3.691 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.596 2.809 0.900 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.021 2.932 1.634 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.699 3.692 0.057 1.00 10.00 H new ATOM 682 N GLU A 46 -1.091 7.237 3.753 1.00 10.00 N ATOM 683 CA GLU A 46 -0.534 8.298 4.563 1.00 10.00 C ATOM 684 C GLU A 46 0.481 7.685 5.527 1.00 10.00 C ATOM 685 O GLU A 46 0.145 6.776 6.287 1.00 10.00 O ATOM 686 CB GLU A 46 -1.653 9.003 5.327 1.00 10.00 C ATOM 687 CG GLU A 46 -2.647 9.732 4.409 1.00 10.00 C ATOM 688 CD GLU A 46 -3.347 10.870 5.145 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.672 10.654 6.333 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.518 11.951 4.540 1.00 10.00 O ATOM 0 H GLU A 46 -1.816 6.699 4.226 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.036 9.037 3.936 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.193 8.270 5.927 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.215 9.721 6.020 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -2.121 10.127 3.540 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -3.389 9.025 4.038 1.00 10.00 H new ATOM 697 N TYR A 47 1.718 8.186 5.519 1.00 10.00 N ATOM 698 CA TYR A 47 2.798 7.776 6.407 1.00 10.00 C ATOM 699 C TYR A 47 3.712 8.976 6.551 1.00 10.00 C ATOM 700 O TYR A 47 3.475 9.977 5.878 1.00 10.00 O ATOM 701 CB TYR A 47 3.565 6.564 5.858 1.00 10.00 C ATOM 702 CG TYR A 47 4.318 6.794 4.562 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.632 6.776 3.334 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.705 7.047 4.579 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.317 7.041 2.141 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.384 7.337 3.385 1.00 10.00 C ATOM 707 CZ TYR A 47 5.679 7.377 2.172 1.00 10.00 C ATOM 708 OH TYR A 47 6.268 7.902 1.066 1.00 10.00 O ATOM 0 H TYR A 47 2.002 8.917 4.867 1.00 10.00 H new ATOM 0 HA TYR A 47 2.398 7.462 7.371 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.275 6.233 6.616 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.858 5.748 5.706 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.575 6.557 3.311 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.246 7.018 5.513 1.00 10.00 H new ATOM 0 HE1 TYR A 47 3.796 6.987 1.196 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.447 7.529 3.400 1.00 10.00 H new ATOM 0 HH TYR A 47 6.240 8.880 1.113 1.00 10.00 H new ATOM 718 N ASN A 48 4.705 8.902 7.434 1.00 10.00 N ATOM 719 CA ASN A 48 5.637 10.000 7.656 1.00 10.00 C ATOM 720 C ASN A 48 6.992 9.666 7.023 1.00 10.00 C ATOM 721 O ASN A 48 7.562 8.630 7.372 1.00 10.00 O ATOM 722 CB ASN A 48 5.780 10.283 9.152 1.00 10.00 C ATOM 723 CG ASN A 48 6.534 11.590 9.356 1.00 10.00 C ATOM 724 OD1 ASN A 48 5.967 12.665 9.199 1.00 10.00 O ATOM 725 ND2 ASN A 48 7.820 11.519 9.678 1.00 10.00 N ATOM 0 H ASN A 48 4.884 8.082 8.013 1.00 10.00 H new ATOM 0 HA ASN A 48 5.249 10.902 7.182 1.00 10.00 H new ATOM 0 HB2 ASN A 48 4.796 10.343 9.616 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.312 9.465 9.638 1.00 10.00 H new ATOM 0 HD21 ASN A 48 8.363 12.374 9.801 1.00 10.00 H new ATOM 0 HD22 ASN A 48 8.265 10.610 9.802 1.00 10.00 H new ATOM 732 N PRO A 49 7.533 10.511 6.126 1.00 10.00 N ATOM 733 CA PRO A 49 8.769 10.248 5.391 1.00 10.00 C ATOM 734 C PRO A 49 10.007 10.477 6.272 1.00 10.00 C ATOM 735 O PRO A 49 10.903 11.256 5.944 1.00 10.00 O ATOM 736 CB PRO A 49 8.711 11.193 4.184 1.00 10.00 C ATOM 737 CG PRO A 49 7.977 12.403 4.754 1.00 10.00 C ATOM 738 CD PRO A 49 6.929 11.747 5.654 1.00 10.00 C ATOM 0 HA PRO A 49 8.854 9.209 5.073 1.00 10.00 H new ATOM 0 HB2 PRO A 49 9.706 11.454 3.823 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.174 10.749 3.346 1.00 10.00 H new ATOM 0 HG2 PRO A 49 8.644 13.057 5.315 1.00 10.00 H new ATOM 0 HG3 PRO A 49 7.520 13.009 3.971 1.00 10.00 H new ATOM 0 HD2 PRO A 49 6.667 12.398 6.488 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.010 11.548 5.103 1.00 10.00 H new ATOM 746 N LYS A 50 10.056 9.780 7.406 1.00 10.00 N ATOM 747 CA LYS A 50 11.171 9.757 8.340 1.00 10.00 C ATOM 748 C LYS A 50 11.249 8.413 9.077 1.00 10.00 C ATOM 749 O LYS A 50 12.154 8.235 9.888 1.00 10.00 O ATOM 750 CB LYS A 50 11.018 10.942 9.311 1.00 10.00 C ATOM 751 CG LYS A 50 12.323 11.466 9.932 1.00 10.00 C ATOM 752 CD LYS A 50 13.025 12.543 9.087 1.00 10.00 C ATOM 753 CE LYS A 50 13.846 11.973 7.920 1.00 10.00 C ATOM 754 NZ LYS A 50 14.631 13.016 7.230 1.00 10.00 N ATOM 0 H LYS A 50 9.281 9.190 7.709 1.00 10.00 H new ATOM 0 HA LYS A 50 12.112 9.861 7.799 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.534 11.762 8.781 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.348 10.644 10.117 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.106 11.876 10.918 1.00 10.00 H new ATOM 0 HG3 LYS A 50 13.006 10.629 10.078 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.275 13.228 8.692 1.00 10.00 H new ATOM 0 HD3 LYS A 50 13.682 13.127 9.731 1.00 10.00 H new ATOM 0 HE2 LYS A 50 14.519 11.202 8.294 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.176 11.493 7.207 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 15.169 12.587 6.450 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.988 13.740 6.850 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 15.290 13.457 7.903 1.00 10.00 H new ATOM 768 N GLU A 51 10.323 7.487 8.794 1.00 10.00 N ATOM 769 CA GLU A 51 10.219 6.182 9.424 1.00 10.00 C ATOM 770 C GLU A 51 10.130 5.142 8.308 1.00 10.00 C ATOM 771 O GLU A 51 11.098 4.449 8.007 1.00 10.00 O ATOM 772 CB GLU A 51 8.963 6.162 10.311 1.00 10.00 C ATOM 773 CG GLU A 51 9.141 6.953 11.616 1.00 10.00 C ATOM 774 CD GLU A 51 10.008 6.214 12.629 1.00 10.00 C ATOM 775 OE1 GLU A 51 9.742 5.010 12.831 1.00 10.00 O ATOM 776 OE2 GLU A 51 10.903 6.873 13.201 1.00 10.00 O ATOM 0 H GLU A 51 9.601 7.642 8.090 1.00 10.00 H new ATOM 0 HA GLU A 51 11.081 5.962 10.054 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.123 6.576 9.753 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.709 5.129 10.550 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.592 7.920 11.393 1.00 10.00 H new ATOM 0 HG3 GLU A 51 8.163 7.151 12.054 1.00 10.00 H new ATOM 783 N ALA A 52 8.966 5.074 7.659 1.00 10.00 N ATOM 784 CA ALA A 52 8.711 4.228 6.518 1.00 10.00 C ATOM 785 C ALA A 52 9.105 4.987 5.255 1.00 10.00 C ATOM 786 O ALA A 52 9.252 6.210 5.261 1.00 10.00 O ATOM 787 CB ALA A 52 7.220 3.887 6.493 1.00 10.00 C ATOM 0 H ALA A 52 8.155 5.630 7.932 1.00 10.00 H new ATOM 0 HA ALA A 52 9.289 3.306 6.576 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.007 3.247 5.636 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.951 3.365 7.411 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.638 4.805 6.413 1.00 10.00 H new ATOM 793 N SER A 53 9.247 4.245 4.163 1.00 10.00 N ATOM 794 CA SER A 53 9.449 4.761 2.832 1.00 10.00 C ATOM 795 C SER A 53 8.648 3.923 1.841 1.00 10.00 C ATOM 796 O SER A 53 8.401 2.739 2.073 1.00 10.00 O ATOM 797 CB SER A 53 10.934 4.714 2.497 1.00 10.00 C ATOM 798 OG SER A 53 11.484 3.433 2.731 1.00 10.00 O ATOM 0 H SER A 53 9.222 3.226 4.192 1.00 10.00 H new ATOM 0 HA SER A 53 9.108 5.795 2.773 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.080 4.987 1.452 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.466 5.453 3.097 1.00 10.00 H new ATOM 0 HG SER A 53 12.437 3.440 2.504 1.00 10.00 H new ATOM 804 N VAL A 54 8.287 4.545 0.716 1.00 10.00 N ATOM 805 CA VAL A 54 7.568 3.903 -0.376 1.00 10.00 C ATOM 806 C VAL A 54 8.293 2.627 -0.829 1.00 10.00 C ATOM 807 O VAL A 54 7.668 1.587 -1.019 1.00 10.00 O ATOM 808 CB VAL A 54 7.293 4.934 -1.487 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.560 5.553 -2.094 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.408 4.382 -2.611 1.00 10.00 C ATOM 0 H VAL A 54 8.493 5.528 0.540 1.00 10.00 H new ATOM 0 HA VAL A 54 6.589 3.556 -0.045 1.00 10.00 H new ATOM 0 HB VAL A 54 6.752 5.727 -0.971 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.281 6.268 -2.868 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.125 6.064 -1.314 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.176 4.767 -2.531 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.250 5.155 -3.363 1.00 10.00 H new ATOM 0 HG22 VAL A 54 6.897 3.523 -3.071 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.447 4.075 -2.199 1.00 10.00 H new ATOM 820 N SER A 55 9.624 2.691 -0.948 1.00 10.00 N ATOM 821 CA SER A 55 10.441 1.554 -1.354 1.00 10.00 C ATOM 822 C SER A 55 10.376 0.411 -0.330 1.00 10.00 C ATOM 823 O SER A 55 10.290 -0.753 -0.714 1.00 10.00 O ATOM 824 CB SER A 55 11.885 2.007 -1.608 1.00 10.00 C ATOM 825 OG SER A 55 12.571 1.042 -2.380 1.00 10.00 O ATOM 0 H SER A 55 10.162 3.538 -0.764 1.00 10.00 H new ATOM 0 HA SER A 55 10.037 1.158 -2.286 1.00 10.00 H new ATOM 0 HB2 SER A 55 11.887 2.966 -2.126 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.399 2.156 -0.659 1.00 10.00 H new ATOM 0 HG SER A 55 13.491 1.342 -2.537 1.00 10.00 H new ATOM 831 N ASP A 56 10.410 0.726 0.971 1.00 10.00 N ATOM 832 CA ASP A 56 10.341 -0.295 2.010 1.00 10.00 C ATOM 833 C ASP A 56 8.991 -0.994 1.928 1.00 10.00 C ATOM 834 O ASP A 56 8.907 -2.204 1.719 1.00 10.00 O ATOM 835 CB ASP A 56 10.529 0.344 3.388 1.00 10.00 C ATOM 836 CG ASP A 56 10.128 -0.615 4.500 1.00 10.00 C ATOM 837 OD1 ASP A 56 10.920 -1.543 4.764 1.00 10.00 O ATOM 838 OD2 ASP A 56 9.024 -0.403 5.049 1.00 10.00 O ATOM 0 H ASP A 56 10.485 1.680 1.323 1.00 10.00 H new ATOM 0 HA ASP A 56 11.136 -1.026 1.861 1.00 10.00 H new ATOM 0 HB2 ASP A 56 11.571 0.638 3.516 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.931 1.253 3.455 1.00 10.00 H new ATOM 843 N LEU A 57 7.920 -0.206 2.053 1.00 10.00 N ATOM 844 CA LEU A 57 6.580 -0.763 2.086 1.00 10.00 C ATOM 845 C LEU A 57 6.277 -1.528 0.799 1.00 10.00 C ATOM 846 O LEU A 57 5.539 -2.513 0.844 1.00 10.00 O ATOM 847 CB LEU A 57 5.546 0.303 2.465 1.00 10.00 C ATOM 848 CG LEU A 57 5.377 1.434 1.447 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.456 1.075 0.274 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.817 2.673 2.158 1.00 10.00 C ATOM 0 H LEU A 57 7.961 0.810 2.132 1.00 10.00 H new ATOM 0 HA LEU A 57 6.515 -1.507 2.880 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.581 -0.183 2.608 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.829 0.737 3.424 1.00 10.00 H new ATOM 0 HG LEU A 57 6.365 1.625 1.027 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.384 1.924 -0.405 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.864 0.217 -0.260 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.464 0.829 0.653 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.695 3.482 1.438 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.851 2.433 2.601 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.507 2.986 2.941 1.00 10.00 H new ATOM 862 N LYS A 58 6.876 -1.117 -0.333 1.00 10.00 N ATOM 863 CA LYS A 58 6.847 -1.897 -1.565 1.00 10.00 C ATOM 864 C LYS A 58 7.108 -3.375 -1.243 1.00 10.00 C ATOM 865 O LYS A 58 6.332 -4.237 -1.645 1.00 10.00 O ATOM 866 CB LYS A 58 7.875 -1.366 -2.582 1.00 10.00 C ATOM 867 CG LYS A 58 7.501 -1.601 -4.053 1.00 10.00 C ATOM 868 CD LYS A 58 7.118 -3.064 -4.299 1.00 10.00 C ATOM 869 CE LYS A 58 7.269 -3.526 -5.757 1.00 10.00 C ATOM 870 NZ LYS A 58 8.069 -4.764 -5.863 1.00 10.00 N ATOM 0 H LYS A 58 7.389 -0.239 -0.411 1.00 10.00 H new ATOM 0 HA LYS A 58 5.861 -1.801 -2.019 1.00 10.00 H new ATOM 0 HB2 LYS A 58 8.006 -0.296 -2.421 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.838 -1.838 -2.386 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.669 -0.953 -4.328 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.341 -1.329 -4.693 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.735 -3.700 -3.664 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.084 -3.213 -3.989 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.282 -3.693 -6.189 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.743 -2.737 -6.341 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.557 -4.784 -6.781 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.772 -4.790 -5.097 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.442 -5.590 -5.786 1.00 10.00 H new ATOM 884 N GLU A 59 8.197 -3.680 -0.533 1.00 10.00 N ATOM 885 CA GLU A 59 8.570 -5.058 -0.236 1.00 10.00 C ATOM 886 C GLU A 59 7.456 -5.761 0.547 1.00 10.00 C ATOM 887 O GLU A 59 7.147 -6.922 0.297 1.00 10.00 O ATOM 888 CB GLU A 59 9.900 -5.090 0.529 1.00 10.00 C ATOM 889 CG GLU A 59 10.558 -6.484 0.466 1.00 10.00 C ATOM 890 CD GLU A 59 10.702 -7.148 1.825 1.00 10.00 C ATOM 891 OE1 GLU A 59 9.845 -6.944 2.709 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.582 -8.013 2.008 1.00 10.00 O ATOM 0 H GLU A 59 8.837 -2.983 -0.153 1.00 10.00 H new ATOM 0 HA GLU A 59 8.705 -5.599 -1.173 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.579 -4.347 0.110 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.729 -4.815 1.570 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.965 -7.128 -0.183 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.543 -6.392 0.009 1.00 10.00 H new ATOM 899 N ALA A 60 6.827 -5.040 1.476 1.00 10.00 N ATOM 900 CA ALA A 60 5.773 -5.563 2.321 1.00 10.00 C ATOM 901 C ALA A 60 4.560 -5.961 1.484 1.00 10.00 C ATOM 902 O ALA A 60 4.036 -7.061 1.653 1.00 10.00 O ATOM 903 CB ALA A 60 5.411 -4.535 3.394 1.00 10.00 C ATOM 0 H ALA A 60 7.045 -4.061 1.659 1.00 10.00 H new ATOM 0 HA ALA A 60 6.127 -6.464 2.822 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.618 -4.933 4.027 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.289 -4.321 4.004 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.068 -3.617 2.917 1.00 10.00 H new ATOM 909 N VAL A 61 4.098 -5.087 0.583 1.00 10.00 N ATOM 910 CA VAL A 61 2.988 -5.439 -0.279 1.00 10.00 C ATOM 911 C VAL A 61 3.390 -6.552 -1.246 1.00 10.00 C ATOM 912 O VAL A 61 2.640 -7.505 -1.429 1.00 10.00 O ATOM 913 CB VAL A 61 2.433 -4.209 -0.997 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.718 -3.277 -0.011 1.00 10.00 C ATOM 915 CG2 VAL A 61 3.461 -3.420 -1.803 1.00 10.00 C ATOM 0 H VAL A 61 4.474 -4.150 0.440 1.00 10.00 H new ATOM 0 HA VAL A 61 2.178 -5.827 0.338 1.00 10.00 H new ATOM 0 HB VAL A 61 1.724 -4.607 -1.723 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.332 -2.409 -0.546 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.892 -3.810 0.460 1.00 10.00 H new ATOM 0 HG13 VAL A 61 2.421 -2.948 0.754 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.975 -2.567 -2.276 1.00 10.00 H new ATOM 0 HG22 VAL A 61 4.250 -3.066 -1.139 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.893 -4.063 -2.570 1.00 10.00 H new ATOM 925 N ASP A 62 4.582 -6.453 -1.833 1.00 10.00 N ATOM 926 CA ASP A 62 5.135 -7.481 -2.708 1.00 10.00 C ATOM 927 C ASP A 62 5.076 -8.850 -2.017 1.00 10.00 C ATOM 928 O ASP A 62 4.604 -9.827 -2.593 1.00 10.00 O ATOM 929 CB ASP A 62 6.558 -7.096 -3.133 1.00 10.00 C ATOM 930 CG ASP A 62 6.978 -7.797 -4.415 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.320 -8.992 -4.344 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.006 -7.082 -5.445 1.00 10.00 O ATOM 0 H ASP A 62 5.196 -5.648 -1.712 1.00 10.00 H new ATOM 0 HA ASP A 62 4.536 -7.556 -3.616 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.615 -6.017 -3.274 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.256 -7.350 -2.335 1.00 10.00 H new ATOM 937 N LYS A 63 5.448 -8.889 -0.729 1.00 10.00 N ATOM 938 CA LYS A 63 5.369 -10.078 0.116 1.00 10.00 C ATOM 939 C LYS A 63 3.975 -10.731 0.155 1.00 10.00 C ATOM 940 O LYS A 63 3.875 -11.901 0.516 1.00 10.00 O ATOM 941 CB LYS A 63 5.863 -9.727 1.533 1.00 10.00 C ATOM 942 CG LYS A 63 7.219 -10.370 1.859 1.00 10.00 C ATOM 943 CD LYS A 63 7.930 -9.585 2.972 1.00 10.00 C ATOM 944 CE LYS A 63 9.283 -10.225 3.334 1.00 10.00 C ATOM 945 NZ LYS A 63 10.208 -9.264 3.973 1.00 10.00 N ATOM 0 H LYS A 63 5.819 -8.074 -0.240 1.00 10.00 H new ATOM 0 HA LYS A 63 6.017 -10.832 -0.331 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.946 -8.644 1.628 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.124 -10.055 2.264 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.073 -11.404 2.171 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.843 -10.392 0.965 1.00 10.00 H new ATOM 0 HD2 LYS A 63 8.087 -8.556 2.650 1.00 10.00 H new ATOM 0 HD3 LYS A 63 7.295 -9.549 3.857 1.00 10.00 H new ATOM 0 HE2 LYS A 63 9.116 -11.066 4.007 1.00 10.00 H new ATOM 0 HE3 LYS A 63 9.745 -10.625 2.432 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 11.090 -9.215 3.425 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 9.765 -8.323 4.002 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 10.419 -9.577 4.942 1.00 10.00 H new ATOM 959 N LEU A 64 2.900 -10.008 -0.179 1.00 10.00 N ATOM 960 CA LEU A 64 1.557 -10.575 -0.257 1.00 10.00 C ATOM 961 C LEU A 64 1.365 -11.392 -1.541 1.00 10.00 C ATOM 962 O LEU A 64 0.532 -12.296 -1.553 1.00 10.00 O ATOM 963 CB LEU A 64 0.498 -9.469 -0.154 1.00 10.00 C ATOM 964 CG LEU A 64 0.542 -8.743 1.204 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.060 -7.340 1.102 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.227 -9.550 2.260 1.00 10.00 C ATOM 0 H LEU A 64 2.941 -9.014 -0.402 1.00 10.00 H new ATOM 0 HA LEU A 64 1.434 -11.254 0.587 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.652 -8.746 -0.955 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.492 -9.902 -0.300 1.00 10.00 H new ATOM 0 HG LEU A 64 1.587 -8.652 1.499 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.015 -6.853 2.076 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.504 -6.754 0.377 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.099 -7.412 0.781 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.189 -9.027 3.216 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.265 -9.661 1.948 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.227 -10.535 2.367 1.00 10.00 H new ATOM 978 N GLY A 65 2.107 -11.088 -2.614 1.00 10.00 N ATOM 979 CA GLY A 65 2.114 -11.869 -3.848 1.00 10.00 C ATOM 980 C GLY A 65 1.964 -10.981 -5.082 1.00 10.00 C ATOM 981 O GLY A 65 2.721 -11.109 -6.042 1.00 10.00 O ATOM 0 H GLY A 65 2.727 -10.279 -2.645 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.045 -12.432 -3.916 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.302 -12.596 -3.823 1.00 10.00 H new ATOM 985 N TYR A 66 0.962 -10.099 -5.071 1.00 10.00 N ATOM 986 CA TYR A 66 0.742 -9.124 -6.137 1.00 10.00 C ATOM 987 C TYR A 66 1.838 -8.055 -6.122 1.00 10.00 C ATOM 988 O TYR A 66 2.688 -8.051 -5.233 1.00 10.00 O ATOM 989 CB TYR A 66 -0.662 -8.515 -6.018 1.00 10.00 C ATOM 990 CG TYR A 66 -1.124 -8.211 -4.611 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.441 -7.254 -3.841 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.209 -8.912 -4.055 1.00 10.00 C ATOM 993 CE1 TYR A 66 -0.835 -7.013 -2.521 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.630 -8.631 -2.747 1.00 10.00 C ATOM 995 CZ TYR A 66 -1.979 -7.637 -2.001 1.00 10.00 C ATOM 996 OH TYR A 66 -2.479 -7.240 -0.800 1.00 10.00 O ATOM 0 H TYR A 66 0.277 -10.042 -4.317 1.00 10.00 H new ATOM 0 HA TYR A 66 0.799 -9.629 -7.101 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.689 -7.592 -6.598 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.376 -9.200 -6.476 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.386 -6.706 -4.268 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.718 -9.667 -4.635 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.257 -6.345 -1.900 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.454 -9.179 -2.315 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.453 -7.347 -0.800 1.00 10.00 H new ATOM 1006 N LYS A 67 1.826 -7.142 -7.101 1.00 10.00 N ATOM 1007 CA LYS A 67 2.867 -6.129 -7.246 1.00 10.00 C ATOM 1008 C LYS A 67 2.261 -4.729 -7.246 1.00 10.00 C ATOM 1009 O LYS A 67 1.123 -4.532 -7.666 1.00 10.00 O ATOM 1010 CB LYS A 67 3.700 -6.413 -8.502 1.00 10.00 C ATOM 1011 CG LYS A 67 4.851 -7.367 -8.163 1.00 10.00 C ATOM 1012 CD LYS A 67 5.420 -8.094 -9.388 1.00 10.00 C ATOM 1013 CE LYS A 67 5.756 -7.144 -10.548 1.00 10.00 C ATOM 1014 NZ LYS A 67 6.346 -7.869 -11.691 1.00 10.00 N ATOM 0 H LYS A 67 1.095 -7.088 -7.810 1.00 10.00 H new ATOM 0 HA LYS A 67 3.541 -6.175 -6.391 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.069 -6.851 -9.275 1.00 10.00 H new ATOM 0 HB3 LYS A 67 4.096 -5.481 -8.904 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.650 -6.804 -7.680 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.501 -8.105 -7.442 1.00 10.00 H new ATOM 0 HD2 LYS A 67 6.320 -8.635 -9.097 1.00 10.00 H new ATOM 0 HD3 LYS A 67 4.699 -8.836 -9.731 1.00 10.00 H new ATOM 0 HE2 LYS A 67 4.851 -6.629 -10.871 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.452 -6.379 -10.203 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 6.560 -7.197 -12.455 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 7.222 -8.340 -11.388 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 5.671 -8.582 -12.036 1.00 10.00 H new ATOM 1028 N LEU A 68 3.051 -3.776 -6.744 1.00 10.00 N ATOM 1029 CA LEU A 68 2.720 -2.394 -6.482 1.00 10.00 C ATOM 1030 C LEU A 68 3.828 -1.571 -7.123 1.00 10.00 C ATOM 1031 O LEU A 68 4.960 -2.043 -7.252 1.00 10.00 O ATOM 1032 CB LEU A 68 2.695 -2.184 -4.962 1.00 10.00 C ATOM 1033 CG LEU A 68 2.266 -0.779 -4.494 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.277 -0.843 -3.317 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.509 0.017 -4.058 1.00 10.00 C ATOM 0 H LEU A 68 4.018 -3.981 -6.493 1.00 10.00 H new ATOM 0 HA LEU A 68 1.748 -2.106 -6.883 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.018 -2.917 -4.522 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.690 -2.392 -4.567 1.00 10.00 H new ATOM 0 HG LEU A 68 1.768 -0.289 -5.331 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.001 0.168 -3.019 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.384 -1.388 -3.622 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.745 -1.354 -2.476 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.207 1.011 -3.727 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.005 -0.503 -3.239 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.196 0.108 -4.899 1.00 10.00 H new ATOM 1047 N LYS A 69 3.511 -0.343 -7.504 1.00 10.00 N ATOM 1048 CA LYS A 69 4.445 0.653 -7.990 1.00 10.00 C ATOM 1049 C LYS A 69 3.939 2.016 -7.545 1.00 10.00 C ATOM 1050 O LYS A 69 2.775 2.161 -7.192 1.00 10.00 O ATOM 1051 CB LYS A 69 4.554 0.613 -9.519 1.00 10.00 C ATOM 1052 CG LYS A 69 5.191 -0.684 -10.031 1.00 10.00 C ATOM 1053 CD LYS A 69 5.719 -0.467 -11.453 1.00 10.00 C ATOM 1054 CE LYS A 69 6.311 -1.764 -12.018 1.00 10.00 C ATOM 1055 NZ LYS A 69 7.001 -1.536 -13.304 1.00 10.00 N ATOM 0 H LYS A 69 2.550 -0.001 -7.480 1.00 10.00 H new ATOM 0 HA LYS A 69 5.437 0.452 -7.586 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.560 0.721 -9.953 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.145 1.463 -9.860 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.004 -0.987 -9.372 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.457 -1.490 -10.023 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.911 -0.120 -12.097 1.00 10.00 H new ATOM 0 HD3 LYS A 69 6.480 0.313 -11.448 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.012 -2.187 -11.299 1.00 10.00 H new ATOM 0 HE3 LYS A 69 5.516 -2.497 -12.157 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.388 -2.435 -13.655 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.326 -1.156 -13.998 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.776 -0.856 -13.166 1.00 10.00 H new ATOM 1069 N LEU A 70 4.813 3.015 -7.561 1.00 10.00 N ATOM 1070 CA LEU A 70 4.452 4.377 -7.210 1.00 10.00 C ATOM 1071 C LEU A 70 3.515 4.968 -8.259 1.00 10.00 C ATOM 1072 O LEU A 70 3.596 4.633 -9.443 1.00 10.00 O ATOM 1073 CB LEU A 70 5.741 5.184 -6.997 1.00 10.00 C ATOM 1074 CG LEU A 70 5.705 6.717 -7.120 1.00 10.00 C ATOM 1075 CD1 LEU A 70 7.020 7.233 -6.525 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.644 7.216 -8.571 1.00 10.00 C ATOM 0 H LEU A 70 5.793 2.900 -7.819 1.00 10.00 H new ATOM 0 HA LEU A 70 3.892 4.407 -6.275 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.115 4.945 -6.001 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.478 4.816 -7.711 1.00 10.00 H new ATOM 0 HG LEU A 70 4.809 7.074 -6.612 1.00 10.00 H new ATOM 0 HD11 LEU A 70 7.046 8.321 -6.588 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.091 6.928 -5.481 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.859 6.818 -7.083 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.621 8.306 -8.580 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.523 6.867 -9.113 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.745 6.830 -9.051 1.00 10.00 H new ATOM 1088 N LYS A 71 2.646 5.872 -7.804 1.00 10.00 N ATOM 1089 CA LYS A 71 1.870 6.773 -8.643 1.00 10.00 C ATOM 1090 C LYS A 71 2.271 8.220 -8.357 1.00 10.00 C ATOM 1091 O LYS A 71 2.561 8.963 -9.293 1.00 10.00 O ATOM 1092 CB LYS A 71 0.364 6.547 -8.470 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.382 6.685 -9.802 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.133 5.447 -10.676 1.00 10.00 C ATOM 1095 CE LYS A 71 0.371 5.728 -12.091 1.00 10.00 C ATOM 1096 NZ LYS A 71 0.758 4.460 -12.748 1.00 10.00 N ATOM 0 H LYS A 71 2.460 5.997 -6.809 1.00 10.00 H new ATOM 0 HA LYS A 71 2.093 6.558 -9.688 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.189 5.554 -8.055 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.033 7.266 -7.753 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -1.450 6.802 -9.619 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.048 7.582 -10.324 1.00 10.00 H new ATOM 0 HD2 LYS A 71 0.592 4.808 -10.172 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.062 4.881 -10.746 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -0.406 6.226 -12.671 1.00 10.00 H new ATOM 0 HE3 LYS A 71 1.225 6.405 -12.055 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 0.246 4.365 -13.648 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 1.782 4.462 -12.931 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 0.519 3.660 -12.127 1.00 10.00 H new ATOM 1110 N GLY A 72 2.328 8.613 -7.081 1.00 10.00 N ATOM 1111 CA GLY A 72 2.853 9.921 -6.717 1.00 10.00 C ATOM 1112 C GLY A 72 2.676 10.227 -5.232 1.00 10.00 C ATOM 1113 O GLY A 72 1.612 9.976 -4.669 1.00 10.00 O ATOM 0 H GLY A 72 2.018 8.045 -6.292 1.00 10.00 H new ATOM 0 HA2 GLY A 72 3.912 9.968 -6.971 1.00 10.00 H new ATOM 0 HA3 GLY A 72 2.350 10.688 -7.306 1.00 10.00 H new ATOM 1117 N GLU A 73 3.703 10.798 -4.600 1.00 10.00 N ATOM 1118 CA GLU A 73 3.690 11.214 -3.206 1.00 10.00 C ATOM 1119 C GLU A 73 2.929 12.534 -3.041 1.00 10.00 C ATOM 1120 O GLU A 73 3.499 13.538 -2.616 1.00 10.00 O ATOM 1121 CB GLU A 73 5.123 11.267 -2.652 1.00 10.00 C ATOM 1122 CG GLU A 73 5.713 9.857 -2.464 1.00 10.00 C ATOM 1123 CD GLU A 73 5.770 9.053 -3.753 1.00 10.00 C ATOM 1124 OE1 GLU A 73 6.092 9.679 -4.790 1.00 10.00 O ATOM 1125 OE2 GLU A 73 5.428 7.851 -3.701 1.00 10.00 O ATOM 0 H GLU A 73 4.592 10.987 -5.063 1.00 10.00 H new ATOM 0 HA GLU A 73 3.152 10.475 -2.612 1.00 10.00 H new ATOM 0 HB2 GLU A 73 5.755 11.838 -3.332 1.00 10.00 H new ATOM 0 HB3 GLU A 73 5.125 11.793 -1.697 1.00 10.00 H new ATOM 0 HG2 GLU A 73 6.719 9.943 -2.053 1.00 10.00 H new ATOM 0 HG3 GLU A 73 5.115 9.315 -1.732 1.00 10.00 H new ATOM 1132 N GLN A 74 1.634 12.533 -3.370 1.00 10.00 N ATOM 1133 CA GLN A 74 0.708 13.588 -2.987 1.00 10.00 C ATOM 1134 C GLN A 74 -0.727 13.126 -3.228 1.00 10.00 C ATOM 1135 O GLN A 74 -0.956 12.161 -3.954 1.00 10.00 O ATOM 1136 CB GLN A 74 0.987 14.902 -3.746 1.00 10.00 C ATOM 1137 CG GLN A 74 1.376 16.023 -2.771 1.00 10.00 C ATOM 1138 CD GLN A 74 1.409 17.398 -3.433 1.00 10.00 C ATOM 1139 OE1 GLN A 74 0.647 17.678 -4.351 1.00 10.00 O ATOM 1140 NE2 GLN A 74 2.272 18.289 -2.953 1.00 10.00 N ATOM 0 H GLN A 74 1.200 11.789 -3.916 1.00 10.00 H new ATOM 0 HA GLN A 74 0.851 13.793 -1.926 1.00 10.00 H new ATOM 0 HB2 GLN A 74 1.789 14.747 -4.468 1.00 10.00 H new ATOM 0 HB3 GLN A 74 0.102 15.196 -4.311 1.00 10.00 H new ATOM 0 HG2 GLN A 74 0.667 16.040 -1.943 1.00 10.00 H new ATOM 0 HG3 GLN A 74 2.356 15.805 -2.347 1.00 10.00 H new ATOM 0 HE21 GLN A 74 2.897 18.033 -2.188 1.00 10.00 H new ATOM 0 HE22 GLN A 74 2.309 19.228 -3.350 1.00 10.00 H new ATOM 1149 N ASP A 75 -1.675 13.866 -2.647 1.00 10.00 N ATOM 1150 CA ASP A 75 -3.094 13.839 -2.969 1.00 10.00 C ATOM 1151 C ASP A 75 -3.587 15.283 -2.872 1.00 10.00 C ATOM 1152 O ASP A 75 -3.821 15.773 -1.766 1.00 10.00 O ATOM 1153 CB ASP A 75 -3.859 12.927 -2.001 1.00 10.00 C ATOM 1154 CG ASP A 75 -5.369 13.079 -2.154 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -5.797 13.560 -3.227 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -6.068 12.733 -1.178 1.00 10.00 O ATOM 0 H ASP A 75 -1.458 14.530 -1.904 1.00 10.00 H new ATOM 0 HA ASP A 75 -3.262 13.437 -3.968 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -3.578 11.889 -2.180 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -3.572 13.162 -0.976 1.00 10.00 H new ATOM 1161 N SER A 76 -3.644 15.981 -4.012 1.00 10.00 N ATOM 1162 CA SER A 76 -4.107 17.359 -4.179 1.00 10.00 C ATOM 1163 C SER A 76 -4.182 17.658 -5.681 1.00 10.00 C ATOM 1164 O SER A 76 -3.413 18.468 -6.193 1.00 10.00 O ATOM 1165 CB SER A 76 -3.172 18.369 -3.486 1.00 10.00 C ATOM 1166 OG SER A 76 -3.352 18.404 -2.083 1.00 10.00 O ATOM 0 H SER A 76 -3.349 15.570 -4.898 1.00 10.00 H new ATOM 0 HA SER A 76 -5.087 17.461 -3.713 1.00 10.00 H new ATOM 0 HB2 SER A 76 -2.137 18.112 -3.709 1.00 10.00 H new ATOM 0 HB3 SER A 76 -3.349 19.363 -3.896 1.00 10.00 H new ATOM 0 HG SER A 76 -3.512 17.496 -1.751 1.00 10.00 H new ATOM 1172 N ILE A 77 -5.089 16.996 -6.403 1.00 10.00 N ATOM 1173 CA ILE A 77 -5.308 17.296 -7.815 1.00 10.00 C ATOM 1174 C ILE A 77 -5.910 18.704 -7.922 1.00 10.00 C ATOM 1175 O ILE A 77 -6.842 19.024 -7.186 1.00 10.00 O ATOM 1176 CB ILE A 77 -6.214 16.227 -8.461 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -5.551 14.838 -8.375 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -6.504 16.584 -9.929 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -6.485 13.697 -8.790 1.00 10.00 C ATOM 0 H ILE A 77 -5.680 16.252 -6.033 1.00 10.00 H new ATOM 0 HA ILE A 77 -4.364 17.274 -8.360 1.00 10.00 H new ATOM 0 HB ILE A 77 -7.157 16.200 -7.915 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -4.666 14.825 -9.012 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -5.211 14.667 -7.354 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -7.144 15.820 -10.370 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -7.007 17.550 -9.976 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -5.567 16.636 -10.483 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -5.958 12.747 -8.707 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -7.358 13.686 -8.137 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -6.805 13.846 -9.821 1.00 10.00 H new ATOM 1191 N GLU A 78 -5.396 19.529 -8.841 1.00 10.00 N ATOM 1192 CA GLU A 78 -5.903 20.862 -9.133 1.00 10.00 C ATOM 1193 C GLU A 78 -5.740 21.100 -10.639 1.00 10.00 C ATOM 1194 O GLU A 78 -4.992 20.374 -11.298 1.00 10.00 O ATOM 1195 CB GLU A 78 -5.134 21.905 -8.305 1.00 10.00 C ATOM 1196 CG GLU A 78 -5.981 23.150 -8.003 1.00 10.00 C ATOM 1197 CD GLU A 78 -5.117 24.273 -7.447 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -4.531 24.990 -8.286 1.00 10.00 O ATOM 1199 OE2 GLU A 78 -5.053 24.385 -6.205 1.00 10.00 O ATOM 0 H GLU A 78 -4.593 19.274 -9.415 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.956 20.953 -8.865 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.809 21.453 -7.368 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -4.235 22.202 -8.844 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.479 23.485 -8.913 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -6.762 22.898 -7.286 1.00 10.00 H new ATOM 1206 N GLY A 79 -6.446 22.092 -11.188 1.00 10.00 N ATOM 1207 CA GLY A 79 -6.444 22.407 -12.612 1.00 10.00 C ATOM 1208 C GLY A 79 -7.187 21.322 -13.391 1.00 10.00 C ATOM 1209 O GLY A 79 -8.349 21.505 -13.742 1.00 10.00 O ATOM 0 H GLY A 79 -7.046 22.709 -10.641 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -6.918 23.374 -12.779 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -5.419 22.487 -12.973 1.00 10.00 H new ATOM 1213 N ARG A 80 -6.517 20.183 -13.578 1.00 10.00 N ATOM 1214 CA ARG A 80 -7.075 18.953 -14.124 1.00 10.00 C ATOM 1215 C ARG A 80 -7.640 19.119 -15.545 1.00 10.00 C ATOM 1216 O ARG A 80 -8.698 18.499 -15.826 1.00 10.00 O ATOM 1217 CB ARG A 80 -8.122 18.412 -13.146 1.00 10.00 C ATOM 1218 CG ARG A 80 -8.304 16.903 -13.327 1.00 10.00 C ATOM 1219 CD ARG A 80 -9.641 16.484 -12.715 1.00 10.00 C ATOM 1220 NE ARG A 80 -10.048 15.154 -13.181 1.00 10.00 N ATOM 1221 CZ ARG A 80 -10.568 14.909 -14.396 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -10.618 15.877 -15.324 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -11.037 13.684 -14.666 1.00 10.00 N ATOM 1224 OXT ARG A 80 -6.977 19.823 -16.337 1.00 10.00 O ATOM 0 H ARG A 80 -5.529 20.093 -13.342 1.00 10.00 H new ATOM 0 HA ARG A 80 -6.267 18.229 -14.232 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -7.815 18.626 -12.122 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -9.073 18.920 -13.306 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -8.278 16.645 -14.386 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -7.486 16.365 -12.848 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -9.561 16.482 -11.628 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -10.407 17.213 -12.977 1.00 10.00 H new ATOM 0 HE ARG A 80 -9.929 14.367 -12.544 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -10.260 16.808 -15.110 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -11.014 15.682 -16.243 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -10.996 12.954 -13.955 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -11.435 13.481 -15.583 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -6.682 -11.014 -5.784 1.00 10.00 CU