USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 566 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 39 HIS : no HD1:sc= -3.31! X(o=-5!,f=-5) USER MOD Set 1.2: A 43 MET CE :methyl -145:sc= -1.72 (180deg=-2.52!) USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0.579 K(o=1.2,f=-2.2) USER MOD Set 2.2: A 6 SER OG : rot -77:sc= 0.669 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -32:sc= 0.0561 USER MOD Single : A 10 TYR OH : rot 165:sc= 0.57 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 17 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.5) USER MOD Single : A 20 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot -173:sc= -1.74! USER MOD Single : A 24 ASN :FLIP amide:sc= -1.23 F(o=-3!,f=-1.2) USER MOD Single : A 27 THR OG1 : rot -16:sc= -1.1! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -57:sc= -0.107! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 44 THR OG1 : rot 30:sc= -0.459 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -14.2! C(o=-15!,f=-14!) USER MOD Single : A 48 SER OG : rot 170:sc= -2.31! USER MOD Single : A 50 SER OG : rot 180:sc= 0.115 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -62:sc= -3.15! USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.9!) USER MOD Single : A 78 ASN :FLIP amide:sc= -12.3! C(o=-13!,f=-12!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 7.773 -2.051 -9.701 1.00 1.00 N ATOM 53 CA LYS A 4 7.650 -0.848 -10.563 1.00 1.00 C ATOM 54 C LYS A 4 8.277 0.351 -9.862 1.00 1.00 C ATOM 55 O LYS A 4 9.086 0.201 -8.969 1.00 1.00 O ATOM 56 CB LYS A 4 6.196 -0.603 -10.902 1.00 1.00 C ATOM 57 CG LYS A 4 5.733 -1.802 -11.717 1.00 1.00 C ATOM 58 CD LYS A 4 4.839 -1.371 -12.882 1.00 1.00 C ATOM 59 CE LYS A 4 4.792 -2.487 -13.928 1.00 1.00 C ATOM 60 NZ LYS A 4 3.697 -3.439 -13.588 1.00 1.00 N ATOM 0 HA LYS A 4 8.185 -1.007 -11.499 1.00 1.00 H new ATOM 0 HB2 LYS A 4 5.599 -0.496 -9.996 1.00 1.00 H new ATOM 0 HB3 LYS A 4 6.081 0.320 -11.470 1.00 1.00 H new ATOM 0 HG2 LYS A 4 6.600 -2.340 -12.101 1.00 1.00 H new ATOM 0 HG3 LYS A 4 5.188 -2.493 -11.074 1.00 1.00 H new ATOM 0 HD2 LYS A 4 3.834 -1.153 -12.522 1.00 1.00 H new ATOM 0 HD3 LYS A 4 5.223 -0.454 -13.329 1.00 1.00 H new ATOM 0 HE2 LYS A 4 4.627 -2.065 -14.919 1.00 1.00 H new ATOM 0 HE3 LYS A 4 5.747 -3.011 -13.960 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 3.664 -4.198 -14.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 3.874 -3.850 -12.649 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 2.788 -2.934 -13.579 1.00 1.00 H new ATOM 74 N HIS A 5 7.948 1.533 -10.271 1.00 1.00 N ATOM 75 CA HIS A 5 8.572 2.729 -9.634 1.00 1.00 C ATOM 76 C HIS A 5 7.655 3.320 -8.562 1.00 1.00 C ATOM 77 O HIS A 5 8.029 3.446 -7.413 1.00 1.00 O ATOM 78 CB HIS A 5 8.843 3.780 -10.706 1.00 1.00 C ATOM 79 CG HIS A 5 9.672 4.890 -10.121 1.00 1.00 C ATOM 80 ND1 HIS A 5 9.108 6.059 -9.633 1.00 1.00 N ATOM 81 CD2 HIS A 5 11.026 5.022 -9.935 1.00 1.00 C ATOM 82 CE1 HIS A 5 10.110 6.835 -9.183 1.00 1.00 C ATOM 83 NE2 HIS A 5 11.300 6.251 -9.342 1.00 1.00 N ATOM 0 H HIS A 5 7.278 1.731 -11.014 1.00 1.00 H new ATOM 0 HA HIS A 5 9.504 2.425 -9.158 1.00 1.00 H new ATOM 0 HB2 HIS A 5 9.364 3.328 -11.550 1.00 1.00 H new ATOM 0 HB3 HIS A 5 7.902 4.177 -11.088 1.00 1.00 H new ATOM 0 HD2 HIS A 5 11.766 4.284 -10.207 1.00 1.00 H new ATOM 0 HE1 HIS A 5 9.969 7.812 -8.746 1.00 1.00 H new ATOM 0 HE2 HIS A 5 12.213 6.625 -9.084 1.00 1.00 H new ATOM 91 N SER A 6 6.472 3.708 -8.932 1.00 1.00 N ATOM 92 CA SER A 6 5.549 4.319 -7.937 1.00 1.00 C ATOM 93 C SER A 6 4.148 3.702 -8.021 1.00 1.00 C ATOM 94 O SER A 6 3.931 2.687 -8.647 1.00 1.00 O ATOM 95 CB SER A 6 5.446 5.819 -8.207 1.00 1.00 C ATOM 96 OG SER A 6 6.034 6.111 -9.468 1.00 1.00 O ATOM 0 H SER A 6 6.102 3.630 -9.879 1.00 1.00 H new ATOM 0 HA SER A 6 5.949 4.132 -6.940 1.00 1.00 H new ATOM 0 HB2 SER A 6 4.402 6.131 -8.199 1.00 1.00 H new ATOM 0 HB3 SER A 6 5.951 6.378 -7.419 1.00 1.00 H new ATOM 0 HG SER A 6 7.010 6.112 -9.381 1.00 1.00 H new ATOM 102 N ILE A 7 3.196 4.326 -7.379 1.00 1.00 N ATOM 103 CA ILE A 7 1.801 3.811 -7.395 1.00 1.00 C ATOM 104 C ILE A 7 1.218 3.958 -8.809 1.00 1.00 C ATOM 105 O ILE A 7 0.267 3.297 -9.172 1.00 1.00 O ATOM 106 CB ILE A 7 0.974 4.610 -6.375 1.00 1.00 C ATOM 107 CG1 ILE A 7 0.073 3.658 -5.598 1.00 1.00 C ATOM 108 CG2 ILE A 7 0.106 5.675 -7.061 1.00 1.00 C ATOM 109 CD1 ILE A 7 -0.081 4.179 -4.174 1.00 1.00 C ATOM 0 H ILE A 7 3.330 5.181 -6.839 1.00 1.00 H new ATOM 0 HA ILE A 7 1.778 2.755 -7.125 1.00 1.00 H new ATOM 0 HB ILE A 7 1.667 5.115 -5.702 1.00 1.00 H new ATOM 0 HG12 ILE A 7 -0.902 3.583 -6.080 1.00 1.00 H new ATOM 0 HG13 ILE A 7 0.502 2.656 -5.589 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -0.464 6.220 -6.308 1.00 1.00 H new ATOM 0 HG22 ILE A 7 0.745 6.370 -7.605 1.00 1.00 H new ATOM 0 HG23 ILE A 7 -0.580 5.192 -7.757 1.00 1.00 H new ATOM 0 HD11 ILE A 7 -0.724 3.505 -3.608 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.898 4.231 -3.698 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.527 5.173 -4.197 1.00 1.00 H new ATOM 121 N SER A 8 1.779 4.835 -9.601 1.00 1.00 N ATOM 122 CA SER A 8 1.253 5.038 -10.984 1.00 1.00 C ATOM 123 C SER A 8 1.489 3.777 -11.816 1.00 1.00 C ATOM 124 O SER A 8 0.891 3.585 -12.856 1.00 1.00 O ATOM 125 CB SER A 8 1.970 6.222 -11.635 1.00 1.00 C ATOM 126 OG SER A 8 1.467 6.408 -12.952 1.00 1.00 O ATOM 0 H SER A 8 2.577 5.418 -9.350 1.00 1.00 H new ATOM 0 HA SER A 8 0.183 5.243 -10.936 1.00 1.00 H new ATOM 0 HB2 SER A 8 1.817 7.125 -11.044 1.00 1.00 H new ATOM 0 HB3 SER A 8 3.044 6.040 -11.666 1.00 1.00 H new ATOM 0 HG SER A 8 1.212 5.541 -13.330 1.00 1.00 H new ATOM 132 N ASP A 9 2.352 2.913 -11.362 1.00 1.00 N ATOM 133 CA ASP A 9 2.622 1.660 -12.114 1.00 1.00 C ATOM 134 C ASP A 9 1.637 0.590 -11.656 1.00 1.00 C ATOM 135 O ASP A 9 1.422 -0.405 -12.320 1.00 1.00 O ATOM 136 CB ASP A 9 4.057 1.191 -11.881 1.00 1.00 C ATOM 137 CG ASP A 9 4.818 2.164 -10.992 1.00 1.00 C ATOM 138 OD1 ASP A 9 4.748 3.354 -11.261 1.00 1.00 O ATOM 139 OD2 ASP A 9 5.458 1.706 -10.061 1.00 1.00 O ATOM 0 H ASP A 9 2.884 3.022 -10.498 1.00 1.00 H new ATOM 0 HA ASP A 9 2.498 1.844 -13.181 1.00 1.00 H new ATOM 0 HB2 ASP A 9 4.049 0.203 -11.420 1.00 1.00 H new ATOM 0 HB3 ASP A 9 4.570 1.092 -12.838 1.00 1.00 H new ATOM 144 N TYR A 10 1.017 0.806 -10.530 1.00 1.00 N ATOM 145 CA TYR A 10 0.017 -0.171 -10.023 1.00 1.00 C ATOM 146 C TYR A 10 -1.337 0.529 -9.942 1.00 1.00 C ATOM 147 O TYR A 10 -1.437 1.642 -9.468 1.00 1.00 O ATOM 148 CB TYR A 10 0.436 -0.656 -8.633 1.00 1.00 C ATOM 149 CG TYR A 10 1.779 -1.335 -8.730 1.00 1.00 C ATOM 150 CD1 TYR A 10 1.898 -2.550 -9.413 1.00 1.00 C ATOM 151 CD2 TYR A 10 2.907 -0.746 -8.145 1.00 1.00 C ATOM 152 CE1 TYR A 10 3.143 -3.178 -9.512 1.00 1.00 C ATOM 153 CE2 TYR A 10 4.154 -1.374 -8.244 1.00 1.00 C ATOM 154 CZ TYR A 10 4.271 -2.590 -8.928 1.00 1.00 C ATOM 155 OH TYR A 10 5.499 -3.209 -9.030 1.00 1.00 O ATOM 0 H TYR A 10 1.162 1.623 -9.936 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.047 -1.030 -10.690 1.00 1.00 H new ATOM 0 HB2 TYR A 10 0.489 0.185 -7.942 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.307 -1.348 -8.237 1.00 1.00 H new ATOM 0 HD1 TYR A 10 1.028 -3.003 -9.864 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.815 0.192 -7.618 1.00 1.00 H new ATOM 0 HE1 TYR A 10 3.234 -4.116 -10.039 1.00 1.00 H new ATOM 0 HE2 TYR A 10 5.025 -0.921 -7.793 1.00 1.00 H new ATOM 0 HH TYR A 10 6.206 -2.574 -8.791 1.00 1.00 H new ATOM 165 N THR A 11 -2.380 -0.104 -10.403 1.00 1.00 N ATOM 166 CA THR A 11 -3.717 0.551 -10.352 1.00 1.00 C ATOM 167 C THR A 11 -4.207 0.569 -8.906 1.00 1.00 C ATOM 168 O THR A 11 -3.541 0.093 -8.012 1.00 1.00 O ATOM 169 CB THR A 11 -4.710 -0.242 -11.208 1.00 1.00 C ATOM 170 OG1 THR A 11 -4.487 -1.633 -11.021 1.00 1.00 O ATOM 171 CG2 THR A 11 -4.521 0.113 -12.683 1.00 1.00 C ATOM 0 H THR A 11 -2.365 -1.039 -10.810 1.00 1.00 H new ATOM 0 HA THR A 11 -3.640 1.569 -10.733 1.00 1.00 H new ATOM 0 HB THR A 11 -5.727 0.009 -10.907 1.00 1.00 H new ATOM 0 HG1 THR A 11 -5.122 -2.142 -11.566 1.00 1.00 H new ATOM 0 HG21 THR A 11 -5.229 -0.454 -13.287 1.00 1.00 H new ATOM 0 HG22 THR A 11 -4.694 1.180 -12.826 1.00 1.00 H new ATOM 0 HG23 THR A 11 -3.504 -0.134 -12.989 1.00 1.00 H new ATOM 179 N GLU A 12 -5.365 1.113 -8.665 1.00 1.00 N ATOM 180 CA GLU A 12 -5.886 1.150 -7.272 1.00 1.00 C ATOM 181 C GLU A 12 -6.265 -0.267 -6.842 1.00 1.00 C ATOM 182 O GLU A 12 -6.437 -0.548 -5.673 1.00 1.00 O ATOM 183 CB GLU A 12 -7.116 2.047 -7.211 1.00 1.00 C ATOM 184 CG GLU A 12 -8.176 1.446 -8.114 1.00 1.00 C ATOM 185 CD GLU A 12 -9.440 1.151 -7.302 1.00 1.00 C ATOM 186 OE1 GLU A 12 -9.619 1.782 -6.273 1.00 1.00 O ATOM 187 OE2 GLU A 12 -10.205 0.300 -7.723 1.00 1.00 O ATOM 0 H GLU A 12 -5.972 1.532 -9.369 1.00 1.00 H new ATOM 0 HA GLU A 12 -5.120 1.544 -6.604 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -7.484 2.121 -6.188 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -6.868 3.058 -7.534 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -8.407 2.134 -8.927 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -7.802 0.529 -8.569 1.00 1.00 H new ATOM 194 N ALA A 13 -6.383 -1.167 -7.778 1.00 1.00 N ATOM 195 CA ALA A 13 -6.744 -2.568 -7.428 1.00 1.00 C ATOM 196 C ALA A 13 -5.467 -3.397 -7.332 1.00 1.00 C ATOM 197 O ALA A 13 -5.229 -4.077 -6.355 1.00 1.00 O ATOM 198 CB ALA A 13 -7.653 -3.150 -8.512 1.00 1.00 C ATOM 0 H ALA A 13 -6.244 -0.991 -8.773 1.00 1.00 H new ATOM 0 HA ALA A 13 -7.270 -2.587 -6.473 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -7.916 -4.176 -8.254 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -8.560 -2.550 -8.587 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -7.131 -3.139 -9.469 1.00 1.00 H new ATOM 204 N GLU A 14 -4.632 -3.333 -8.333 1.00 1.00 N ATOM 205 CA GLU A 14 -3.369 -4.090 -8.300 1.00 1.00 C ATOM 206 C GLU A 14 -2.601 -3.691 -7.041 1.00 1.00 C ATOM 207 O GLU A 14 -2.016 -4.516 -6.362 1.00 1.00 O ATOM 208 CB GLU A 14 -2.572 -3.719 -9.542 1.00 1.00 C ATOM 209 CG GLU A 14 -2.492 -4.925 -10.474 1.00 1.00 C ATOM 210 CD GLU A 14 -1.025 -5.245 -10.775 1.00 1.00 C ATOM 211 OE1 GLU A 14 -0.210 -5.097 -9.880 1.00 1.00 O ATOM 212 OE2 GLU A 14 -0.743 -5.632 -11.898 1.00 1.00 O ATOM 0 H GLU A 14 -4.781 -2.780 -9.177 1.00 1.00 H new ATOM 0 HA GLU A 14 -3.547 -5.165 -8.285 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -3.045 -2.881 -10.054 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -1.570 -3.396 -9.261 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -2.975 -5.786 -10.013 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -3.027 -4.717 -11.401 1.00 1.00 H new ATOM 219 N PHE A 15 -2.621 -2.429 -6.709 1.00 1.00 N ATOM 220 CA PHE A 15 -1.916 -1.976 -5.482 1.00 1.00 C ATOM 221 C PHE A 15 -2.698 -2.478 -4.276 1.00 1.00 C ATOM 222 O PHE A 15 -2.136 -2.975 -3.319 1.00 1.00 O ATOM 223 CB PHE A 15 -1.848 -0.451 -5.446 1.00 1.00 C ATOM 224 CG PHE A 15 -0.859 -0.024 -4.389 1.00 1.00 C ATOM 225 CD1 PHE A 15 0.471 -0.457 -4.460 1.00 1.00 C ATOM 226 CD2 PHE A 15 -1.270 0.802 -3.335 1.00 1.00 C ATOM 227 CE1 PHE A 15 1.388 -0.064 -3.481 1.00 1.00 C ATOM 228 CE2 PHE A 15 -0.351 1.196 -2.355 1.00 1.00 C ATOM 229 CZ PHE A 15 0.979 0.762 -2.428 1.00 1.00 C ATOM 0 H PHE A 15 -3.095 -1.695 -7.235 1.00 1.00 H new ATOM 0 HA PHE A 15 -0.899 -2.368 -5.471 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -1.547 -0.065 -6.420 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -2.832 -0.036 -5.229 1.00 1.00 H new ATOM 0 HD1 PHE A 15 0.788 -1.095 -5.272 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -2.296 1.135 -3.278 1.00 1.00 H new ATOM 0 HE1 PHE A 15 2.413 -0.398 -3.537 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -0.667 1.834 -1.543 1.00 1.00 H new ATOM 0 HZ PHE A 15 1.688 1.065 -1.672 1.00 1.00 H new ATOM 239 N LEU A 16 -3.997 -2.372 -4.324 1.00 1.00 N ATOM 240 CA LEU A 16 -4.817 -2.866 -3.191 1.00 1.00 C ATOM 241 C LEU A 16 -4.486 -4.339 -2.971 1.00 1.00 C ATOM 242 O LEU A 16 -4.633 -4.869 -1.888 1.00 1.00 O ATOM 243 CB LEU A 16 -6.296 -2.701 -3.537 1.00 1.00 C ATOM 244 CG LEU A 16 -7.151 -2.861 -2.289 1.00 1.00 C ATOM 245 CD1 LEU A 16 -8.540 -2.276 -2.548 1.00 1.00 C ATOM 246 CD2 LEU A 16 -7.278 -4.344 -1.935 1.00 1.00 C ATOM 0 H LEU A 16 -4.522 -1.965 -5.098 1.00 1.00 H new ATOM 0 HA LEU A 16 -4.604 -2.303 -2.282 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -6.466 -1.719 -3.979 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -6.587 -3.441 -4.283 1.00 1.00 H new ATOM 0 HG LEU A 16 -6.681 -2.334 -1.459 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -9.155 -2.389 -1.655 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -8.449 -1.218 -2.794 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -9.007 -2.803 -3.380 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -7.891 -4.453 -1.041 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -7.746 -4.877 -2.763 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -6.288 -4.760 -1.749 1.00 1.00 H new ATOM 258 N GLN A 17 -4.006 -4.996 -3.993 1.00 1.00 N ATOM 259 CA GLN A 17 -3.632 -6.424 -3.848 1.00 1.00 C ATOM 260 C GLN A 17 -2.370 -6.494 -2.993 1.00 1.00 C ATOM 261 O GLN A 17 -2.234 -7.341 -2.138 1.00 1.00 O ATOM 262 CB GLN A 17 -3.360 -7.033 -5.225 1.00 1.00 C ATOM 263 CG GLN A 17 -4.294 -8.224 -5.452 1.00 1.00 C ATOM 264 CD GLN A 17 -5.729 -7.823 -5.106 1.00 1.00 C ATOM 265 OE1 GLN A 17 -6.155 -6.725 -5.403 1.00 1.00 O ATOM 266 NE2 GLN A 17 -6.498 -8.673 -4.482 1.00 1.00 N ATOM 0 H GLN A 17 -3.858 -4.601 -4.922 1.00 1.00 H new ATOM 0 HA GLN A 17 -4.442 -6.982 -3.378 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -3.513 -6.284 -6.002 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -2.321 -7.355 -5.293 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -4.237 -8.551 -6.490 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -3.982 -9.067 -4.835 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -6.141 -9.595 -4.232 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -7.456 -8.415 -4.244 1.00 1.00 H new ATOM 275 N LEU A 18 -1.451 -5.590 -3.211 1.00 1.00 N ATOM 276 CA LEU A 18 -0.202 -5.586 -2.397 1.00 1.00 C ATOM 277 C LEU A 18 -0.584 -5.482 -0.922 1.00 1.00 C ATOM 278 O LEU A 18 -0.321 -6.373 -0.141 1.00 1.00 O ATOM 279 CB LEU A 18 0.662 -4.380 -2.790 1.00 1.00 C ATOM 280 CG LEU A 18 1.834 -4.227 -1.814 1.00 1.00 C ATOM 281 CD1 LEU A 18 3.146 -4.494 -2.553 1.00 1.00 C ATOM 282 CD2 LEU A 18 1.852 -2.801 -1.251 1.00 1.00 C ATOM 0 H LEU A 18 -1.512 -4.856 -3.917 1.00 1.00 H new ATOM 0 HA LEU A 18 0.363 -6.502 -2.573 1.00 1.00 H new ATOM 0 HB2 LEU A 18 1.039 -4.509 -3.805 1.00 1.00 H new ATOM 0 HB3 LEU A 18 0.057 -3.474 -2.787 1.00 1.00 H new ATOM 0 HG LEU A 18 1.720 -4.939 -0.997 1.00 1.00 H new ATOM 0 HD11 LEU A 18 3.982 -4.386 -1.861 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.137 -5.507 -2.956 1.00 1.00 H new ATOM 0 HD13 LEU A 18 3.256 -3.780 -3.369 1.00 1.00 H new ATOM 0 HD21 LEU A 18 2.686 -2.694 -0.557 1.00 1.00 H new ATOM 0 HD22 LEU A 18 1.966 -2.089 -2.068 1.00 1.00 H new ATOM 0 HD23 LEU A 18 0.917 -2.605 -0.727 1.00 1.00 H new ATOM 294 N VAL A 19 -1.213 -4.402 -0.540 1.00 1.00 N ATOM 295 CA VAL A 19 -1.621 -4.236 0.883 1.00 1.00 C ATOM 296 C VAL A 19 -2.338 -5.497 1.362 1.00 1.00 C ATOM 297 O VAL A 19 -2.361 -5.794 2.537 1.00 1.00 O ATOM 298 CB VAL A 19 -2.549 -3.033 0.996 1.00 1.00 C ATOM 299 CG1 VAL A 19 -3.275 -3.054 2.343 1.00 1.00 C ATOM 300 CG2 VAL A 19 -1.729 -1.747 0.880 1.00 1.00 C ATOM 0 H VAL A 19 -1.462 -3.627 -1.155 1.00 1.00 H new ATOM 0 HA VAL A 19 -0.740 -4.075 1.504 1.00 1.00 H new ATOM 0 HB VAL A 19 -3.286 -3.074 0.194 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.936 -2.190 2.414 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.863 -3.968 2.425 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.544 -3.019 3.151 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -2.391 -0.885 0.961 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.990 -1.713 1.681 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -1.221 -1.725 -0.084 1.00 1.00 H new ATOM 310 N THR A 20 -2.918 -6.249 0.468 1.00 1.00 N ATOM 311 CA THR A 20 -3.614 -7.490 0.901 1.00 1.00 C ATOM 312 C THR A 20 -2.565 -8.537 1.278 1.00 1.00 C ATOM 313 O THR A 20 -2.593 -9.098 2.353 1.00 1.00 O ATOM 314 CB THR A 20 -4.490 -8.024 -0.233 1.00 1.00 C ATOM 315 OG1 THR A 20 -5.400 -7.011 -0.645 1.00 1.00 O ATOM 316 CG2 THR A 20 -5.270 -9.245 0.259 1.00 1.00 C ATOM 0 H THR A 20 -2.940 -6.060 -0.534 1.00 1.00 H new ATOM 0 HA THR A 20 -4.249 -7.272 1.760 1.00 1.00 H new ATOM 0 HB THR A 20 -3.862 -8.311 -1.076 1.00 1.00 H new ATOM 0 HG1 THR A 20 -5.007 -6.498 -1.382 1.00 1.00 H new ATOM 0 HG21 THR A 20 -5.895 -9.627 -0.548 1.00 1.00 H new ATOM 0 HG22 THR A 20 -4.572 -10.020 0.575 1.00 1.00 H new ATOM 0 HG23 THR A 20 -5.900 -8.959 1.101 1.00 1.00 H new ATOM 324 N THR A 21 -1.633 -8.798 0.403 1.00 1.00 N ATOM 325 CA THR A 21 -0.580 -9.802 0.711 1.00 1.00 C ATOM 326 C THR A 21 0.139 -9.408 2.003 1.00 1.00 C ATOM 327 O THR A 21 0.793 -10.217 2.631 1.00 1.00 O ATOM 328 CB THR A 21 0.429 -9.849 -0.437 1.00 1.00 C ATOM 329 OG1 THR A 21 -0.246 -10.168 -1.646 1.00 1.00 O ATOM 330 CG2 THR A 21 1.490 -10.910 -0.146 1.00 1.00 C ATOM 0 H THR A 21 -1.557 -8.357 -0.514 1.00 1.00 H new ATOM 0 HA THR A 21 -1.039 -10.783 0.834 1.00 1.00 H new ATOM 0 HB THR A 21 0.912 -8.877 -0.536 1.00 1.00 H new ATOM 0 HG1 THR A 21 0.399 -10.197 -2.383 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.208 -10.941 -0.966 1.00 1.00 H new ATOM 0 HG22 THR A 21 2.008 -10.662 0.780 1.00 1.00 H new ATOM 0 HG23 THR A 21 1.012 -11.884 -0.045 1.00 1.00 H new ATOM 338 N ILE A 22 0.027 -8.171 2.402 1.00 1.00 N ATOM 339 CA ILE A 22 0.711 -7.735 3.651 1.00 1.00 C ATOM 340 C ILE A 22 -0.204 -7.985 4.855 1.00 1.00 C ATOM 341 O ILE A 22 0.102 -8.775 5.723 1.00 1.00 O ATOM 342 CB ILE A 22 1.064 -6.247 3.561 1.00 1.00 C ATOM 343 CG1 ILE A 22 1.495 -5.919 2.121 1.00 1.00 C ATOM 344 CG2 ILE A 22 2.209 -5.950 4.538 1.00 1.00 C ATOM 345 CD1 ILE A 22 2.448 -4.716 2.096 1.00 1.00 C ATOM 0 H ILE A 22 -0.506 -7.447 1.920 1.00 1.00 H new ATOM 0 HA ILE A 22 1.630 -8.308 3.775 1.00 1.00 H new ATOM 0 HB ILE A 22 0.201 -5.635 3.822 1.00 1.00 H new ATOM 0 HG12 ILE A 22 1.985 -6.786 1.677 1.00 1.00 H new ATOM 0 HG13 ILE A 22 0.616 -5.704 1.514 1.00 1.00 H new ATOM 0 HG21 ILE A 22 2.469 -4.893 4.483 1.00 1.00 H new ATOM 0 HG22 ILE A 22 1.894 -6.194 5.553 1.00 1.00 H new ATOM 0 HG23 ILE A 22 3.078 -6.552 4.274 1.00 1.00 H new ATOM 0 HD11 ILE A 22 2.739 -4.503 1.067 1.00 1.00 H new ATOM 0 HD12 ILE A 22 1.946 -3.845 2.519 1.00 1.00 H new ATOM 0 HD13 ILE A 22 3.337 -4.944 2.685 1.00 1.00 H new ATOM 357 N CYS A 23 -1.321 -7.320 4.915 1.00 1.00 N ATOM 358 CA CYS A 23 -2.247 -7.520 6.066 1.00 1.00 C ATOM 359 C CYS A 23 -2.682 -8.984 6.142 1.00 1.00 C ATOM 360 O CYS A 23 -2.522 -9.641 7.151 1.00 1.00 O ATOM 361 CB CYS A 23 -3.482 -6.637 5.881 1.00 1.00 C ATOM 362 SG CYS A 23 -3.696 -5.585 7.337 1.00 1.00 S ATOM 0 H CYS A 23 -1.635 -6.646 4.217 1.00 1.00 H new ATOM 0 HA CYS A 23 -1.732 -7.251 6.988 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -3.372 -6.022 4.988 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -4.366 -7.257 5.734 1.00 1.00 H new ATOM 0 HG CYS A 23 -4.826 -4.948 7.250 1.00 1.00 H new ATOM 368 N ASN A 24 -3.242 -9.491 5.083 1.00 1.00 N ATOM 369 CA ASN A 24 -3.710 -10.908 5.080 1.00 1.00 C ATOM 370 C ASN A 24 -2.554 -11.855 5.430 1.00 1.00 C ATOM 371 O ASN A 24 -2.766 -13.013 5.732 1.00 1.00 O ATOM 372 CB ASN A 24 -4.256 -11.265 3.693 1.00 1.00 C ATOM 373 CG ASN A 24 -5.722 -10.841 3.592 1.00 1.00 C ATOM 374 OD1 ASN A 24 -6.085 -9.671 4.045 1.00 1.00 O flip ATOM 375 ND2 ASN A 24 -6.547 -11.580 3.094 1.00 1.00 N flip ATOM 0 H ASN A 24 -3.398 -8.984 4.212 1.00 1.00 H new ATOM 0 HA ASN A 24 -4.496 -11.018 5.827 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -3.669 -10.767 2.921 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -4.165 -12.337 3.520 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -6.265 -12.494 2.740 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.522 -11.287 3.030 1.00 1.00 H new ATOM 382 N ALA A 25 -1.335 -11.387 5.391 1.00 1.00 N ATOM 383 CA ALA A 25 -0.192 -12.283 5.721 1.00 1.00 C ATOM 384 C ALA A 25 -0.162 -13.453 4.734 1.00 1.00 C ATOM 385 O ALA A 25 -0.171 -14.604 5.120 1.00 1.00 O ATOM 386 CB ALA A 25 -0.360 -12.818 7.145 1.00 1.00 C ATOM 0 H ALA A 25 -1.083 -10.429 5.146 1.00 1.00 H new ATOM 0 HA ALA A 25 0.742 -11.725 5.651 1.00 1.00 H new ATOM 0 HB1 ALA A 25 0.476 -13.474 7.388 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -0.383 -11.984 7.847 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -1.293 -13.377 7.216 1.00 1.00 H new ATOM 392 N ASP A 26 -0.130 -13.166 3.459 1.00 1.00 N ATOM 393 CA ASP A 26 -0.104 -14.254 2.443 1.00 1.00 C ATOM 394 C ASP A 26 1.338 -14.678 2.184 1.00 1.00 C ATOM 395 O ASP A 26 1.631 -15.415 1.265 1.00 1.00 O ATOM 396 CB ASP A 26 -0.711 -13.719 1.157 1.00 1.00 C ATOM 397 CG ASP A 26 -1.580 -14.794 0.503 1.00 1.00 C ATOM 398 OD1 ASP A 26 -2.265 -15.497 1.227 1.00 1.00 O ATOM 399 OD2 ASP A 26 -1.548 -14.896 -0.714 1.00 1.00 O ATOM 0 H ASP A 26 -0.121 -12.220 3.078 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.669 -15.115 2.800 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -1.311 -12.834 1.369 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.079 -13.412 0.472 1.00 1.00 H new ATOM 404 N THR A 27 2.231 -14.215 2.995 1.00 1.00 N ATOM 405 CA THR A 27 3.660 -14.573 2.829 1.00 1.00 C ATOM 406 C THR A 27 4.092 -15.445 3.999 1.00 1.00 C ATOM 407 O THR A 27 3.810 -15.159 5.146 1.00 1.00 O ATOM 408 CB THR A 27 4.527 -13.308 2.791 1.00 1.00 C ATOM 409 OG1 THR A 27 5.025 -13.041 4.095 1.00 1.00 O ATOM 410 CG2 THR A 27 3.694 -12.120 2.307 1.00 1.00 C ATOM 0 H THR A 27 2.032 -13.594 3.779 1.00 1.00 H new ATOM 0 HA THR A 27 3.786 -15.113 1.891 1.00 1.00 H new ATOM 0 HB THR A 27 5.360 -13.461 2.105 1.00 1.00 H new ATOM 0 HG1 THR A 27 4.510 -13.553 4.753 1.00 1.00 H new ATOM 0 HG21 THR A 27 4.316 -11.225 2.283 1.00 1.00 H new ATOM 0 HG22 THR A 27 3.314 -12.325 1.306 1.00 1.00 H new ATOM 0 HG23 THR A 27 2.857 -11.961 2.987 1.00 1.00 H new ATOM 418 N SER A 28 4.773 -16.503 3.707 1.00 1.00 N ATOM 419 CA SER A 28 5.244 -17.418 4.784 1.00 1.00 C ATOM 420 C SER A 28 6.545 -16.875 5.385 1.00 1.00 C ATOM 421 O SER A 28 7.463 -17.618 5.672 1.00 1.00 O ATOM 422 CB SER A 28 5.494 -18.807 4.198 1.00 1.00 C ATOM 423 OG SER A 28 4.301 -19.576 4.286 1.00 1.00 O ATOM 0 H SER A 28 5.030 -16.783 2.761 1.00 1.00 H new ATOM 0 HA SER A 28 4.484 -17.483 5.563 1.00 1.00 H new ATOM 0 HB2 SER A 28 5.811 -18.724 3.158 1.00 1.00 H new ATOM 0 HB3 SER A 28 6.300 -19.303 4.739 1.00 1.00 H new ATOM 0 HG SER A 28 4.458 -20.467 3.909 1.00 1.00 H new ATOM 429 N SER A 29 6.627 -15.588 5.588 1.00 1.00 N ATOM 430 CA SER A 29 7.846 -14.997 6.175 1.00 1.00 C ATOM 431 C SER A 29 7.559 -13.553 6.591 1.00 1.00 C ATOM 432 O SER A 29 7.049 -12.763 5.819 1.00 1.00 O ATOM 433 CB SER A 29 8.987 -15.029 5.157 1.00 1.00 C ATOM 434 OG SER A 29 8.856 -16.186 4.340 1.00 1.00 O ATOM 0 H SER A 29 5.889 -14.920 5.367 1.00 1.00 H new ATOM 0 HA SER A 29 8.142 -15.575 7.050 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.965 -14.130 4.541 1.00 1.00 H new ATOM 0 HB3 SER A 29 9.948 -15.040 5.671 1.00 1.00 H new ATOM 0 HG SER A 29 8.840 -16.986 4.906 1.00 1.00 H new ATOM 440 N GLU A 30 7.872 -13.205 7.808 1.00 1.00 N ATOM 441 CA GLU A 30 7.611 -11.816 8.284 1.00 1.00 C ATOM 442 C GLU A 30 8.444 -10.822 7.474 1.00 1.00 C ATOM 443 O GLU A 30 8.030 -9.708 7.225 1.00 1.00 O ATOM 444 CB GLU A 30 7.989 -11.708 9.764 1.00 1.00 C ATOM 445 CG GLU A 30 6.839 -11.063 10.539 1.00 1.00 C ATOM 446 CD GLU A 30 6.134 -12.123 11.387 1.00 1.00 C ATOM 447 OE1 GLU A 30 6.532 -13.273 11.314 1.00 1.00 O ATOM 448 OE2 GLU A 30 5.207 -11.766 12.096 1.00 1.00 O ATOM 0 H GLU A 30 8.299 -13.825 8.497 1.00 1.00 H new ATOM 0 HA GLU A 30 6.553 -11.585 8.155 1.00 1.00 H new ATOM 0 HB2 GLU A 30 8.204 -12.697 10.168 1.00 1.00 H new ATOM 0 HB3 GLU A 30 8.896 -11.113 9.876 1.00 1.00 H new ATOM 0 HG2 GLU A 30 7.219 -10.266 11.178 1.00 1.00 H new ATOM 0 HG3 GLU A 30 6.131 -10.607 9.847 1.00 1.00 H new ATOM 455 N GLU A 31 9.619 -11.212 7.062 1.00 1.00 N ATOM 456 CA GLU A 31 10.478 -10.284 6.274 1.00 1.00 C ATOM 457 C GLU A 31 9.809 -9.976 4.935 1.00 1.00 C ATOM 458 O GLU A 31 9.998 -8.920 4.366 1.00 1.00 O ATOM 459 CB GLU A 31 11.839 -10.936 6.029 1.00 1.00 C ATOM 460 CG GLU A 31 12.755 -9.951 5.300 1.00 1.00 C ATOM 461 CD GLU A 31 14.190 -10.121 5.800 1.00 1.00 C ATOM 462 OE1 GLU A 31 14.802 -11.119 5.458 1.00 1.00 O ATOM 463 OE2 GLU A 31 14.654 -9.249 6.516 1.00 1.00 O ATOM 0 H GLU A 31 10.021 -12.133 7.237 1.00 1.00 H new ATOM 0 HA GLU A 31 10.614 -9.356 6.830 1.00 1.00 H new ATOM 0 HB2 GLU A 31 12.288 -11.232 6.977 1.00 1.00 H new ATOM 0 HB3 GLU A 31 11.718 -11.843 5.436 1.00 1.00 H new ATOM 0 HG2 GLU A 31 12.711 -10.125 4.225 1.00 1.00 H new ATOM 0 HG3 GLU A 31 12.418 -8.929 5.472 1.00 1.00 H new ATOM 470 N GLU A 32 9.026 -10.885 4.428 1.00 1.00 N ATOM 471 CA GLU A 32 8.344 -10.633 3.126 1.00 1.00 C ATOM 472 C GLU A 32 7.137 -9.723 3.358 1.00 1.00 C ATOM 473 O GLU A 32 6.761 -8.942 2.507 1.00 1.00 O ATOM 474 CB GLU A 32 7.877 -11.960 2.525 1.00 1.00 C ATOM 475 CG GLU A 32 7.349 -11.720 1.109 1.00 1.00 C ATOM 476 CD GLU A 32 7.549 -12.983 0.268 1.00 1.00 C ATOM 477 OE1 GLU A 32 7.774 -14.030 0.852 1.00 1.00 O ATOM 478 OE2 GLU A 32 7.475 -12.880 -0.945 1.00 1.00 O ATOM 0 H GLU A 32 8.828 -11.789 4.856 1.00 1.00 H new ATOM 0 HA GLU A 32 9.038 -10.152 2.437 1.00 1.00 H new ATOM 0 HB2 GLU A 32 8.702 -12.671 2.501 1.00 1.00 H new ATOM 0 HB3 GLU A 32 7.096 -12.398 3.147 1.00 1.00 H new ATOM 0 HG2 GLU A 32 6.292 -11.457 1.144 1.00 1.00 H new ATOM 0 HG3 GLU A 32 7.872 -10.880 0.652 1.00 1.00 H new ATOM 485 N LEU A 33 6.529 -9.817 4.509 1.00 1.00 N ATOM 486 CA LEU A 33 5.349 -8.964 4.805 1.00 1.00 C ATOM 487 C LEU A 33 5.819 -7.554 5.145 1.00 1.00 C ATOM 488 O LEU A 33 5.089 -6.591 5.008 1.00 1.00 O ATOM 489 CB LEU A 33 4.591 -9.560 5.992 1.00 1.00 C ATOM 490 CG LEU A 33 3.121 -9.719 5.629 1.00 1.00 C ATOM 491 CD1 LEU A 33 2.898 -11.120 5.079 1.00 1.00 C ATOM 492 CD2 LEU A 33 2.255 -9.521 6.873 1.00 1.00 C ATOM 0 H LEU A 33 6.802 -10.452 5.259 1.00 1.00 H new ATOM 0 HA LEU A 33 4.691 -8.922 3.937 1.00 1.00 H new ATOM 0 HB2 LEU A 33 5.017 -10.527 6.260 1.00 1.00 H new ATOM 0 HB3 LEU A 33 4.693 -8.914 6.864 1.00 1.00 H new ATOM 0 HG LEU A 33 2.848 -8.975 4.881 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.848 -11.245 4.816 1.00 1.00 H new ATOM 0 HD12 LEU A 33 3.514 -11.265 4.192 1.00 1.00 H new ATOM 0 HD13 LEU A 33 3.172 -11.856 5.835 1.00 1.00 H new ATOM 0 HD21 LEU A 33 1.204 -9.636 6.607 1.00 1.00 H new ATOM 0 HD22 LEU A 33 2.522 -10.264 7.624 1.00 1.00 H new ATOM 0 HD23 LEU A 33 2.420 -8.522 7.276 1.00 1.00 H new ATOM 504 N VAL A 34 7.040 -7.421 5.567 1.00 1.00 N ATOM 505 CA VAL A 34 7.572 -6.077 5.893 1.00 1.00 C ATOM 506 C VAL A 34 8.047 -5.447 4.594 1.00 1.00 C ATOM 507 O VAL A 34 7.621 -4.384 4.222 1.00 1.00 O ATOM 508 CB VAL A 34 8.715 -6.233 6.915 1.00 1.00 C ATOM 509 CG1 VAL A 34 10.076 -5.948 6.280 1.00 1.00 C ATOM 510 CG2 VAL A 34 8.486 -5.270 8.082 1.00 1.00 C ATOM 0 H VAL A 34 7.696 -8.191 5.701 1.00 1.00 H new ATOM 0 HA VAL A 34 6.816 -5.431 6.340 1.00 1.00 H new ATOM 0 HB VAL A 34 8.716 -7.264 7.270 1.00 1.00 H new ATOM 0 HG11 VAL A 34 10.859 -6.067 7.029 1.00 1.00 H new ATOM 0 HG12 VAL A 34 10.248 -6.646 5.460 1.00 1.00 H new ATOM 0 HG13 VAL A 34 10.092 -4.928 5.897 1.00 1.00 H new ATOM 0 HG21 VAL A 34 9.293 -5.378 8.807 1.00 1.00 H new ATOM 0 HG22 VAL A 34 8.467 -4.246 7.710 1.00 1.00 H new ATOM 0 HG23 VAL A 34 7.535 -5.499 8.562 1.00 1.00 H new ATOM 520 N LYS A 35 8.903 -6.111 3.881 1.00 1.00 N ATOM 521 CA LYS A 35 9.362 -5.537 2.593 1.00 1.00 C ATOM 522 C LYS A 35 8.130 -5.226 1.745 1.00 1.00 C ATOM 523 O LYS A 35 8.177 -4.432 0.825 1.00 1.00 O ATOM 524 CB LYS A 35 10.258 -6.541 1.864 1.00 1.00 C ATOM 525 CG LYS A 35 11.472 -5.811 1.283 1.00 1.00 C ATOM 526 CD LYS A 35 12.616 -6.805 1.081 1.00 1.00 C ATOM 527 CE LYS A 35 13.870 -6.295 1.797 1.00 1.00 C ATOM 528 NZ LYS A 35 13.892 -6.818 3.192 1.00 1.00 N ATOM 0 H LYS A 35 9.302 -7.016 4.129 1.00 1.00 H new ATOM 0 HA LYS A 35 9.937 -4.628 2.769 1.00 1.00 H new ATOM 0 HB2 LYS A 35 10.584 -7.321 2.552 1.00 1.00 H new ATOM 0 HB3 LYS A 35 9.699 -7.032 1.067 1.00 1.00 H new ATOM 0 HG2 LYS A 35 11.209 -5.345 0.333 1.00 1.00 H new ATOM 0 HG3 LYS A 35 11.785 -5.012 1.955 1.00 1.00 H new ATOM 0 HD2 LYS A 35 12.335 -7.783 1.471 1.00 1.00 H new ATOM 0 HD3 LYS A 35 12.818 -6.932 0.017 1.00 1.00 H new ATOM 0 HE2 LYS A 35 14.764 -6.617 1.262 1.00 1.00 H new ATOM 0 HE3 LYS A 35 13.879 -5.205 1.806 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 14.743 -6.472 3.679 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 13.045 -6.490 3.699 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 13.903 -7.858 3.173 1.00 1.00 H new ATOM 542 N LEU A 36 7.018 -5.839 2.059 1.00 1.00 N ATOM 543 CA LEU A 36 5.780 -5.584 1.310 1.00 1.00 C ATOM 544 C LEU A 36 5.196 -4.260 1.789 1.00 1.00 C ATOM 545 O LEU A 36 4.712 -3.457 1.015 1.00 1.00 O ATOM 546 CB LEU A 36 4.814 -6.718 1.636 1.00 1.00 C ATOM 547 CG LEU A 36 4.565 -7.571 0.392 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.899 -7.890 -0.283 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.874 -8.876 0.798 1.00 1.00 C ATOM 0 H LEU A 36 6.927 -6.515 2.818 1.00 1.00 H new ATOM 0 HA LEU A 36 5.960 -5.534 0.236 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.224 -7.337 2.434 1.00 1.00 H new ATOM 0 HB3 LEU A 36 3.872 -6.310 2.001 1.00 1.00 H new ATOM 0 HG LEU A 36 3.928 -7.023 -0.303 1.00 1.00 H new ATOM 0 HD11 LEU A 36 5.722 -8.498 -1.170 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.392 -6.962 -0.572 1.00 1.00 H new ATOM 0 HD13 LEU A 36 6.536 -8.438 0.411 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.696 -9.485 -0.089 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.511 -9.424 1.493 1.00 1.00 H new ATOM 0 HD23 LEU A 36 2.923 -8.649 1.279 1.00 1.00 H new ATOM 561 N VAL A 37 5.232 -4.040 3.074 1.00 1.00 N ATOM 562 CA VAL A 37 4.680 -2.784 3.638 1.00 1.00 C ATOM 563 C VAL A 37 5.602 -1.612 3.274 1.00 1.00 C ATOM 564 O VAL A 37 5.168 -0.625 2.713 1.00 1.00 O ATOM 565 CB VAL A 37 4.544 -2.947 5.163 1.00 1.00 C ATOM 566 CG1 VAL A 37 5.779 -2.429 5.887 1.00 1.00 C ATOM 567 CG2 VAL A 37 3.331 -2.166 5.644 1.00 1.00 C ATOM 0 H VAL A 37 5.624 -4.684 3.760 1.00 1.00 H new ATOM 0 HA VAL A 37 3.695 -2.573 3.222 1.00 1.00 H new ATOM 0 HB VAL A 37 4.431 -4.009 5.383 1.00 1.00 H new ATOM 0 HG11 VAL A 37 5.652 -2.558 6.962 1.00 1.00 H new ATOM 0 HG12 VAL A 37 6.655 -2.986 5.556 1.00 1.00 H new ATOM 0 HG13 VAL A 37 5.915 -1.371 5.662 1.00 1.00 H new ATOM 0 HG21 VAL A 37 3.231 -2.278 6.724 1.00 1.00 H new ATOM 0 HG22 VAL A 37 3.457 -1.111 5.399 1.00 1.00 H new ATOM 0 HG23 VAL A 37 2.435 -2.548 5.155 1.00 1.00 H new ATOM 577 N THR A 38 6.869 -1.719 3.566 1.00 1.00 N ATOM 578 CA THR A 38 7.804 -0.636 3.217 1.00 1.00 C ATOM 579 C THR A 38 7.593 -0.277 1.752 1.00 1.00 C ATOM 580 O THR A 38 7.520 0.880 1.388 1.00 1.00 O ATOM 581 CB THR A 38 9.225 -1.144 3.434 1.00 1.00 C ATOM 582 OG1 THR A 38 9.221 -2.129 4.457 1.00 1.00 O ATOM 583 CG2 THR A 38 10.116 0.016 3.851 1.00 1.00 C ATOM 0 H THR A 38 7.291 -2.520 4.035 1.00 1.00 H new ATOM 0 HA THR A 38 7.636 0.246 3.834 1.00 1.00 H new ATOM 0 HB THR A 38 9.604 -1.580 2.510 1.00 1.00 H new ATOM 0 HG1 THR A 38 10.133 -2.459 4.597 1.00 1.00 H new ATOM 0 HG21 THR A 38 11.133 -0.344 4.007 1.00 1.00 H new ATOM 0 HG22 THR A 38 10.116 0.775 3.068 1.00 1.00 H new ATOM 0 HG23 THR A 38 9.739 0.450 4.777 1.00 1.00 H new ATOM 591 N HIS A 39 7.466 -1.264 0.907 1.00 1.00 N ATOM 592 CA HIS A 39 7.228 -0.970 -0.528 1.00 1.00 C ATOM 593 C HIS A 39 6.021 -0.039 -0.615 1.00 1.00 C ATOM 594 O HIS A 39 6.046 0.965 -1.300 1.00 1.00 O ATOM 595 CB HIS A 39 6.935 -2.267 -1.286 1.00 1.00 C ATOM 596 CG HIS A 39 6.985 -1.995 -2.761 1.00 1.00 C ATOM 597 ND1 HIS A 39 5.901 -2.231 -3.592 1.00 1.00 N ATOM 598 CD2 HIS A 39 7.976 -1.496 -3.570 1.00 1.00 C ATOM 599 CE1 HIS A 39 6.262 -1.875 -4.839 1.00 1.00 C ATOM 600 NE2 HIS A 39 7.517 -1.421 -4.881 1.00 1.00 N ATOM 0 H HIS A 39 7.517 -2.253 1.149 1.00 1.00 H new ATOM 0 HA HIS A 39 8.107 -0.504 -0.972 1.00 1.00 H new ATOM 0 HB2 HIS A 39 7.665 -3.031 -1.020 1.00 1.00 H new ATOM 0 HB3 HIS A 39 5.954 -2.652 -1.008 1.00 1.00 H new ATOM 0 HD2 HIS A 39 8.962 -1.206 -3.239 1.00 1.00 H new ATOM 0 HE1 HIS A 39 5.615 -1.948 -5.701 1.00 1.00 H new ATOM 0 HE2 HIS A 39 8.029 -1.090 -5.699 1.00 1.00 H new ATOM 608 N PHE A 40 4.969 -0.354 0.095 1.00 1.00 N ATOM 609 CA PHE A 40 3.774 0.530 0.072 1.00 1.00 C ATOM 610 C PHE A 40 4.233 1.965 0.352 1.00 1.00 C ATOM 611 O PHE A 40 3.833 2.897 -0.317 1.00 1.00 O ATOM 612 CB PHE A 40 2.780 0.079 1.146 1.00 1.00 C ATOM 613 CG PHE A 40 1.622 1.047 1.207 1.00 1.00 C ATOM 614 CD1 PHE A 40 1.810 2.332 1.733 1.00 1.00 C ATOM 615 CD2 PHE A 40 0.361 0.660 0.739 1.00 1.00 C ATOM 616 CE1 PHE A 40 0.735 3.229 1.789 1.00 1.00 C ATOM 617 CE2 PHE A 40 -0.713 1.555 0.795 1.00 1.00 C ATOM 618 CZ PHE A 40 -0.527 2.840 1.320 1.00 1.00 C ATOM 0 H PHE A 40 4.889 -1.182 0.686 1.00 1.00 H new ATOM 0 HA PHE A 40 3.283 0.479 -0.900 1.00 1.00 H new ATOM 0 HB2 PHE A 40 2.417 -0.924 0.921 1.00 1.00 H new ATOM 0 HB3 PHE A 40 3.276 0.028 2.116 1.00 1.00 H new ATOM 0 HD1 PHE A 40 2.783 2.631 2.095 1.00 1.00 H new ATOM 0 HD2 PHE A 40 0.217 -0.331 0.334 1.00 1.00 H new ATOM 0 HE1 PHE A 40 0.879 4.220 2.194 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -1.685 1.255 0.433 1.00 1.00 H new ATOM 0 HZ PHE A 40 -1.356 3.531 1.363 1.00 1.00 H new ATOM 628 N GLU A 41 5.084 2.142 1.329 1.00 1.00 N ATOM 629 CA GLU A 41 5.597 3.470 1.664 1.00 1.00 C ATOM 630 C GLU A 41 6.226 4.133 0.434 1.00 1.00 C ATOM 631 O GLU A 41 5.963 5.280 0.132 1.00 1.00 O ATOM 632 CB GLU A 41 6.660 3.232 2.717 1.00 1.00 C ATOM 633 CG GLU A 41 6.222 3.870 4.017 1.00 1.00 C ATOM 634 CD GLU A 41 7.264 4.892 4.473 1.00 1.00 C ATOM 635 OE1 GLU A 41 8.385 4.819 4.000 1.00 1.00 O ATOM 636 OE2 GLU A 41 6.922 5.731 5.292 1.00 1.00 O ATOM 0 H GLU A 41 5.445 1.389 1.915 1.00 1.00 H new ATOM 0 HA GLU A 41 4.803 4.129 2.015 1.00 1.00 H new ATOM 0 HB2 GLU A 41 6.817 2.163 2.857 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.611 3.654 2.393 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.256 4.357 3.886 1.00 1.00 H new ATOM 0 HG3 GLU A 41 6.092 3.105 4.782 1.00 1.00 H new ATOM 643 N GLU A 42 7.071 3.425 -0.263 1.00 1.00 N ATOM 644 CA GLU A 42 7.738 4.014 -1.459 1.00 1.00 C ATOM 645 C GLU A 42 6.719 4.258 -2.578 1.00 1.00 C ATOM 646 O GLU A 42 6.989 4.971 -3.524 1.00 1.00 O ATOM 647 CB GLU A 42 8.817 3.051 -1.956 1.00 1.00 C ATOM 648 CG GLU A 42 10.138 3.806 -2.123 1.00 1.00 C ATOM 649 CD GLU A 42 10.658 4.238 -0.750 1.00 1.00 C ATOM 650 OE1 GLU A 42 10.431 3.511 0.203 1.00 1.00 O ATOM 651 OE2 GLU A 42 11.274 5.287 -0.676 1.00 1.00 O ATOM 0 H GLU A 42 7.329 2.460 -0.055 1.00 1.00 H new ATOM 0 HA GLU A 42 8.186 4.968 -1.181 1.00 1.00 H new ATOM 0 HB2 GLU A 42 8.941 2.231 -1.249 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.516 2.609 -2.906 1.00 1.00 H new ATOM 0 HG2 GLU A 42 10.872 3.170 -2.618 1.00 1.00 H new ATOM 0 HG3 GLU A 42 9.992 4.679 -2.759 1.00 1.00 H new ATOM 658 N MET A 43 5.558 3.668 -2.492 1.00 1.00 N ATOM 659 CA MET A 43 4.547 3.868 -3.562 1.00 1.00 C ATOM 660 C MET A 43 3.796 5.188 -3.340 1.00 1.00 C ATOM 661 O MET A 43 3.964 6.135 -4.082 1.00 1.00 O ATOM 662 CB MET A 43 3.555 2.705 -3.529 1.00 1.00 C ATOM 663 CG MET A 43 3.834 1.755 -4.698 1.00 1.00 C ATOM 664 SD MET A 43 5.463 0.996 -4.482 1.00 1.00 S ATOM 665 CE MET A 43 6.092 1.330 -6.147 1.00 1.00 C ATOM 0 H MET A 43 5.269 3.058 -1.728 1.00 1.00 H new ATOM 0 HA MET A 43 5.047 3.906 -4.530 1.00 1.00 H new ATOM 0 HB2 MET A 43 3.640 2.169 -2.584 1.00 1.00 H new ATOM 0 HB3 MET A 43 2.534 3.083 -3.591 1.00 1.00 H new ATOM 0 HG2 MET A 43 3.065 0.984 -4.746 1.00 1.00 H new ATOM 0 HG3 MET A 43 3.797 2.301 -5.641 1.00 1.00 H new ATOM 0 HE1 MET A 43 6.729 0.506 -6.468 1.00 1.00 H new ATOM 0 HE2 MET A 43 5.255 1.432 -6.838 1.00 1.00 H new ATOM 0 HE3 MET A 43 6.671 2.254 -6.139 1.00 1.00 H new ATOM 675 N THR A 44 2.959 5.254 -2.339 1.00 1.00 N ATOM 676 CA THR A 44 2.190 6.515 -2.093 1.00 1.00 C ATOM 677 C THR A 44 2.951 7.441 -1.147 1.00 1.00 C ATOM 678 O THR A 44 2.455 8.476 -0.750 1.00 1.00 O ATOM 679 CB THR A 44 0.819 6.194 -1.498 1.00 1.00 C ATOM 680 OG1 THR A 44 0.367 7.303 -0.733 1.00 1.00 O ATOM 681 CG2 THR A 44 0.928 4.967 -0.604 1.00 1.00 C ATOM 0 H THR A 44 2.773 4.495 -1.683 1.00 1.00 H new ATOM 0 HA THR A 44 2.060 7.020 -3.050 1.00 1.00 H new ATOM 0 HB THR A 44 0.110 5.993 -2.301 1.00 1.00 H new ATOM 0 HG1 THR A 44 0.730 8.131 -1.111 1.00 1.00 H new ATOM 0 HG21 THR A 44 -0.050 4.738 -0.180 1.00 1.00 H new ATOM 0 HG22 THR A 44 1.276 4.118 -1.192 1.00 1.00 H new ATOM 0 HG23 THR A 44 1.636 5.165 0.201 1.00 1.00 H new ATOM 689 N GLU A 45 4.147 7.084 -0.783 1.00 1.00 N ATOM 690 CA GLU A 45 4.928 7.958 0.138 1.00 1.00 C ATOM 691 C GLU A 45 4.059 8.359 1.335 1.00 1.00 C ATOM 692 O GLU A 45 4.329 9.332 2.009 1.00 1.00 O ATOM 693 CB GLU A 45 5.374 9.215 -0.611 1.00 1.00 C ATOM 694 CG GLU A 45 6.388 8.832 -1.692 1.00 1.00 C ATOM 695 CD GLU A 45 6.608 10.021 -2.628 1.00 1.00 C ATOM 696 OE1 GLU A 45 5.985 11.047 -2.408 1.00 1.00 O ATOM 697 OE2 GLU A 45 7.396 9.887 -3.549 1.00 1.00 O ATOM 0 H GLU A 45 4.618 6.230 -1.080 1.00 1.00 H new ATOM 0 HA GLU A 45 5.803 7.414 0.495 1.00 1.00 H new ATOM 0 HB2 GLU A 45 4.513 9.707 -1.063 1.00 1.00 H new ATOM 0 HB3 GLU A 45 5.819 9.927 0.084 1.00 1.00 H new ATOM 0 HG2 GLU A 45 7.332 8.537 -1.233 1.00 1.00 H new ATOM 0 HG3 GLU A 45 6.027 7.973 -2.257 1.00 1.00 H new ATOM 704 N HIS A 46 3.024 7.611 1.613 1.00 1.00 N ATOM 705 CA HIS A 46 2.149 7.943 2.774 1.00 1.00 C ATOM 706 C HIS A 46 3.054 8.275 3.972 1.00 1.00 C ATOM 707 O HIS A 46 4.106 7.686 4.121 1.00 1.00 O ATOM 708 CB HIS A 46 1.272 6.720 3.082 1.00 1.00 C ATOM 709 CG HIS A 46 0.037 7.129 3.844 1.00 1.00 C ATOM 710 ND1 HIS A 46 -1.188 7.616 3.439 1.00 1.00 N flip ATOM 711 CD2 HIS A 46 -0.028 7.043 5.224 1.00 1.00 C flip ATOM 712 CE1 HIS A 46 -1.994 7.827 4.555 1.00 1.00 C flip ATOM 713 NE2 HIS A 46 -1.246 7.465 5.602 1.00 1.00 N flip ATOM 0 H HIS A 46 2.747 6.783 1.085 1.00 1.00 H new ATOM 0 HA HIS A 46 1.506 8.797 2.560 1.00 1.00 H new ATOM 0 HB2 HIS A 46 0.986 6.228 2.152 1.00 1.00 H new ATOM 0 HB3 HIS A 46 1.841 5.995 3.664 1.00 1.00 H new ATOM 0 HD1 HIS A 46 -1.461 7.794 2.473 1.00 1.00 H new ATOM 0 HD2 HIS A 46 0.759 6.699 5.879 1.00 1.00 H new ATOM 0 HE1 HIS A 46 -3.006 8.203 4.571 1.00 1.00 H new ATOM 721 N PRO A 47 2.631 9.210 4.787 1.00 1.00 N ATOM 722 CA PRO A 47 3.409 9.629 5.968 1.00 1.00 C ATOM 723 C PRO A 47 3.446 8.513 7.010 1.00 1.00 C ATOM 724 O PRO A 47 4.481 8.219 7.574 1.00 1.00 O ATOM 725 CB PRO A 47 2.676 10.878 6.468 1.00 1.00 C ATOM 726 CG PRO A 47 1.247 10.800 5.885 1.00 1.00 C ATOM 727 CD PRO A 47 1.344 9.917 4.626 1.00 1.00 C ATOM 0 HA PRO A 47 4.455 9.842 5.746 1.00 1.00 H new ATOM 0 HB2 PRO A 47 2.651 10.905 7.557 1.00 1.00 H new ATOM 0 HB3 PRO A 47 3.182 11.785 6.138 1.00 1.00 H new ATOM 0 HG2 PRO A 47 0.554 10.371 6.609 1.00 1.00 H new ATOM 0 HG3 PRO A 47 0.873 11.793 5.636 1.00 1.00 H new ATOM 0 HD2 PRO A 47 0.510 9.219 4.562 1.00 1.00 H new ATOM 0 HD3 PRO A 47 1.328 10.516 3.716 1.00 1.00 H new ATOM 735 N SER A 48 2.345 7.856 7.247 1.00 1.00 N ATOM 736 CA SER A 48 2.361 6.739 8.215 1.00 1.00 C ATOM 737 C SER A 48 3.137 5.598 7.570 1.00 1.00 C ATOM 738 O SER A 48 3.846 4.855 8.219 1.00 1.00 O ATOM 739 CB SER A 48 0.931 6.288 8.486 1.00 1.00 C ATOM 740 OG SER A 48 0.591 6.564 9.839 1.00 1.00 O ATOM 0 H SER A 48 1.442 8.047 6.812 1.00 1.00 H new ATOM 0 HA SER A 48 2.821 7.041 9.156 1.00 1.00 H new ATOM 0 HB2 SER A 48 0.243 6.803 7.815 1.00 1.00 H new ATOM 0 HB3 SER A 48 0.832 5.221 8.286 1.00 1.00 H new ATOM 0 HG SER A 48 -0.370 6.425 9.970 1.00 1.00 H new ATOM 746 N GLY A 49 3.006 5.473 6.277 1.00 1.00 N ATOM 747 CA GLY A 49 3.720 4.405 5.541 1.00 1.00 C ATOM 748 C GLY A 49 3.248 3.053 6.040 1.00 1.00 C ATOM 749 O GLY A 49 2.137 2.631 5.789 1.00 1.00 O ATOM 0 H GLY A 49 2.425 6.077 5.696 1.00 1.00 H new ATOM 0 HA2 GLY A 49 3.533 4.497 4.471 1.00 1.00 H new ATOM 0 HA3 GLY A 49 4.796 4.504 5.686 1.00 1.00 H new ATOM 753 N SER A 50 4.091 2.371 6.746 1.00 1.00 N ATOM 754 CA SER A 50 3.709 1.034 7.276 1.00 1.00 C ATOM 755 C SER A 50 2.739 1.189 8.444 1.00 1.00 C ATOM 756 O SER A 50 2.343 0.218 9.055 1.00 1.00 O ATOM 757 CB SER A 50 4.956 0.286 7.748 1.00 1.00 C ATOM 758 OG SER A 50 6.083 1.152 7.691 1.00 1.00 O ATOM 0 H SER A 50 5.034 2.678 6.983 1.00 1.00 H new ATOM 0 HA SER A 50 3.225 0.468 6.480 1.00 1.00 H new ATOM 0 HB2 SER A 50 4.813 -0.074 8.767 1.00 1.00 H new ATOM 0 HB3 SER A 50 5.126 -0.590 7.122 1.00 1.00 H new ATOM 0 HG SER A 50 6.881 0.671 7.996 1.00 1.00 H new ATOM 764 N ASP A 51 2.331 2.390 8.754 1.00 1.00 N ATOM 765 CA ASP A 51 1.382 2.581 9.852 1.00 1.00 C ATOM 766 C ASP A 51 -0.014 2.360 9.293 1.00 1.00 C ATOM 767 O ASP A 51 -0.882 1.832 9.942 1.00 1.00 O ATOM 768 CB ASP A 51 1.493 4.018 10.323 1.00 1.00 C ATOM 769 CG ASP A 51 1.868 4.073 11.803 1.00 1.00 C ATOM 770 OD1 ASP A 51 2.386 3.088 12.301 1.00 1.00 O ATOM 771 OD2 ASP A 51 1.631 5.102 12.416 1.00 1.00 O ATOM 0 H ASP A 51 2.625 3.245 8.281 1.00 1.00 H new ATOM 0 HA ASP A 51 1.583 1.896 10.675 1.00 1.00 H new ATOM 0 HB2 ASP A 51 2.244 4.543 9.733 1.00 1.00 H new ATOM 0 HB3 ASP A 51 0.546 4.533 10.163 1.00 1.00 H new ATOM 776 N LEU A 52 -0.224 2.759 8.072 1.00 1.00 N ATOM 777 CA LEU A 52 -1.560 2.585 7.454 1.00 1.00 C ATOM 778 C LEU A 52 -2.057 1.170 7.741 1.00 1.00 C ATOM 779 O LEU A 52 -3.242 0.911 7.792 1.00 1.00 O ATOM 780 CB LEU A 52 -1.435 2.836 5.955 1.00 1.00 C ATOM 781 CG LEU A 52 -2.455 3.890 5.473 1.00 1.00 C ATOM 782 CD1 LEU A 52 -2.704 4.956 6.548 1.00 1.00 C ATOM 783 CD2 LEU A 52 -1.894 4.583 4.237 1.00 1.00 C ATOM 0 H LEU A 52 0.476 3.199 7.475 1.00 1.00 H new ATOM 0 HA LEU A 52 -2.280 3.291 7.868 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -0.425 3.173 5.724 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -1.591 1.903 5.414 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.395 3.384 5.254 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.427 5.684 6.178 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -3.095 4.481 7.448 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -1.767 5.462 6.783 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -2.605 5.331 3.885 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.951 5.068 4.489 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.725 3.846 3.452 1.00 1.00 H new ATOM 795 N ILE A 53 -1.150 0.261 7.962 1.00 1.00 N ATOM 796 CA ILE A 53 -1.548 -1.132 8.286 1.00 1.00 C ATOM 797 C ILE A 53 -1.262 -1.372 9.772 1.00 1.00 C ATOM 798 O ILE A 53 -2.037 -1.983 10.478 1.00 1.00 O ATOM 799 CB ILE A 53 -0.721 -2.102 7.437 1.00 1.00 C ATOM 800 CG1 ILE A 53 -0.772 -1.663 5.974 1.00 1.00 C ATOM 801 CG2 ILE A 53 -1.288 -3.518 7.562 1.00 1.00 C ATOM 802 CD1 ILE A 53 0.652 -1.574 5.423 1.00 1.00 C ATOM 0 H ILE A 53 -0.144 0.427 7.931 1.00 1.00 H new ATOM 0 HA ILE A 53 -2.606 -1.290 8.076 1.00 1.00 H new ATOM 0 HB ILE A 53 0.311 -2.097 7.788 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -1.357 -2.373 5.389 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -1.268 -0.696 5.890 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -0.695 -4.202 6.955 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -1.252 -3.833 8.605 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -2.321 -3.528 7.215 1.00 1.00 H new ATOM 0 HD11 ILE A 53 0.619 -1.261 4.379 1.00 1.00 H new ATOM 0 HD12 ILE A 53 1.221 -0.847 6.002 1.00 1.00 H new ATOM 0 HD13 ILE A 53 1.131 -2.550 5.494 1.00 1.00 H new ATOM 814 N TYR A 54 -0.151 -0.873 10.246 1.00 1.00 N ATOM 815 CA TYR A 54 0.208 -1.037 11.684 1.00 1.00 C ATOM 816 C TYR A 54 -0.258 0.189 12.462 1.00 1.00 C ATOM 817 O TYR A 54 0.342 0.584 13.443 1.00 1.00 O ATOM 818 CB TYR A 54 1.719 -1.162 11.826 1.00 1.00 C ATOM 819 CG TYR A 54 2.231 -2.253 10.917 1.00 1.00 C ATOM 820 CD1 TYR A 54 1.503 -3.440 10.764 1.00 1.00 C ATOM 821 CD2 TYR A 54 3.434 -2.077 10.223 1.00 1.00 C ATOM 822 CE1 TYR A 54 1.980 -4.449 9.918 1.00 1.00 C ATOM 823 CE2 TYR A 54 3.910 -3.085 9.378 1.00 1.00 C ATOM 824 CZ TYR A 54 3.182 -4.272 9.225 1.00 1.00 C ATOM 825 OH TYR A 54 3.652 -5.265 8.390 1.00 1.00 O ATOM 0 H TYR A 54 0.530 -0.353 9.692 1.00 1.00 H new ATOM 0 HA TYR A 54 -0.273 -1.934 12.073 1.00 1.00 H new ATOM 0 HB2 TYR A 54 2.196 -0.214 11.576 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.979 -1.387 12.861 1.00 1.00 H new ATOM 0 HD1 TYR A 54 0.574 -3.577 11.298 1.00 1.00 H new ATOM 0 HD2 TYR A 54 3.995 -1.162 10.340 1.00 1.00 H new ATOM 0 HE1 TYR A 54 1.419 -5.365 9.801 1.00 1.00 H new ATOM 0 HE2 TYR A 54 4.839 -2.948 8.844 1.00 1.00 H new ATOM 0 HH TYR A 54 4.498 -4.980 7.986 1.00 1.00 H new ATOM 835 N TYR A 55 -1.304 0.807 12.019 1.00 1.00 N ATOM 836 CA TYR A 55 -1.800 2.028 12.706 1.00 1.00 C ATOM 837 C TYR A 55 -3.258 2.273 12.314 1.00 1.00 C ATOM 838 O TYR A 55 -3.574 3.276 11.703 1.00 1.00 O ATOM 839 CB TYR A 55 -0.950 3.242 12.292 1.00 1.00 C ATOM 840 CG TYR A 55 -0.421 3.926 13.531 1.00 1.00 C ATOM 841 CD1 TYR A 55 0.668 3.384 14.227 1.00 1.00 C ATOM 842 CD2 TYR A 55 -1.023 5.105 13.986 1.00 1.00 C ATOM 843 CE1 TYR A 55 1.151 4.020 15.376 1.00 1.00 C ATOM 844 CE2 TYR A 55 -0.538 5.742 15.134 1.00 1.00 C ATOM 845 CZ TYR A 55 0.548 5.199 15.828 1.00 1.00 C ATOM 846 OH TYR A 55 1.025 5.825 16.962 1.00 1.00 O ATOM 0 H TYR A 55 -1.845 0.520 11.203 1.00 1.00 H new ATOM 0 HA TYR A 55 -1.727 1.889 13.785 1.00 1.00 H new ATOM 0 HB2 TYR A 55 -0.123 2.922 11.658 1.00 1.00 H new ATOM 0 HB3 TYR A 55 -1.550 3.938 11.706 1.00 1.00 H new ATOM 0 HD1 TYR A 55 1.135 2.475 13.876 1.00 1.00 H new ATOM 0 HD2 TYR A 55 -1.862 5.523 13.451 1.00 1.00 H new ATOM 0 HE1 TYR A 55 1.989 3.601 15.914 1.00 1.00 H new ATOM 0 HE2 TYR A 55 -1.002 6.652 15.484 1.00 1.00 H new ATOM 0 HH TYR A 55 0.496 6.631 17.138 1.00 1.00 H new ATOM 856 N PRO A 56 -4.100 1.347 12.680 1.00 1.00 N ATOM 857 CA PRO A 56 -5.542 1.419 12.386 1.00 1.00 C ATOM 858 C PRO A 56 -6.231 2.399 13.342 1.00 1.00 C ATOM 859 O PRO A 56 -6.244 2.210 14.541 1.00 1.00 O ATOM 860 CB PRO A 56 -6.025 -0.016 12.616 1.00 1.00 C ATOM 861 CG PRO A 56 -4.986 -0.686 13.546 1.00 1.00 C ATOM 862 CD PRO A 56 -3.689 0.141 13.424 1.00 1.00 C ATOM 0 HA PRO A 56 -5.763 1.777 11.380 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -7.015 -0.024 13.072 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -6.105 -0.555 11.672 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -5.341 -0.701 14.577 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -4.814 -1.722 13.253 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -3.285 0.395 14.404 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -2.913 -0.410 12.893 1.00 1.00 H new ATOM 938 N ASP A 62 -8.169 -2.250 10.158 1.00 1.00 N ATOM 939 CA ASP A 62 -6.784 -2.443 9.643 1.00 1.00 C ATOM 940 C ASP A 62 -6.812 -3.313 8.388 1.00 1.00 C ATOM 941 O ASP A 62 -5.786 -3.671 7.847 1.00 1.00 O ATOM 942 CB ASP A 62 -5.939 -3.115 10.702 1.00 1.00 C ATOM 943 CG ASP A 62 -4.667 -2.302 10.960 1.00 1.00 C ATOM 944 OD1 ASP A 62 -4.546 -1.227 10.397 1.00 1.00 O ATOM 945 OD2 ASP A 62 -3.834 -2.771 11.717 1.00 1.00 O ATOM 0 HA ASP A 62 -6.357 -1.471 9.397 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -6.510 -3.213 11.625 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -5.676 -4.123 10.382 1.00 1.00 H new ATOM 950 N SER A 63 -7.979 -3.656 7.918 1.00 1.00 N ATOM 951 CA SER A 63 -8.067 -4.501 6.695 1.00 1.00 C ATOM 952 C SER A 63 -7.141 -3.925 5.620 1.00 1.00 C ATOM 953 O SER A 63 -6.693 -2.804 5.732 1.00 1.00 O ATOM 954 CB SER A 63 -9.506 -4.505 6.178 1.00 1.00 C ATOM 955 OG SER A 63 -10.215 -5.583 6.773 1.00 1.00 O ATOM 0 H SER A 63 -8.874 -3.388 8.327 1.00 1.00 H new ATOM 0 HA SER A 63 -7.766 -5.521 6.932 1.00 1.00 H new ATOM 0 HB2 SER A 63 -9.993 -3.559 6.416 1.00 1.00 H new ATOM 0 HB3 SER A 63 -9.514 -4.604 5.093 1.00 1.00 H new ATOM 0 HG SER A 63 -11.139 -5.588 6.445 1.00 1.00 H new ATOM 961 N PRO A 64 -6.886 -4.711 4.610 1.00 1.00 N ATOM 962 CA PRO A 64 -6.016 -4.304 3.493 1.00 1.00 C ATOM 963 C PRO A 64 -6.769 -3.352 2.561 1.00 1.00 C ATOM 964 O PRO A 64 -6.284 -2.293 2.218 1.00 1.00 O ATOM 965 CB PRO A 64 -5.689 -5.626 2.792 1.00 1.00 C ATOM 966 CG PRO A 64 -6.808 -6.618 3.187 1.00 1.00 C ATOM 967 CD PRO A 64 -7.440 -6.074 4.482 1.00 1.00 C ATOM 0 HA PRO A 64 -5.120 -3.771 3.811 1.00 1.00 H new ATOM 0 HB2 PRO A 64 -5.651 -5.493 1.711 1.00 1.00 H new ATOM 0 HB3 PRO A 64 -4.713 -5.999 3.102 1.00 1.00 H new ATOM 0 HG2 PRO A 64 -7.553 -6.697 2.395 1.00 1.00 H new ATOM 0 HG3 PRO A 64 -6.402 -7.618 3.344 1.00 1.00 H new ATOM 0 HD2 PRO A 64 -8.528 -6.057 4.418 1.00 1.00 H new ATOM 0 HD3 PRO A 64 -7.181 -6.692 5.342 1.00 1.00 H new ATOM 975 N SER A 65 -7.948 -3.722 2.148 1.00 1.00 N ATOM 976 CA SER A 65 -8.731 -2.842 1.235 1.00 1.00 C ATOM 977 C SER A 65 -9.016 -1.499 1.914 1.00 1.00 C ATOM 978 O SER A 65 -9.128 -0.482 1.261 1.00 1.00 O ATOM 979 CB SER A 65 -10.054 -3.522 0.884 1.00 1.00 C ATOM 980 OG SER A 65 -10.450 -3.131 -0.426 1.00 1.00 O ATOM 0 H SER A 65 -8.405 -4.597 2.403 1.00 1.00 H new ATOM 0 HA SER A 65 -8.153 -2.668 0.327 1.00 1.00 H new ATOM 0 HB2 SER A 65 -9.944 -4.605 0.935 1.00 1.00 H new ATOM 0 HB3 SER A 65 -10.822 -3.245 1.606 1.00 1.00 H new ATOM 0 HG SER A 65 -10.596 -2.162 -0.448 1.00 1.00 H new ATOM 986 N GLY A 66 -9.162 -1.483 3.212 1.00 1.00 N ATOM 987 CA GLY A 66 -9.462 -0.218 3.907 1.00 1.00 C ATOM 988 C GLY A 66 -8.211 0.644 4.026 1.00 1.00 C ATOM 989 O GLY A 66 -8.277 1.834 4.262 1.00 1.00 O ATOM 0 H GLY A 66 -9.084 -2.301 3.816 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -10.234 0.327 3.363 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -9.860 -0.429 4.900 1.00 1.00 H new ATOM 993 N ILE A 67 -7.078 0.052 3.849 1.00 1.00 N ATOM 994 CA ILE A 67 -5.805 0.826 3.935 1.00 1.00 C ATOM 995 C ILE A 67 -5.481 1.364 2.543 1.00 1.00 C ATOM 996 O ILE A 67 -4.974 2.456 2.382 1.00 1.00 O ATOM 997 CB ILE A 67 -4.681 -0.083 4.433 1.00 1.00 C ATOM 998 CG1 ILE A 67 -5.027 -0.579 5.839 1.00 1.00 C ATOM 999 CG2 ILE A 67 -3.369 0.700 4.487 1.00 1.00 C ATOM 1000 CD1 ILE A 67 -4.197 -1.820 6.169 1.00 1.00 C ATOM 0 H ILE A 67 -6.967 -0.942 3.646 1.00 1.00 H new ATOM 0 HA ILE A 67 -5.908 1.655 4.636 1.00 1.00 H new ATOM 0 HB ILE A 67 -4.570 -0.929 3.754 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -4.831 0.206 6.570 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -6.090 -0.814 5.901 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -2.571 0.048 4.842 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -3.122 1.066 3.490 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -3.477 1.545 5.167 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -4.447 -2.169 7.171 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -4.415 -2.606 5.446 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -3.137 -1.571 6.126 1.00 1.00 H new ATOM 1012 N VAL A 68 -5.816 0.610 1.539 1.00 1.00 N ATOM 1013 CA VAL A 68 -5.592 1.053 0.134 1.00 1.00 C ATOM 1014 C VAL A 68 -6.700 2.034 -0.181 1.00 1.00 C ATOM 1015 O VAL A 68 -6.547 2.950 -0.962 1.00 1.00 O ATOM 1016 CB VAL A 68 -5.679 -0.170 -0.783 1.00 1.00 C ATOM 1017 CG1 VAL A 68 -4.864 0.054 -2.058 1.00 1.00 C ATOM 1018 CG2 VAL A 68 -5.134 -1.390 -0.033 1.00 1.00 C ATOM 0 H VAL A 68 -6.243 -0.312 1.631 1.00 1.00 H new ATOM 0 HA VAL A 68 -4.616 1.518 -0.007 1.00 1.00 H new ATOM 0 HB VAL A 68 -6.719 -0.334 -1.064 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -4.938 -0.826 -2.697 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -5.252 0.922 -2.590 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -3.820 0.226 -1.797 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -5.191 -2.268 -0.676 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -4.096 -1.211 0.246 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -5.727 -1.560 0.865 1.00 1.00 H new ATOM 1028 N ASN A 69 -7.803 1.882 0.481 1.00 1.00 N ATOM 1029 CA ASN A 69 -8.905 2.847 0.291 1.00 1.00 C ATOM 1030 C ASN A 69 -8.442 4.129 0.977 1.00 1.00 C ATOM 1031 O ASN A 69 -8.780 5.230 0.587 1.00 1.00 O ATOM 1032 CB ASN A 69 -10.183 2.325 0.954 1.00 1.00 C ATOM 1033 CG ASN A 69 -11.233 3.436 0.985 1.00 1.00 C ATOM 1034 OD1 ASN A 69 -11.494 4.069 -0.019 1.00 1.00 O ATOM 1035 ND2 ASN A 69 -11.850 3.704 2.104 1.00 1.00 N ATOM 0 H ASN A 69 -7.989 1.131 1.146 1.00 1.00 H new ATOM 0 HA ASN A 69 -9.129 3.008 -0.764 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -10.565 1.465 0.404 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -9.967 1.986 1.967 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -12.551 4.444 2.135 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -11.631 3.173 2.947 1.00 1.00 H new ATOM 1042 N THR A 70 -7.631 3.968 1.995 1.00 1.00 N ATOM 1043 CA THR A 70 -7.086 5.135 2.725 1.00 1.00 C ATOM 1044 C THR A 70 -6.162 5.909 1.777 1.00 1.00 C ATOM 1045 O THR A 70 -6.415 7.051 1.477 1.00 1.00 O ATOM 1046 CB THR A 70 -6.329 4.632 3.973 1.00 1.00 C ATOM 1047 OG1 THR A 70 -7.054 5.002 5.137 1.00 1.00 O ATOM 1048 CG2 THR A 70 -4.920 5.228 4.048 1.00 1.00 C ATOM 0 H THR A 70 -7.325 3.062 2.349 1.00 1.00 H new ATOM 0 HA THR A 70 -7.881 5.803 3.057 1.00 1.00 H new ATOM 0 HB THR A 70 -6.239 3.548 3.906 1.00 1.00 H new ATOM 0 HG1 THR A 70 -6.579 4.684 5.933 1.00 1.00 H new ATOM 0 HG21 THR A 70 -4.414 4.854 4.938 1.00 1.00 H new ATOM 0 HG22 THR A 70 -4.355 4.940 3.161 1.00 1.00 H new ATOM 0 HG23 THR A 70 -4.987 6.315 4.098 1.00 1.00 H new ATOM 1056 N VAL A 71 -5.101 5.298 1.295 1.00 1.00 N ATOM 1057 CA VAL A 71 -4.193 6.029 0.360 1.00 1.00 C ATOM 1058 C VAL A 71 -5.030 6.641 -0.744 1.00 1.00 C ATOM 1059 O VAL A 71 -4.862 7.780 -1.111 1.00 1.00 O ATOM 1060 CB VAL A 71 -3.162 5.085 -0.261 1.00 1.00 C ATOM 1061 CG1 VAL A 71 -3.814 4.246 -1.345 1.00 1.00 C ATOM 1062 CG2 VAL A 71 -2.025 5.917 -0.881 1.00 1.00 C ATOM 0 H VAL A 71 -4.831 4.338 1.507 1.00 1.00 H new ATOM 0 HA VAL A 71 -3.660 6.799 0.918 1.00 1.00 H new ATOM 0 HB VAL A 71 -2.765 4.427 0.512 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -3.073 3.577 -1.782 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -4.624 3.658 -0.913 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -4.214 4.900 -2.120 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -1.287 5.250 -1.325 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -2.432 6.572 -1.651 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -1.550 6.519 -0.106 1.00 1.00 H new ATOM 1072 N LYS A 72 -5.926 5.875 -1.280 1.00 1.00 N ATOM 1073 CA LYS A 72 -6.793 6.400 -2.376 1.00 1.00 C ATOM 1074 C LYS A 72 -7.197 7.839 -2.045 1.00 1.00 C ATOM 1075 O LYS A 72 -7.109 8.726 -2.871 1.00 1.00 O ATOM 1076 CB LYS A 72 -8.048 5.532 -2.497 1.00 1.00 C ATOM 1077 CG LYS A 72 -7.836 4.467 -3.573 1.00 1.00 C ATOM 1078 CD LYS A 72 -9.059 3.550 -3.630 1.00 1.00 C ATOM 1079 CE LYS A 72 -10.289 4.364 -4.036 1.00 1.00 C ATOM 1080 NZ LYS A 72 -11.502 3.502 -3.955 1.00 1.00 N ATOM 0 H LYS A 72 -6.102 4.907 -1.012 1.00 1.00 H new ATOM 0 HA LYS A 72 -6.248 6.377 -3.320 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -8.267 5.058 -1.540 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -8.908 6.152 -2.750 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -7.677 4.940 -4.542 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -6.941 3.885 -3.352 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -8.890 2.745 -4.345 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -9.223 3.084 -2.658 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -10.399 5.228 -3.381 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -10.168 4.746 -5.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -12.339 4.054 -4.231 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -11.395 2.691 -4.597 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -11.619 3.159 -2.980 1.00 1.00 H new ATOM 1094 N GLN A 73 -7.615 8.080 -0.832 1.00 1.00 N ATOM 1095 CA GLN A 73 -7.997 9.462 -0.437 1.00 1.00 C ATOM 1096 C GLN A 73 -6.726 10.247 -0.101 1.00 1.00 C ATOM 1097 O GLN A 73 -6.661 11.446 -0.279 1.00 1.00 O ATOM 1098 CB GLN A 73 -8.916 9.416 0.786 1.00 1.00 C ATOM 1099 CG GLN A 73 -10.373 9.302 0.329 1.00 1.00 C ATOM 1100 CD GLN A 73 -11.208 10.393 1.004 1.00 1.00 C ATOM 1101 OE1 GLN A 73 -10.752 11.037 1.928 1.00 1.00 O ATOM 1102 NE2 GLN A 73 -12.419 10.630 0.580 1.00 1.00 N ATOM 0 H GLN A 73 -7.708 7.378 -0.098 1.00 1.00 H new ATOM 0 HA GLN A 73 -8.526 9.948 -1.256 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -8.655 8.567 1.418 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -8.782 10.315 1.388 1.00 1.00 H new ATOM 0 HG2 GLN A 73 -10.434 9.401 -0.755 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -10.768 8.318 0.582 1.00 1.00 H new ATOM 0 HE21 GLN A 73 -12.803 10.090 -0.196 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -12.982 11.355 1.024 1.00 1.00 H new ATOM 1111 N TRP A 74 -5.709 9.573 0.372 1.00 1.00 N ATOM 1112 CA TRP A 74 -4.441 10.264 0.700 1.00 1.00 C ATOM 1113 C TRP A 74 -3.970 11.018 -0.537 1.00 1.00 C ATOM 1114 O TRP A 74 -3.905 12.219 -0.544 1.00 1.00 O ATOM 1115 CB TRP A 74 -3.388 9.226 1.098 1.00 1.00 C ATOM 1116 CG TRP A 74 -2.141 9.918 1.540 1.00 1.00 C ATOM 1117 CD1 TRP A 74 -1.917 10.396 2.784 1.00 1.00 C ATOM 1118 CD2 TRP A 74 -0.944 10.216 0.765 1.00 1.00 C ATOM 1119 NE1 TRP A 74 -0.659 10.968 2.823 1.00 1.00 N ATOM 1120 CE2 TRP A 74 -0.020 10.883 1.602 1.00 1.00 C ATOM 1121 CE3 TRP A 74 -0.576 9.974 -0.571 1.00 1.00 C ATOM 1122 CZ2 TRP A 74 1.228 11.295 1.131 1.00 1.00 C ATOM 1123 CZ3 TRP A 74 0.678 10.389 -1.050 1.00 1.00 C ATOM 1124 CH2 TRP A 74 1.579 11.048 -0.200 1.00 1.00 C ATOM 0 H TRP A 74 -5.710 8.568 0.544 1.00 1.00 H new ATOM 0 HA TRP A 74 -4.591 10.958 1.527 1.00 1.00 H new ATOM 0 HB2 TRP A 74 -3.770 8.596 1.901 1.00 1.00 H new ATOM 0 HB3 TRP A 74 -3.172 8.571 0.254 1.00 1.00 H new ATOM 0 HD1 TRP A 74 -2.608 10.340 3.612 1.00 1.00 H new ATOM 0 HE1 TRP A 74 -0.252 11.400 3.653 1.00 1.00 H new ATOM 0 HE3 TRP A 74 -1.262 9.466 -1.233 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 1.918 11.801 1.790 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 0.950 10.200 -2.078 1.00 1.00 H new ATOM 0 HH2 TRP A 74 2.542 11.364 -0.573 1.00 1.00 H new ATOM 1135 N ARG A 75 -3.654 10.320 -1.589 1.00 1.00 N ATOM 1136 CA ARG A 75 -3.193 10.997 -2.826 1.00 1.00 C ATOM 1137 C ARG A 75 -4.024 12.246 -3.107 1.00 1.00 C ATOM 1138 O ARG A 75 -3.593 13.135 -3.802 1.00 1.00 O ATOM 1139 CB ARG A 75 -3.350 10.024 -3.998 1.00 1.00 C ATOM 1140 CG ARG A 75 -2.104 10.044 -4.837 1.00 1.00 C ATOM 1141 CD ARG A 75 -1.124 9.027 -4.275 1.00 1.00 C ATOM 1142 NE ARG A 75 -0.668 8.231 -5.412 1.00 1.00 N ATOM 1143 CZ ARG A 75 0.600 8.018 -5.611 1.00 1.00 C ATOM 1144 NH1 ARG A 75 1.202 7.059 -4.978 1.00 1.00 N ATOM 1145 NH2 ARG A 75 1.264 8.762 -6.449 1.00 1.00 N ATOM 0 H ARG A 75 -3.696 9.302 -1.644 1.00 1.00 H new ATOM 0 HA ARG A 75 -2.152 11.294 -2.700 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -3.534 9.016 -3.626 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -4.213 10.303 -4.603 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -2.342 9.807 -5.874 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -1.660 11.040 -4.832 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -0.286 9.523 -3.786 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -1.603 8.397 -3.526 1.00 1.00 H new ATOM 0 HE ARG A 75 -1.352 7.837 -6.058 1.00 1.00 H new ATOM 0 HH11 ARG A 75 0.681 6.473 -4.325 1.00 1.00 H new ATOM 0 HH12 ARG A 75 2.196 6.891 -5.133 1.00 1.00 H new ATOM 0 HH21 ARG A 75 0.790 9.513 -6.950 1.00 1.00 H new ATOM 0 HH22 ARG A 75 2.258 8.594 -6.604 1.00 1.00 H new ATOM 1159 N ALA A 76 -5.210 12.338 -2.606 1.00 1.00 N ATOM 1160 CA ALA A 76 -5.989 13.559 -2.907 1.00 1.00 C ATOM 1161 C ALA A 76 -5.568 14.663 -1.948 1.00 1.00 C ATOM 1162 O ALA A 76 -5.336 15.791 -2.336 1.00 1.00 O ATOM 1163 CB ALA A 76 -7.486 13.267 -2.774 1.00 1.00 C ATOM 0 H ALA A 76 -5.668 11.643 -2.016 1.00 1.00 H new ATOM 0 HA ALA A 76 -5.795 13.882 -3.930 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -8.054 14.170 -2.997 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -7.767 12.480 -3.474 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -7.704 12.943 -1.757 1.00 1.00 H new ATOM 1169 N ALA A 77 -5.432 14.331 -0.709 1.00 1.00 N ATOM 1170 CA ALA A 77 -4.982 15.332 0.293 1.00 1.00 C ATOM 1171 C ALA A 77 -3.569 15.755 -0.074 1.00 1.00 C ATOM 1172 O ALA A 77 -3.244 16.923 -0.155 1.00 1.00 O ATOM 1173 CB ALA A 77 -4.950 14.679 1.662 1.00 1.00 C ATOM 0 H ALA A 77 -5.614 13.399 -0.336 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.655 16.189 0.307 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -4.621 15.406 2.404 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -5.948 14.324 1.919 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -4.258 13.837 1.647 1.00 1.00 H new ATOM 1179 N ASN A 78 -2.735 14.787 -0.313 1.00 1.00 N ATOM 1180 CA ASN A 78 -1.354 15.047 -0.697 1.00 1.00 C ATOM 1181 C ASN A 78 -1.329 15.441 -2.168 1.00 1.00 C ATOM 1182 O ASN A 78 -0.292 15.730 -2.734 1.00 1.00 O ATOM 1183 CB ASN A 78 -0.579 13.765 -0.459 1.00 1.00 C ATOM 1184 CG ASN A 78 -0.321 13.613 1.033 1.00 1.00 C ATOM 1185 OD1 ASN A 78 -1.297 13.220 1.800 1.00 1.00 O flip ATOM 1186 ND2 ASN A 78 0.772 13.853 1.506 1.00 1.00 N flip ATOM 0 H ASN A 78 -2.977 13.798 -0.252 1.00 1.00 H new ATOM 0 HA ASN A 78 -0.909 15.857 -0.120 1.00 1.00 H new ATOM 0 HB2 ASN A 78 -1.142 12.910 -0.833 1.00 1.00 H new ATOM 0 HB3 ASN A 78 0.365 13.789 -1.004 1.00 1.00 H new ATOM 0 HD21 ASN A 78 1.533 14.161 0.901 1.00 1.00 H new ATOM 0 HD22 ASN A 78 0.928 13.747 2.508 1.00 1.00 H new ATOM 1193 N GLY A 79 -2.482 15.472 -2.786 1.00 1.00 N ATOM 1194 CA GLY A 79 -2.550 15.864 -4.219 1.00 1.00 C ATOM 1195 C GLY A 79 -1.416 15.191 -4.982 1.00 1.00 C ATOM 1196 O GLY A 79 -0.769 15.793 -5.815 1.00 1.00 O ATOM 0 H GLY A 79 -3.378 15.242 -2.357 1.00 1.00 H new ATOM 0 HA2 GLY A 79 -3.511 15.572 -4.642 1.00 1.00 H new ATOM 0 HA3 GLY A 79 -2.475 16.947 -4.315 1.00 1.00 H new ATOM 1200 N LYS A 80 -1.167 13.945 -4.700 1.00 1.00 N ATOM 1201 CA LYS A 80 -0.077 13.232 -5.400 1.00 1.00 C ATOM 1202 C LYS A 80 -0.555 12.835 -6.804 1.00 1.00 C ATOM 1203 O LYS A 80 -1.442 13.456 -7.355 1.00 1.00 O ATOM 1204 CB LYS A 80 0.291 11.994 -4.585 1.00 1.00 C ATOM 1205 CG LYS A 80 1.646 12.207 -3.942 1.00 1.00 C ATOM 1206 CD LYS A 80 1.657 13.519 -3.158 1.00 1.00 C ATOM 1207 CE LYS A 80 2.660 13.412 -2.006 1.00 1.00 C ATOM 1208 NZ LYS A 80 3.624 14.546 -2.081 1.00 1.00 N ATOM 0 H LYS A 80 -1.676 13.391 -4.011 1.00 1.00 H new ATOM 0 HA LYS A 80 0.801 13.870 -5.501 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -0.463 11.810 -3.820 1.00 1.00 H new ATOM 0 HB3 LYS A 80 0.314 11.114 -5.228 1.00 1.00 H new ATOM 0 HG2 LYS A 80 1.876 11.375 -3.276 1.00 1.00 H new ATOM 0 HG3 LYS A 80 2.421 12.226 -4.708 1.00 1.00 H new ATOM 0 HD2 LYS A 80 1.927 14.346 -3.815 1.00 1.00 H new ATOM 0 HD3 LYS A 80 0.661 13.732 -2.770 1.00 1.00 H new ATOM 0 HE2 LYS A 80 2.136 13.429 -1.050 1.00 1.00 H new ATOM 0 HE3 LYS A 80 3.193 12.463 -2.061 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 4.306 14.474 -1.299 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 4.132 14.510 -2.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 3.108 15.446 -2.009 1.00 1.00 H new ATOM 1222 N SER A 81 0.027 11.830 -7.403 1.00 1.00 N ATOM 1223 CA SER A 81 -0.402 11.440 -8.777 1.00 1.00 C ATOM 1224 C SER A 81 -1.645 10.548 -8.717 1.00 1.00 C ATOM 1225 O SER A 81 -2.736 10.966 -9.048 1.00 1.00 O ATOM 1226 CB SER A 81 0.736 10.690 -9.471 1.00 1.00 C ATOM 1227 OG SER A 81 0.552 10.759 -10.879 1.00 1.00 O ATOM 0 H SER A 81 0.776 11.266 -7.003 1.00 1.00 H new ATOM 0 HA SER A 81 -0.646 12.341 -9.340 1.00 1.00 H new ATOM 0 HB2 SER A 81 1.696 11.127 -9.196 1.00 1.00 H new ATOM 0 HB3 SER A 81 0.754 9.650 -9.145 1.00 1.00 H new ATOM 0 HG SER A 81 1.280 10.281 -11.328 1.00 1.00 H new ATOM 1233 N GLY A 82 -1.491 9.316 -8.309 1.00 1.00 N ATOM 1234 CA GLY A 82 -2.665 8.401 -8.248 1.00 1.00 C ATOM 1235 C GLY A 82 -2.257 7.023 -8.755 1.00 1.00 C ATOM 1236 O GLY A 82 -1.107 6.780 -9.061 1.00 1.00 O ATOM 0 H GLY A 82 -0.604 8.906 -8.016 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -3.033 8.330 -7.224 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -3.481 8.797 -8.853 1.00 1.00 H new ATOM 1240 N PHE A 83 -3.188 6.119 -8.844 1.00 1.00 N ATOM 1241 CA PHE A 83 -2.879 4.773 -9.315 1.00 1.00 C ATOM 1242 C PHE A 83 -2.772 4.784 -10.835 1.00 1.00 C ATOM 1243 O PHE A 83 -2.931 5.803 -11.478 1.00 1.00 O ATOM 1244 CB PHE A 83 -4.029 3.877 -8.889 1.00 1.00 C ATOM 1245 CG PHE A 83 -4.035 3.745 -7.386 1.00 1.00 C ATOM 1246 CD1 PHE A 83 -3.110 2.907 -6.753 1.00 1.00 C ATOM 1247 CD2 PHE A 83 -4.966 4.464 -6.625 1.00 1.00 C ATOM 1248 CE1 PHE A 83 -3.117 2.787 -5.359 1.00 1.00 C ATOM 1249 CE2 PHE A 83 -4.971 4.345 -5.231 1.00 1.00 C ATOM 1250 CZ PHE A 83 -4.047 3.506 -4.598 1.00 1.00 C ATOM 0 H PHE A 83 -4.167 6.274 -8.602 1.00 1.00 H new ATOM 0 HA PHE A 83 -1.936 4.416 -8.901 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -4.976 4.295 -9.232 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -3.929 2.895 -9.350 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -2.392 2.354 -7.340 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -5.680 5.110 -7.114 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -2.405 2.139 -4.870 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -5.687 4.900 -4.644 1.00 1.00 H new ATOM 0 HZ PHE A 83 -4.051 3.413 -3.522 1.00 1.00 H new ATOM 1260 N LYS A 84 -2.502 3.657 -11.405 1.00 1.00 N ATOM 1261 CA LYS A 84 -2.377 3.571 -12.883 1.00 1.00 C ATOM 1262 C LYS A 84 -3.706 3.943 -13.532 1.00 1.00 C ATOM 1263 O LYS A 84 -4.725 4.062 -12.881 1.00 1.00 O ATOM 1264 CB LYS A 84 -1.968 2.144 -13.272 1.00 1.00 C ATOM 1265 CG LYS A 84 -2.434 1.794 -14.688 1.00 1.00 C ATOM 1266 CD LYS A 84 -2.067 0.342 -15.000 1.00 1.00 C ATOM 1267 CE LYS A 84 -2.944 -0.173 -16.141 1.00 1.00 C ATOM 1268 NZ LYS A 84 -3.246 -1.617 -15.925 1.00 1.00 N ATOM 0 H LYS A 84 -2.360 2.777 -10.909 1.00 1.00 H new ATOM 0 HA LYS A 84 -1.614 4.266 -13.233 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -0.884 2.045 -13.209 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -2.394 1.436 -12.562 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -3.512 1.935 -14.773 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -1.967 2.462 -15.412 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -1.015 0.273 -15.277 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -2.205 -0.277 -14.114 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -3.870 0.400 -16.189 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -2.435 -0.036 -17.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -3.843 -1.967 -16.702 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -2.358 -2.158 -15.900 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -3.748 -1.735 -15.022 1.00 1.00 H new