USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 508 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 4 ASN : amide:sc= 0.0103 X(o=0.01,f=0.38) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 166:sc= -0.526 (180deg=-1.39) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -80:sc= -0.139 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00437 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.056 (180deg=-0.376) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0434 (180deg=-0.33) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0124 F(o=-1.1!,f=-0.012) USER MOD Single : A 28 TYR OH : rot -119:sc= 0.833 USER MOD Single : A 30 HIS :FLIP no HE2:sc= -3.78! C(o=-4.9!,f=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -3.86! C(o=-3.9!,f=-15!) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.8 (180deg=-1.17) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.07 (180deg=-0.53) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.4 K(o=0.4,f=-4!) USER MOD Single : A 54 ASN : amide:sc= -0.0826 X(o=-0.083,f=0.053!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 25:sc= -2.65! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -13.680 -3.069 -1.970 1.00 0.00 N ATOM 21 CA ALA A 2 -12.620 -2.275 -1.366 1.00 0.00 C ATOM 22 C ALA A 2 -11.963 -3.066 -0.248 1.00 0.00 C ATOM 23 O ALA A 2 -12.619 -3.444 0.723 1.00 0.00 O ATOM 24 CB ALA A 2 -13.169 -0.959 -0.839 1.00 0.00 C ATOM 0 HA ALA A 2 -11.873 -2.047 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.361 -0.381 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.609 -0.393 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.932 -1.158 -0.087 1.00 0.00 H new ATOM 30 N MET A 3 -10.678 -3.335 -0.391 1.00 0.00 N ATOM 31 CA MET A 3 -9.971 -4.164 0.571 1.00 0.00 C ATOM 32 C MET A 3 -8.979 -3.334 1.375 1.00 0.00 C ATOM 33 O MET A 3 -8.456 -2.328 0.890 1.00 0.00 O ATOM 34 CB MET A 3 -9.249 -5.311 -0.140 1.00 0.00 C ATOM 35 CG MET A 3 -10.173 -6.176 -0.985 1.00 0.00 C ATOM 36 SD MET A 3 -9.313 -7.541 -1.800 1.00 0.00 S ATOM 37 CE MET A 3 -8.883 -8.568 -0.397 1.00 0.00 C ATOM 0 H MET A 3 -10.103 -2.993 -1.161 1.00 0.00 H new ATOM 0 HA MET A 3 -10.704 -4.585 1.260 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.467 -4.898 -0.777 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.757 -5.937 0.604 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.964 -6.578 -0.352 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.654 -5.554 -1.740 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.575 -9.553 -0.748 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.064 -8.106 0.154 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.748 -8.671 0.258 1.00 0.00 H new ATOM 47 N ASN A 4 -8.734 -3.756 2.605 1.00 0.00 N ATOM 48 CA ASN A 4 -7.799 -3.067 3.484 1.00 0.00 C ATOM 49 C ASN A 4 -6.490 -3.834 3.578 1.00 0.00 C ATOM 50 O ASN A 4 -6.446 -5.034 3.304 1.00 0.00 O ATOM 51 CB ASN A 4 -8.388 -2.899 4.887 1.00 0.00 C ATOM 52 CG ASN A 4 -9.433 -1.804 4.970 1.00 0.00 C ATOM 53 OD1 ASN A 4 -10.625 -2.044 4.765 1.00 0.00 O ATOM 54 ND2 ASN A 4 -8.996 -0.592 5.280 1.00 0.00 N ATOM 0 H ASN A 4 -9.172 -4.578 3.021 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.611 -2.081 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.834 -3.842 5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.583 -2.678 5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.654 0.183 5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.001 -0.434 5.442 1.00 0.00 H new ATOM 61 N GLY A 5 -5.432 -3.134 3.955 1.00 0.00 N ATOM 62 CA GLY A 5 -4.146 -3.767 4.148 1.00 0.00 C ATOM 63 C GLY A 5 -3.307 -3.025 5.165 1.00 0.00 C ATOM 64 O GLY A 5 -3.688 -1.941 5.611 1.00 0.00 O ATOM 0 H GLY A 5 -5.442 -2.130 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.292 -4.796 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.614 -3.809 3.198 1.00 0.00 H new ATOM 68 N THR A 6 -2.172 -3.597 5.536 1.00 0.00 N ATOM 69 CA THR A 6 -1.276 -2.963 6.489 1.00 0.00 C ATOM 70 C THR A 6 0.102 -2.771 5.868 1.00 0.00 C ATOM 71 O THR A 6 0.671 -3.708 5.301 1.00 0.00 O ATOM 72 CB THR A 6 -1.130 -3.801 7.769 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.389 -4.394 8.119 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.632 -2.944 8.925 1.00 0.00 C ATOM 0 H THR A 6 -1.850 -4.501 5.191 1.00 0.00 H new ATOM 0 HA THR A 6 -1.709 -1.997 6.749 1.00 0.00 H new ATOM 0 HB THR A 6 -0.400 -4.587 7.576 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.284 -4.927 8.935 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.537 -3.559 9.820 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.339 -2.520 8.671 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.342 -2.138 9.113 1.00 0.00 H new ATOM 82 N ILE A 7 0.632 -1.567 5.986 1.00 0.00 N ATOM 83 CA ILE A 7 1.921 -1.232 5.389 1.00 0.00 C ATOM 84 C ILE A 7 3.042 -1.994 6.088 1.00 0.00 C ATOM 85 O ILE A 7 3.425 -1.671 7.213 1.00 0.00 O ATOM 86 CB ILE A 7 2.196 0.286 5.447 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.067 1.044 4.743 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.541 0.609 4.805 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.199 2.551 4.804 1.00 0.00 C ATOM 0 H ILE A 7 0.191 -0.799 6.491 1.00 0.00 H new ATOM 0 HA ILE A 7 1.886 -1.527 4.340 1.00 0.00 H new ATOM 0 HB ILE A 7 2.234 0.600 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.034 0.735 3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.116 0.755 5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.719 1.683 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.334 0.085 5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.533 0.290 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.360 3.011 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.200 2.874 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.132 2.854 4.329 1.00 0.00 H new ATOM 101 N THR A 8 3.558 -3.006 5.408 1.00 0.00 N ATOM 102 CA THR A 8 4.516 -3.920 6.004 1.00 0.00 C ATOM 103 C THR A 8 5.947 -3.497 5.679 1.00 0.00 C ATOM 104 O THR A 8 6.856 -3.634 6.499 1.00 0.00 O ATOM 105 CB THR A 8 4.259 -5.347 5.488 1.00 0.00 C ATOM 106 OG1 THR A 8 2.846 -5.601 5.468 1.00 0.00 O ATOM 107 CG2 THR A 8 4.941 -6.381 6.367 1.00 0.00 C ATOM 0 H THR A 8 3.327 -3.215 4.437 1.00 0.00 H new ATOM 0 HA THR A 8 4.391 -3.897 7.087 1.00 0.00 H new ATOM 0 HB THR A 8 4.671 -5.425 4.482 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.542 -5.829 6.371 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.741 -7.379 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.016 -6.202 6.372 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.556 -6.305 7.384 1.00 0.00 H new ATOM 115 N THR A 9 6.140 -2.986 4.477 1.00 0.00 N ATOM 116 CA THR A 9 7.444 -2.521 4.039 1.00 0.00 C ATOM 117 C THR A 9 7.277 -1.301 3.137 1.00 0.00 C ATOM 118 O THR A 9 6.386 -1.275 2.289 1.00 0.00 O ATOM 119 CB THR A 9 8.198 -3.637 3.289 1.00 0.00 C ATOM 120 OG1 THR A 9 8.237 -4.820 4.100 1.00 0.00 O ATOM 121 CG2 THR A 9 9.618 -3.211 2.951 1.00 0.00 C ATOM 0 H THR A 9 5.402 -2.882 3.780 1.00 0.00 H new ATOM 0 HA THR A 9 8.030 -2.244 4.916 1.00 0.00 H new ATOM 0 HB THR A 9 7.668 -3.839 2.358 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.715 -5.529 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.124 -4.019 2.423 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.591 -2.324 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.158 -2.984 3.870 1.00 0.00 H new ATOM 129 N TRP A 10 8.112 -0.291 3.331 1.00 0.00 N ATOM 130 CA TRP A 10 7.983 0.952 2.584 1.00 0.00 C ATOM 131 C TRP A 10 9.345 1.571 2.297 1.00 0.00 C ATOM 132 O TRP A 10 10.153 1.779 3.205 1.00 0.00 O ATOM 133 CB TRP A 10 7.095 1.933 3.360 1.00 0.00 C ATOM 134 CG TRP A 10 7.046 3.319 2.779 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.386 4.478 3.414 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.642 3.691 1.455 1.00 0.00 C ATOM 137 NE1 TRP A 10 7.207 5.548 2.573 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.755 5.091 1.364 1.00 0.00 C ATOM 139 CE3 TRP A 10 6.191 2.978 0.340 1.00 0.00 C ATOM 140 CZ2 TRP A 10 6.437 5.791 0.201 1.00 0.00 C ATOM 141 CZ3 TRP A 10 5.880 3.675 -0.815 1.00 0.00 C ATOM 142 CH2 TRP A 10 6.003 5.067 -0.876 1.00 0.00 C ATOM 0 H TRP A 10 8.884 -0.307 3.997 1.00 0.00 H new ATOM 0 HA TRP A 10 7.516 0.730 1.624 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.082 1.533 3.401 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.454 1.995 4.387 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.744 4.544 4.431 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.382 6.524 2.810 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.087 1.904 0.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 6.530 6.866 0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 5.536 3.134 -1.684 1.00 0.00 H new ATOM 0 HH2 TRP A 10 5.750 5.581 -1.792 1.00 0.00 H new ATOM 153 N PHE A 11 9.599 1.845 1.025 1.00 0.00 N ATOM 154 CA PHE A 11 10.817 2.524 0.613 1.00 0.00 C ATOM 155 C PHE A 11 10.460 3.828 -0.091 1.00 0.00 C ATOM 156 O PHE A 11 10.181 3.835 -1.291 1.00 0.00 O ATOM 157 CB PHE A 11 11.645 1.640 -0.326 1.00 0.00 C ATOM 158 CG PHE A 11 11.949 0.278 0.225 1.00 0.00 C ATOM 159 CD1 PHE A 11 12.769 0.128 1.332 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.413 -0.856 -0.364 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.051 -1.126 1.836 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.693 -2.111 0.136 1.00 0.00 C ATOM 163 CZ PHE A 11 12.511 -2.247 1.238 1.00 0.00 C ATOM 0 H PHE A 11 8.972 1.605 0.257 1.00 0.00 H new ATOM 0 HA PHE A 11 11.413 2.735 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.109 1.528 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.583 2.147 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.192 1.002 1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.768 -0.756 -1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 11 13.694 -1.230 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.272 -2.987 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.729 -3.229 1.632 1.00 0.00 H new ATOM 173 N LYS A 12 10.466 4.925 0.656 1.00 0.00 N ATOM 174 CA LYS A 12 10.061 6.222 0.121 1.00 0.00 C ATOM 175 C LYS A 12 10.992 6.662 -1.005 1.00 0.00 C ATOM 176 O LYS A 12 10.548 7.184 -2.024 1.00 0.00 O ATOM 177 CB LYS A 12 10.058 7.277 1.231 1.00 0.00 C ATOM 178 CG LYS A 12 9.608 8.650 0.767 1.00 0.00 C ATOM 179 CD LYS A 12 9.775 9.688 1.859 1.00 0.00 C ATOM 180 CE LYS A 12 9.329 11.058 1.383 1.00 0.00 C ATOM 181 NZ LYS A 12 9.545 12.104 2.413 1.00 0.00 N ATOM 0 H LYS A 12 10.747 4.944 1.636 1.00 0.00 H new ATOM 0 HA LYS A 12 9.053 6.121 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.403 6.943 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.062 7.355 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.185 8.946 -0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.563 8.607 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.194 9.397 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.819 9.729 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.876 11.323 0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.272 11.023 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.227 13.024 2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.003 11.866 3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.557 12.156 2.648 1.00 0.00 H new ATOM 195 N ASP A 13 12.283 6.430 -0.810 1.00 0.00 N ATOM 196 CA ASP A 13 13.299 6.839 -1.767 1.00 0.00 C ATOM 197 C ASP A 13 13.142 6.092 -3.086 1.00 0.00 C ATOM 198 O ASP A 13 13.349 6.653 -4.163 1.00 0.00 O ATOM 199 CB ASP A 13 14.687 6.565 -1.193 1.00 0.00 C ATOM 200 CG ASP A 13 14.887 7.184 0.173 1.00 0.00 C ATOM 201 OD1 ASP A 13 15.284 8.365 0.250 1.00 0.00 O ATOM 202 OD2 ASP A 13 14.662 6.486 1.184 1.00 0.00 O ATOM 0 H ASP A 13 12.653 5.955 0.013 1.00 0.00 H new ATOM 0 HA ASP A 13 13.178 7.906 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.842 5.488 -1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.442 6.953 -1.877 1.00 0.00 H new ATOM 207 N LYS A 14 12.769 4.825 -2.991 1.00 0.00 N ATOM 208 CA LYS A 14 12.657 3.972 -4.163 1.00 0.00 C ATOM 209 C LYS A 14 11.277 4.123 -4.798 1.00 0.00 C ATOM 210 O LYS A 14 11.119 3.982 -6.010 1.00 0.00 O ATOM 211 CB LYS A 14 12.912 2.516 -3.765 1.00 0.00 C ATOM 212 CG LYS A 14 13.130 1.577 -4.942 1.00 0.00 C ATOM 213 CD LYS A 14 14.287 2.034 -5.814 1.00 0.00 C ATOM 214 CE LYS A 14 14.783 0.916 -6.715 1.00 0.00 C ATOM 215 NZ LYS A 14 15.423 -0.176 -5.935 1.00 0.00 N ATOM 0 H LYS A 14 12.538 4.364 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 14 13.404 4.272 -4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.787 2.476 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.065 2.157 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.327 0.570 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.221 1.525 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.972 2.881 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.104 2.383 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.948 0.513 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.498 1.317 -7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.035 -0.737 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.994 0.234 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.688 -0.789 -5.529 1.00 0.00 H new ATOM 229 N GLY A 15 10.285 4.413 -3.968 1.00 0.00 N ATOM 230 CA GLY A 15 8.938 4.628 -4.459 1.00 0.00 C ATOM 231 C GLY A 15 8.111 3.360 -4.459 1.00 0.00 C ATOM 232 O GLY A 15 6.979 3.348 -4.942 1.00 0.00 O ATOM 0 H GLY A 15 10.390 4.504 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.445 5.379 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.984 5.028 -5.472 1.00 0.00 H new ATOM 236 N PHE A 16 8.669 2.288 -3.920 1.00 0.00 N ATOM 237 CA PHE A 16 7.981 1.006 -3.898 1.00 0.00 C ATOM 238 C PHE A 16 7.767 0.538 -2.467 1.00 0.00 C ATOM 239 O PHE A 16 8.426 1.021 -1.544 1.00 0.00 O ATOM 240 CB PHE A 16 8.773 -0.050 -4.674 1.00 0.00 C ATOM 241 CG PHE A 16 8.976 0.284 -6.126 1.00 0.00 C ATOM 242 CD1 PHE A 16 7.930 0.179 -7.027 1.00 0.00 C ATOM 243 CD2 PHE A 16 10.215 0.694 -6.590 1.00 0.00 C ATOM 244 CE1 PHE A 16 8.115 0.479 -8.362 1.00 0.00 C ATOM 245 CE2 PHE A 16 10.405 0.996 -7.926 1.00 0.00 C ATOM 246 CZ PHE A 16 9.354 0.888 -8.811 1.00 0.00 C ATOM 0 H PHE A 16 9.595 2.279 -3.492 1.00 0.00 H new ATOM 0 HA PHE A 16 7.011 1.139 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.747 -0.179 -4.202 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.254 -1.006 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.958 -0.141 -6.682 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.042 0.779 -5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.291 0.394 -9.054 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.376 1.316 -8.275 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.500 1.123 -9.855 1.00 0.00 H new ATOM 256 N GLY A 17 6.857 -0.405 -2.291 1.00 0.00 N ATOM 257 CA GLY A 17 6.558 -0.908 -0.968 1.00 0.00 C ATOM 258 C GLY A 17 5.816 -2.225 -1.011 1.00 0.00 C ATOM 259 O GLY A 17 5.412 -2.682 -2.082 1.00 0.00 O ATOM 0 H GLY A 17 6.318 -0.833 -3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.486 -1.034 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.960 -0.174 -0.429 1.00 0.00 H new ATOM 263 N PHE A 18 5.628 -2.825 0.156 1.00 0.00 N ATOM 264 CA PHE A 18 4.934 -4.097 0.274 1.00 0.00 C ATOM 265 C PHE A 18 3.880 -4.001 1.365 1.00 0.00 C ATOM 266 O PHE A 18 4.157 -3.532 2.474 1.00 0.00 O ATOM 267 CB PHE A 18 5.911 -5.232 0.605 1.00 0.00 C ATOM 268 CG PHE A 18 6.964 -5.464 -0.442 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.709 -6.286 -1.528 1.00 0.00 C ATOM 270 CD2 PHE A 18 8.208 -4.862 -0.340 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.675 -6.505 -2.491 1.00 0.00 C ATOM 272 CE2 PHE A 18 9.178 -5.077 -1.300 1.00 0.00 C ATOM 273 CZ PHE A 18 8.912 -5.899 -2.377 1.00 0.00 C ATOM 0 H PHE A 18 5.952 -2.444 1.045 1.00 0.00 H new ATOM 0 HA PHE A 18 4.461 -4.319 -0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.400 -5.010 1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.346 -6.153 0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.744 -6.761 -1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.422 -4.217 0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.464 -7.149 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.144 -4.602 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.669 -6.068 -3.129 1.00 0.00 H new ATOM 283 N ILE A 19 2.678 -4.438 1.052 1.00 0.00 N ATOM 284 CA ILE A 19 1.570 -4.377 1.991 1.00 0.00 C ATOM 285 C ILE A 19 0.788 -5.684 1.959 1.00 0.00 C ATOM 286 O ILE A 19 0.452 -6.182 0.884 1.00 0.00 O ATOM 287 CB ILE A 19 0.625 -3.196 1.656 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.325 -1.855 1.905 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.671 -3.282 2.449 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.501 -0.653 1.486 1.00 0.00 C ATOM 0 H ILE A 19 2.439 -4.843 0.147 1.00 0.00 H new ATOM 0 HA ILE A 19 1.978 -4.221 2.990 1.00 0.00 H new ATOM 0 HB ILE A 19 0.372 -3.262 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.563 -1.770 2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.271 -1.843 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.312 -2.439 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.183 -4.214 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.447 -3.255 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.059 0.260 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.285 -0.714 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.434 -0.640 2.045 1.00 0.00 H new ATOM 302 N LYS A 20 0.530 -6.255 3.129 1.00 0.00 N ATOM 303 CA LYS A 20 -0.325 -7.426 3.214 1.00 0.00 C ATOM 304 C LYS A 20 -1.764 -6.986 3.448 1.00 0.00 C ATOM 305 O LYS A 20 -2.018 -6.044 4.200 1.00 0.00 O ATOM 306 CB LYS A 20 0.165 -8.409 4.294 1.00 0.00 C ATOM 307 CG LYS A 20 0.320 -7.825 5.695 1.00 0.00 C ATOM 308 CD LYS A 20 -1.000 -7.785 6.455 1.00 0.00 C ATOM 309 CE LYS A 20 -0.790 -7.435 7.921 1.00 0.00 C ATOM 310 NZ LYS A 20 -0.054 -8.506 8.644 1.00 0.00 N ATOM 0 H LYS A 20 0.898 -5.928 4.023 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.280 -7.968 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.533 -9.244 4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.127 -8.815 3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.042 -8.419 6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.726 -6.816 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.663 -7.051 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.494 -8.753 6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.236 -6.499 7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.756 -7.272 8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.205 -8.401 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.404 -9.436 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.962 -8.432 8.434 1.00 0.00 H new ATOM 324 N ASP A 21 -2.693 -7.647 2.788 1.00 0.00 N ATOM 325 CA ASP A 21 -4.082 -7.208 2.789 1.00 0.00 C ATOM 326 C ASP A 21 -4.999 -8.226 3.457 1.00 0.00 C ATOM 327 O ASP A 21 -4.548 -9.127 4.170 1.00 0.00 O ATOM 328 CB ASP A 21 -4.551 -6.975 1.351 1.00 0.00 C ATOM 329 CG ASP A 21 -4.702 -8.265 0.567 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.856 -9.168 0.718 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.682 -8.384 -0.197 1.00 0.00 O ATOM 0 H ASP A 21 -2.516 -8.491 2.243 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.134 -6.280 3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.506 -6.450 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.838 -6.327 0.841 1.00 0.00 H new ATOM 336 N GLU A 22 -6.293 -8.055 3.218 1.00 0.00 N ATOM 337 CA GLU A 22 -7.317 -8.957 3.718 1.00 0.00 C ATOM 338 C GLU A 22 -7.156 -10.360 3.145 1.00 0.00 C ATOM 339 O GLU A 22 -7.468 -11.349 3.810 1.00 0.00 O ATOM 340 CB GLU A 22 -8.690 -8.406 3.355 1.00 0.00 C ATOM 341 CG GLU A 22 -9.103 -7.203 4.178 1.00 0.00 C ATOM 342 CD GLU A 22 -9.334 -7.557 5.627 1.00 0.00 C ATOM 343 OE1 GLU A 22 -10.415 -8.095 5.943 1.00 0.00 O ATOM 344 OE2 GLU A 22 -8.443 -7.294 6.465 1.00 0.00 O ATOM 0 H GLU A 22 -6.662 -7.280 2.667 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.214 -9.027 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.694 -8.132 2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.433 -9.194 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.331 -6.437 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.014 -6.774 3.760 1.00 0.00 H new ATOM 351 N ASN A 23 -6.666 -10.434 1.916 1.00 0.00 N ATOM 352 CA ASN A 23 -6.494 -11.706 1.226 1.00 0.00 C ATOM 353 C ASN A 23 -5.504 -12.593 1.973 1.00 0.00 C ATOM 354 O ASN A 23 -5.649 -13.815 2.006 1.00 0.00 O ATOM 355 CB ASN A 23 -6.010 -11.463 -0.204 1.00 0.00 C ATOM 356 CG ASN A 23 -5.939 -12.728 -1.033 1.00 0.00 C ATOM 357 OD1 ASN A 23 -4.911 -13.406 -1.080 1.00 0.00 O ATOM 358 ND2 ASN A 23 -7.033 -13.050 -1.703 1.00 0.00 N ATOM 0 H ASN A 23 -6.378 -9.621 1.372 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.456 -12.217 1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.679 -10.754 -0.692 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.023 -11.001 -0.173 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.046 -13.887 -2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.863 -12.461 -1.637 1.00 0.00 H new ATOM 365 N GLY A 24 -4.512 -11.967 2.588 1.00 0.00 N ATOM 366 CA GLY A 24 -3.523 -12.711 3.343 1.00 0.00 C ATOM 367 C GLY A 24 -2.262 -12.948 2.548 1.00 0.00 C ATOM 368 O GLY A 24 -1.536 -13.918 2.779 1.00 0.00 O ATOM 0 H GLY A 24 -4.373 -10.957 2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.279 -12.166 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.945 -13.669 3.647 1.00 0.00 H new ATOM 372 N ASP A 25 -1.997 -12.062 1.606 1.00 0.00 N ATOM 373 CA ASP A 25 -0.818 -12.178 0.772 1.00 0.00 C ATOM 374 C ASP A 25 -0.149 -10.821 0.655 1.00 0.00 C ATOM 375 O ASP A 25 -0.645 -9.834 1.196 1.00 0.00 O ATOM 376 CB ASP A 25 -1.193 -12.702 -0.614 1.00 0.00 C ATOM 377 CG ASP A 25 -0.076 -13.494 -1.260 1.00 0.00 C ATOM 378 OD1 ASP A 25 0.930 -12.891 -1.687 1.00 0.00 O ATOM 379 OD2 ASP A 25 -0.208 -14.732 -1.354 1.00 0.00 O ATOM 0 H ASP A 25 -2.584 -11.254 1.400 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.126 -12.885 1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.079 -13.331 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.456 -11.862 -1.257 1.00 0.00 H new ATOM 384 N ASN A 26 0.973 -10.772 -0.036 1.00 0.00 N ATOM 385 CA ASN A 26 1.684 -9.527 -0.227 1.00 0.00 C ATOM 386 C ASN A 26 1.309 -8.902 -1.563 1.00 0.00 C ATOM 387 O ASN A 26 1.127 -9.598 -2.562 1.00 0.00 O ATOM 388 CB ASN A 26 3.207 -9.739 -0.140 1.00 0.00 C ATOM 389 CG ASN A 26 3.850 -10.375 -1.378 1.00 0.00 C ATOM 390 OD1 ASN A 26 3.206 -11.363 -1.988 1.00 0.00 O flip ATOM 391 ND2 ASN A 26 4.954 -9.995 -1.765 1.00 0.00 N flip ATOM 0 H ASN A 26 1.411 -11.582 -0.474 1.00 0.00 H new ATOM 0 HA ASN A 26 1.393 -8.845 0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.682 -8.775 0.041 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.421 -10.368 0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.430 -9.234 -1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.393 -10.441 -2.570 1.00 0.00 H new ATOM 398 N ARG A 27 1.152 -7.594 -1.573 1.00 0.00 N ATOM 399 CA ARG A 27 0.916 -6.887 -2.814 1.00 0.00 C ATOM 400 C ARG A 27 2.045 -5.905 -3.068 1.00 0.00 C ATOM 401 O ARG A 27 2.533 -5.255 -2.142 1.00 0.00 O ATOM 402 CB ARG A 27 -0.430 -6.160 -2.789 1.00 0.00 C ATOM 403 CG ARG A 27 -1.613 -7.078 -2.528 1.00 0.00 C ATOM 404 CD ARG A 27 -2.933 -6.381 -2.804 1.00 0.00 C ATOM 405 NE ARG A 27 -4.069 -7.220 -2.439 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.967 -7.697 -3.296 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.890 -7.422 -4.593 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.957 -8.444 -2.849 1.00 0.00 N ATOM 0 H ARG A 27 1.183 -7.003 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 27 0.885 -7.615 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.403 -5.389 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.578 -5.653 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.531 -7.965 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.590 -7.417 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.976 -5.446 -2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.995 -6.123 -3.861 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.183 -7.458 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.133 -6.836 -4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.588 -7.796 -5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.030 -8.652 -1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.650 -8.814 -3.499 1.00 0.00 H new ATOM 422 N TYR A 28 2.472 -5.825 -4.316 1.00 0.00 N ATOM 423 CA TYR A 28 3.545 -4.927 -4.701 1.00 0.00 C ATOM 424 C TYR A 28 2.978 -3.540 -4.966 1.00 0.00 C ATOM 425 O TYR A 28 2.118 -3.366 -5.833 1.00 0.00 O ATOM 426 CB TYR A 28 4.256 -5.465 -5.945 1.00 0.00 C ATOM 427 CG TYR A 28 5.558 -4.771 -6.266 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.720 -5.091 -5.578 1.00 0.00 C ATOM 429 CD2 TYR A 28 5.626 -3.802 -7.257 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.916 -4.466 -5.869 1.00 0.00 C ATOM 431 CE2 TYR A 28 6.820 -3.173 -7.558 1.00 0.00 C ATOM 432 CZ TYR A 28 7.961 -3.508 -6.858 1.00 0.00 C ATOM 433 OH TYR A 28 9.153 -2.885 -7.155 1.00 0.00 O ATOM 0 H TYR A 28 2.089 -6.375 -5.084 1.00 0.00 H new ATOM 0 HA TYR A 28 4.272 -4.861 -3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.449 -6.529 -5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.587 -5.371 -6.801 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.688 -5.841 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.732 -3.535 -7.802 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.811 -4.727 -5.324 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.859 -2.425 -8.336 1.00 0.00 H new ATOM 0 HH TYR A 28 9.068 -1.922 -6.992 1.00 0.00 H new ATOM 443 N PHE A 29 3.441 -2.562 -4.208 1.00 0.00 N ATOM 444 CA PHE A 29 2.912 -1.216 -4.315 1.00 0.00 C ATOM 445 C PHE A 29 3.927 -0.248 -4.895 1.00 0.00 C ATOM 446 O PHE A 29 5.135 -0.497 -4.889 1.00 0.00 O ATOM 447 CB PHE A 29 2.433 -0.711 -2.953 1.00 0.00 C ATOM 448 CG PHE A 29 1.136 -1.325 -2.512 1.00 0.00 C ATOM 449 CD1 PHE A 29 1.118 -2.540 -1.852 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.064 -0.686 -2.761 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.075 -3.105 -1.449 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.260 -1.246 -2.359 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.266 -2.457 -1.702 1.00 0.00 C ATOM 0 H PHE A 29 4.180 -2.675 -3.514 1.00 0.00 H new ATOM 0 HA PHE A 29 2.065 -1.263 -4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.199 -0.921 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.318 0.372 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.047 -3.052 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.066 0.263 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.076 -4.055 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.190 -0.735 -2.559 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.200 -2.897 -1.386 1.00 0.00 H new ATOM 463 N HIS A 30 3.408 0.859 -5.395 1.00 0.00 N ATOM 464 CA HIS A 30 4.212 1.921 -5.964 1.00 0.00 C ATOM 465 C HIS A 30 3.583 3.254 -5.565 1.00 0.00 C ATOM 466 O HIS A 30 2.364 3.358 -5.504 1.00 0.00 O ATOM 467 CB HIS A 30 4.270 1.770 -7.496 1.00 0.00 C ATOM 468 CG HIS A 30 5.158 2.768 -8.190 1.00 0.00 C ATOM 469 ND1 HIS A 30 6.264 3.427 -7.770 1.00 0.00 N flip ATOM 470 CD2 HIS A 30 4.908 3.229 -9.462 1.00 0.00 C flip ATOM 471 CE1 HIS A 30 6.641 4.275 -8.780 1.00 0.00 C flip ATOM 472 NE2 HIS A 30 5.802 4.139 -9.790 1.00 0.00 N flip ATOM 0 H HIS A 30 2.406 1.046 -5.417 1.00 0.00 H new ATOM 0 HA HIS A 30 5.235 1.875 -5.589 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.618 0.765 -7.736 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.260 1.862 -7.896 1.00 0.00 H new ATOM 0 HD1 HIS A 30 6.730 3.314 -6.870 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.100 2.895 -10.096 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.487 4.945 -8.753 1.00 0.00 H new ATOM 481 N VAL A 31 4.415 4.251 -5.275 1.00 0.00 N ATOM 482 CA VAL A 31 3.949 5.561 -4.805 1.00 0.00 C ATOM 483 C VAL A 31 2.821 6.136 -5.677 1.00 0.00 C ATOM 484 O VAL A 31 1.909 6.780 -5.168 1.00 0.00 O ATOM 485 CB VAL A 31 5.124 6.568 -4.726 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.756 6.790 -6.094 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.668 7.890 -4.125 1.00 0.00 C ATOM 0 H VAL A 31 5.429 4.178 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 31 3.541 5.404 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 31 5.883 6.138 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.577 7.501 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.137 5.843 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.007 7.185 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.511 8.579 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.881 8.319 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.285 7.719 -3.119 1.00 0.00 H new ATOM 497 N ILE A 32 2.873 5.867 -6.980 1.00 0.00 N ATOM 498 CA ILE A 32 1.873 6.376 -7.923 1.00 0.00 C ATOM 499 C ILE A 32 0.473 5.833 -7.601 1.00 0.00 C ATOM 500 O ILE A 32 -0.546 6.449 -7.917 1.00 0.00 O ATOM 501 CB ILE A 32 2.252 5.995 -9.374 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.307 6.654 -10.358 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.211 4.487 -9.561 1.00 0.00 C ATOM 504 CD1 ILE A 32 1.826 6.679 -11.778 1.00 0.00 C ATOM 0 H ILE A 32 3.600 5.296 -7.411 1.00 0.00 H new ATOM 0 HA ILE A 32 1.855 7.462 -7.826 1.00 0.00 H new ATOM 0 HB ILE A 32 3.266 6.347 -9.561 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.352 6.128 -10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.114 7.676 -10.033 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.481 4.240 -10.588 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.917 4.016 -8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.206 4.122 -9.352 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.095 7.166 -12.424 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.765 7.231 -11.812 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.992 5.658 -12.123 1.00 0.00 H new ATOM 516 N LYS A 33 0.452 4.680 -6.955 1.00 0.00 N ATOM 517 CA LYS A 33 -0.783 3.997 -6.589 1.00 0.00 C ATOM 518 C LYS A 33 -1.431 4.643 -5.368 1.00 0.00 C ATOM 519 O LYS A 33 -2.638 4.510 -5.154 1.00 0.00 O ATOM 520 CB LYS A 33 -0.488 2.521 -6.291 1.00 0.00 C ATOM 521 CG LYS A 33 -0.977 1.548 -7.345 1.00 0.00 C ATOM 522 CD LYS A 33 -0.698 2.013 -8.760 1.00 0.00 C ATOM 523 CE LYS A 33 -1.292 1.040 -9.767 1.00 0.00 C ATOM 524 NZ LYS A 33 -1.403 1.633 -11.124 1.00 0.00 N ATOM 0 H LYS A 33 1.296 4.185 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.476 4.076 -7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.589 2.397 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.944 2.260 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.501 0.581 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.050 1.399 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.120 3.006 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.378 2.096 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.672 0.145 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.279 0.727 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.813 0.934 -11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.016 2.472 -11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.458 1.909 -11.461 1.00 0.00 H new ATOM 538 N VAL A 34 -0.631 5.345 -4.581 1.00 0.00 N ATOM 539 CA VAL A 34 -1.105 5.922 -3.333 1.00 0.00 C ATOM 540 C VAL A 34 -1.560 7.361 -3.546 1.00 0.00 C ATOM 541 O VAL A 34 -0.878 8.147 -4.204 1.00 0.00 O ATOM 542 CB VAL A 34 -0.013 5.879 -2.242 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.573 6.323 -0.899 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.588 4.485 -2.143 1.00 0.00 C ATOM 0 H VAL A 34 0.351 5.529 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.952 5.323 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 34 0.779 6.573 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.214 6.285 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.948 7.343 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.387 5.660 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.356 4.474 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.194 3.769 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.033 4.212 -3.100 1.00 0.00 H new ATOM 554 N ALA A 35 -2.719 7.693 -2.998 1.00 0.00 N ATOM 555 CA ALA A 35 -3.263 9.037 -3.114 1.00 0.00 C ATOM 556 C ALA A 35 -2.620 9.968 -2.092 1.00 0.00 C ATOM 557 O ALA A 35 -2.429 11.155 -2.351 1.00 0.00 O ATOM 558 CB ALA A 35 -4.775 9.014 -2.934 1.00 0.00 C ATOM 0 H ALA A 35 -3.303 7.047 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.037 9.414 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.168 10.027 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.223 8.382 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.018 8.616 -1.949 1.00 0.00 H new ATOM 564 N ASN A 36 -2.280 9.415 -0.934 1.00 0.00 N ATOM 565 CA ASN A 36 -1.675 10.191 0.144 1.00 0.00 C ATOM 566 C ASN A 36 -0.382 9.533 0.639 1.00 0.00 C ATOM 567 O ASN A 36 -0.354 8.896 1.692 1.00 0.00 O ATOM 568 CB ASN A 36 -2.679 10.388 1.299 1.00 0.00 C ATOM 569 CG ASN A 36 -3.284 9.088 1.827 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.368 8.082 1.122 1.00 0.00 O ATOM 571 ND2 ASN A 36 -3.735 9.110 3.074 1.00 0.00 N ATOM 0 H ASN A 36 -2.413 8.428 -0.716 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.414 11.174 -0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.177 10.902 2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.484 11.039 0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.167 8.277 3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.650 9.960 3.632 1.00 0.00 H new ATOM 578 N PRO A 37 0.716 9.684 -0.126 1.00 0.00 N ATOM 579 CA PRO A 37 2.000 9.039 0.184 1.00 0.00 C ATOM 580 C PRO A 37 2.723 9.673 1.372 1.00 0.00 C ATOM 581 O PRO A 37 3.545 9.032 2.024 1.00 0.00 O ATOM 582 CB PRO A 37 2.811 9.230 -1.099 1.00 0.00 C ATOM 583 CG PRO A 37 2.252 10.462 -1.722 1.00 0.00 C ATOM 584 CD PRO A 37 0.789 10.489 -1.361 1.00 0.00 C ATOM 0 HA PRO A 37 1.862 7.997 0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.873 9.343 -0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.711 8.371 -1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.761 11.351 -1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.386 10.446 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.436 11.507 -1.196 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.174 10.063 -2.153 1.00 0.00 H new ATOM 592 N ASP A 38 2.409 10.931 1.652 1.00 0.00 N ATOM 593 CA ASP A 38 3.035 11.649 2.761 1.00 0.00 C ATOM 594 C ASP A 38 2.623 11.055 4.099 1.00 0.00 C ATOM 595 O ASP A 38 3.385 11.062 5.068 1.00 0.00 O ATOM 596 CB ASP A 38 2.652 13.129 2.719 1.00 0.00 C ATOM 597 CG ASP A 38 3.178 13.894 3.919 1.00 0.00 C ATOM 598 OD1 ASP A 38 4.401 14.144 3.981 1.00 0.00 O ATOM 599 OD2 ASP A 38 2.371 14.249 4.802 1.00 0.00 O ATOM 0 H ASP A 38 1.725 11.478 1.128 1.00 0.00 H new ATOM 0 HA ASP A 38 4.115 11.551 2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.043 13.577 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.567 13.220 2.680 1.00 0.00 H new ATOM 604 N LEU A 39 1.429 10.491 4.122 1.00 0.00 N ATOM 605 CA LEU A 39 0.832 10.005 5.347 1.00 0.00 C ATOM 606 C LEU A 39 1.155 8.534 5.545 1.00 0.00 C ATOM 607 O LEU A 39 0.670 7.895 6.477 1.00 0.00 O ATOM 608 CB LEU A 39 -0.682 10.214 5.295 1.00 0.00 C ATOM 609 CG LEU A 39 -1.135 11.664 5.086 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.653 11.753 5.060 1.00 0.00 C ATOM 611 CD2 LEU A 39 -0.572 12.570 6.173 1.00 0.00 C ATOM 0 H LEU A 39 0.849 10.358 3.293 1.00 0.00 H new ATOM 0 HA LEU A 39 1.242 10.562 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.089 9.603 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.116 9.845 6.225 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.750 12.002 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.954 12.790 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.039 11.142 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.055 11.391 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.907 13.593 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.923 12.230 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.517 12.536 6.147 1.00 0.00 H new ATOM 623 N ILE A 40 1.980 8.003 4.655 1.00 0.00 N ATOM 624 CA ILE A 40 2.373 6.608 4.708 1.00 0.00 C ATOM 625 C ILE A 40 3.288 6.343 5.901 1.00 0.00 C ATOM 626 O ILE A 40 4.428 6.810 5.950 1.00 0.00 O ATOM 627 CB ILE A 40 3.072 6.176 3.402 1.00 0.00 C ATOM 628 CG1 ILE A 40 2.060 6.096 2.256 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.785 4.840 3.580 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.661 5.645 0.942 1.00 0.00 C ATOM 0 H ILE A 40 2.392 8.525 3.882 1.00 0.00 H new ATOM 0 HA ILE A 40 1.465 6.017 4.826 1.00 0.00 H new ATOM 0 HB ILE A 40 3.821 6.928 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.262 5.408 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.602 7.076 2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.269 4.559 2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.536 4.930 4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.060 4.075 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.884 5.613 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.439 6.345 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.094 4.652 1.062 1.00 0.00 H new ATOM 642 N LYS A 41 2.759 5.611 6.870 1.00 0.00 N ATOM 643 CA LYS A 41 3.519 5.211 8.042 1.00 0.00 C ATOM 644 C LYS A 41 3.612 3.696 8.077 1.00 0.00 C ATOM 645 O LYS A 41 2.789 3.010 7.476 1.00 0.00 O ATOM 646 CB LYS A 41 2.843 5.716 9.318 1.00 0.00 C ATOM 647 CG LYS A 41 2.641 7.224 9.351 1.00 0.00 C ATOM 648 CD LYS A 41 3.952 7.970 9.540 1.00 0.00 C ATOM 649 CE LYS A 41 4.271 8.210 11.010 1.00 0.00 C ATOM 650 NZ LYS A 41 4.421 6.949 11.785 1.00 0.00 N ATOM 0 H LYS A 41 1.794 5.279 6.865 1.00 0.00 H new ATOM 0 HA LYS A 41 4.517 5.645 7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.875 5.227 9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.444 5.421 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.171 7.547 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.958 7.481 10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.761 7.401 9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.902 8.927 9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.191 8.789 11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.478 8.811 11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.879 7.154 12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.483 6.532 11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.006 6.278 11.247 1.00 0.00 H new ATOM 664 N LYS A 42 4.598 3.167 8.777 1.00 0.00 N ATOM 665 CA LYS A 42 4.763 1.725 8.853 1.00 0.00 C ATOM 666 C LYS A 42 3.792 1.139 9.868 1.00 0.00 C ATOM 667 O LYS A 42 3.490 1.778 10.879 1.00 0.00 O ATOM 668 CB LYS A 42 6.193 1.357 9.235 1.00 0.00 C ATOM 669 CG LYS A 42 6.768 0.247 8.372 1.00 0.00 C ATOM 670 CD LYS A 42 7.193 0.769 7.010 1.00 0.00 C ATOM 671 CE LYS A 42 8.425 1.655 7.120 1.00 0.00 C ATOM 672 NZ LYS A 42 9.586 0.912 7.673 1.00 0.00 N ATOM 0 H LYS A 42 5.291 3.706 9.297 1.00 0.00 H new ATOM 0 HA LYS A 42 4.551 1.309 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.825 2.241 9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.216 1.047 10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.625 -0.201 8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.025 -0.540 8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.403 -0.069 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.375 1.333 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.680 2.049 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.203 2.511 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.458 1.452 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.457 0.779 8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.657 -0.016 7.209 1.00 0.00 H new ATOM 686 N ASP A 43 3.292 -0.064 9.574 1.00 0.00 N ATOM 687 CA ASP A 43 2.339 -0.764 10.443 1.00 0.00 C ATOM 688 C ASP A 43 0.989 -0.038 10.456 1.00 0.00 C ATOM 689 O ASP A 43 0.100 -0.348 11.247 1.00 0.00 O ATOM 690 CB ASP A 43 2.913 -0.904 11.864 1.00 0.00 C ATOM 691 CG ASP A 43 2.067 -1.779 12.773 1.00 0.00 C ATOM 692 OD1 ASP A 43 1.999 -3.007 12.535 1.00 0.00 O ATOM 693 OD2 ASP A 43 1.477 -1.248 13.741 1.00 0.00 O ATOM 0 H ASP A 43 3.535 -0.580 8.729 1.00 0.00 H new ATOM 0 HA ASP A 43 2.174 -1.766 10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.918 -1.322 11.802 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.006 0.086 12.309 1.00 0.00 H new ATOM 698 N ALA A 44 0.837 0.915 9.546 1.00 0.00 N ATOM 699 CA ALA A 44 -0.397 1.674 9.434 1.00 0.00 C ATOM 700 C ALA A 44 -1.360 0.984 8.478 1.00 0.00 C ATOM 701 O ALA A 44 -0.936 0.240 7.588 1.00 0.00 O ATOM 702 CB ALA A 44 -0.112 3.093 8.965 1.00 0.00 C ATOM 0 H ALA A 44 1.557 1.180 8.874 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.860 1.723 10.419 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.048 3.645 8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.543 3.588 9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.374 3.063 7.990 1.00 0.00 H new ATOM 708 N ALA A 45 -2.648 1.238 8.661 1.00 0.00 N ATOM 709 CA ALA A 45 -3.677 0.614 7.844 1.00 0.00 C ATOM 710 C ALA A 45 -3.979 1.452 6.612 1.00 0.00 C ATOM 711 O ALA A 45 -3.962 2.682 6.664 1.00 0.00 O ATOM 712 CB ALA A 45 -4.943 0.401 8.662 1.00 0.00 C ATOM 0 H ALA A 45 -3.006 1.876 9.372 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.305 -0.355 7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.705 -0.067 8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.723 -0.245 9.512 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.309 1.362 9.023 1.00 0.00 H new ATOM 718 N VAL A 46 -4.245 0.785 5.504 1.00 0.00 N ATOM 719 CA VAL A 46 -4.595 1.463 4.268 1.00 0.00 C ATOM 720 C VAL A 46 -5.797 0.793 3.617 1.00 0.00 C ATOM 721 O VAL A 46 -6.171 -0.323 3.983 1.00 0.00 O ATOM 722 CB VAL A 46 -3.425 1.474 3.257 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.250 2.283 3.784 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.989 0.056 2.925 1.00 0.00 C ATOM 0 H VAL A 46 -4.225 -0.232 5.434 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.833 2.493 4.532 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.779 1.951 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.443 2.272 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.566 3.311 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.897 1.846 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.165 0.086 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.663 -0.447 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.826 -0.489 2.489 1.00 0.00 H new ATOM 734 N THR A 47 -6.411 1.490 2.679 1.00 0.00 N ATOM 735 CA THR A 47 -7.486 0.928 1.881 1.00 0.00 C ATOM 736 C THR A 47 -7.162 1.125 0.407 1.00 0.00 C ATOM 737 O THR A 47 -6.438 2.056 0.051 1.00 0.00 O ATOM 738 CB THR A 47 -8.831 1.597 2.194 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.848 2.030 3.561 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.983 0.635 1.953 1.00 0.00 C ATOM 0 H THR A 47 -6.181 2.457 2.449 1.00 0.00 H new ATOM 0 HA THR A 47 -7.571 -0.132 2.120 1.00 0.00 H new ATOM 0 HB THR A 47 -8.951 2.455 1.533 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.707 2.458 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.926 1.132 2.182 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.982 0.321 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.868 -0.238 2.595 1.00 0.00 H new ATOM 748 N PHE A 48 -7.691 0.261 -0.440 1.00 0.00 N ATOM 749 CA PHE A 48 -7.357 0.281 -1.856 1.00 0.00 C ATOM 750 C PHE A 48 -8.307 -0.599 -2.655 1.00 0.00 C ATOM 751 O PHE A 48 -9.190 -1.251 -2.093 1.00 0.00 O ATOM 752 CB PHE A 48 -5.912 -0.193 -2.064 1.00 0.00 C ATOM 753 CG PHE A 48 -5.564 -1.447 -1.304 1.00 0.00 C ATOM 754 CD1 PHE A 48 -6.064 -2.681 -1.694 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.734 -1.387 -0.197 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.740 -3.827 -0.994 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.407 -2.529 0.505 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.909 -3.750 0.106 1.00 0.00 C ATOM 0 H PHE A 48 -8.355 -0.466 -0.173 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.457 1.306 -2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.747 -0.367 -3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.232 0.603 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.714 -2.746 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.338 -0.434 0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.136 -4.782 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.758 -2.467 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.652 -4.645 0.653 1.00 0.00 H new ATOM 768 N GLU A 49 -8.126 -0.603 -3.967 1.00 0.00 N ATOM 769 CA GLU A 49 -8.854 -1.505 -4.836 1.00 0.00 C ATOM 770 C GLU A 49 -7.889 -2.545 -5.398 1.00 0.00 C ATOM 771 O GLU A 49 -6.735 -2.232 -5.700 1.00 0.00 O ATOM 772 CB GLU A 49 -9.540 -0.729 -5.965 1.00 0.00 C ATOM 773 CG GLU A 49 -10.602 0.241 -5.472 1.00 0.00 C ATOM 774 CD GLU A 49 -11.396 0.867 -6.599 1.00 0.00 C ATOM 775 OE1 GLU A 49 -12.338 0.216 -7.098 1.00 0.00 O ATOM 776 OE2 GLU A 49 -11.103 2.020 -6.977 1.00 0.00 O ATOM 0 H GLU A 49 -7.475 0.014 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.632 -2.011 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.786 -0.177 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.998 -1.437 -6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.283 -0.284 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.125 1.029 -4.889 1.00 0.00 H new ATOM 783 N PRO A 50 -8.348 -3.793 -5.544 1.00 0.00 N ATOM 784 CA PRO A 50 -7.507 -4.910 -5.957 1.00 0.00 C ATOM 785 C PRO A 50 -7.365 -5.028 -7.470 1.00 0.00 C ATOM 786 O PRO A 50 -8.318 -4.796 -8.220 1.00 0.00 O ATOM 787 CB PRO A 50 -8.242 -6.139 -5.401 1.00 0.00 C ATOM 788 CG PRO A 50 -9.546 -5.646 -4.840 1.00 0.00 C ATOM 789 CD PRO A 50 -9.723 -4.228 -5.300 1.00 0.00 C ATOM 0 HA PRO A 50 -6.488 -4.792 -5.589 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.412 -6.876 -6.186 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.649 -6.628 -4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.372 -6.268 -5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.540 -5.699 -3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.332 -4.168 -6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.213 -3.615 -4.543 1.00 0.00 H new ATOM 797 N THR A 51 -6.171 -5.398 -7.909 1.00 0.00 N ATOM 798 CA THR A 51 -5.904 -5.647 -9.311 1.00 0.00 C ATOM 799 C THR A 51 -4.899 -6.794 -9.429 1.00 0.00 C ATOM 800 O THR A 51 -4.231 -7.141 -8.448 1.00 0.00 O ATOM 801 CB THR A 51 -5.375 -4.373 -10.019 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.210 -4.599 -11.424 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.053 -3.908 -9.423 1.00 0.00 C ATOM 0 H THR A 51 -5.363 -5.533 -7.301 1.00 0.00 H new ATOM 0 HA THR A 51 -6.834 -5.925 -9.807 1.00 0.00 H new ATOM 0 HB THR A 51 -6.119 -3.592 -9.865 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.877 -3.782 -11.850 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.713 -3.013 -9.945 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.190 -3.682 -8.366 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.308 -4.696 -9.532 1.00 0.00 H new ATOM 811 N THR A 52 -4.802 -7.399 -10.600 1.00 0.00 N ATOM 812 CA THR A 52 -3.916 -8.535 -10.779 1.00 0.00 C ATOM 813 C THR A 52 -2.660 -8.125 -11.537 1.00 0.00 C ATOM 814 O THR A 52 -2.690 -7.216 -12.368 1.00 0.00 O ATOM 815 CB THR A 52 -4.618 -9.673 -11.535 1.00 0.00 C ATOM 816 OG1 THR A 52 -6.012 -9.698 -11.186 1.00 0.00 O ATOM 817 CG2 THR A 52 -3.991 -11.020 -11.197 1.00 0.00 C ATOM 0 H THR A 52 -5.321 -7.125 -11.434 1.00 0.00 H new ATOM 0 HA THR A 52 -3.638 -8.891 -9.787 1.00 0.00 H new ATOM 0 HB THR A 52 -4.505 -9.494 -12.604 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.458 -10.424 -11.671 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.506 -11.809 -11.745 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.938 -11.012 -11.477 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.080 -11.204 -10.126 1.00 0.00 H new ATOM 825 N ASN A 53 -1.565 -8.800 -11.243 1.00 0.00 N ATOM 826 CA ASN A 53 -0.283 -8.512 -11.866 1.00 0.00 C ATOM 827 C ASN A 53 0.427 -9.822 -12.170 1.00 0.00 C ATOM 828 O ASN A 53 0.163 -10.834 -11.521 1.00 0.00 O ATOM 829 CB ASN A 53 0.578 -7.662 -10.938 1.00 0.00 C ATOM 830 CG ASN A 53 1.666 -6.938 -11.690 1.00 0.00 C ATOM 831 OD1 ASN A 53 2.793 -7.421 -11.802 1.00 0.00 O ATOM 832 ND2 ASN A 53 1.329 -5.772 -12.214 1.00 0.00 N ATOM 0 H ASN A 53 -1.537 -9.563 -10.567 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.448 -7.958 -12.790 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.051 -6.937 -10.421 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.025 -8.298 -10.174 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.016 -5.231 -12.738 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.382 -5.414 -12.094 1.00 0.00 H new ATOM 839 N ASN A 54 1.314 -9.812 -13.153 1.00 0.00 N ATOM 840 CA ASN A 54 2.066 -11.011 -13.509 1.00 0.00 C ATOM 841 C ASN A 54 3.020 -11.392 -12.375 1.00 0.00 C ATOM 842 O ASN A 54 3.297 -12.570 -12.143 1.00 0.00 O ATOM 843 CB ASN A 54 2.852 -10.776 -14.803 1.00 0.00 C ATOM 844 CG ASN A 54 3.298 -12.067 -15.474 1.00 0.00 C ATOM 845 OD1 ASN A 54 3.481 -13.098 -14.827 1.00 0.00 O ATOM 846 ND2 ASN A 54 3.490 -12.018 -16.782 1.00 0.00 N ATOM 0 H ASN A 54 1.532 -8.991 -13.718 1.00 0.00 H new ATOM 0 HA ASN A 54 1.365 -11.830 -13.668 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.234 -10.207 -15.498 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.728 -10.166 -14.583 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.799 -12.851 -17.284 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.329 -11.148 -17.289 1.00 0.00 H new ATOM 853 N LYS A 55 3.500 -10.386 -11.655 1.00 0.00 N ATOM 854 CA LYS A 55 4.469 -10.597 -10.593 1.00 0.00 C ATOM 855 C LYS A 55 3.799 -11.025 -9.289 1.00 0.00 C ATOM 856 O LYS A 55 4.455 -11.562 -8.397 1.00 0.00 O ATOM 857 CB LYS A 55 5.270 -9.318 -10.376 1.00 0.00 C ATOM 858 CG LYS A 55 6.061 -8.886 -11.601 1.00 0.00 C ATOM 859 CD LYS A 55 6.779 -7.566 -11.370 1.00 0.00 C ATOM 860 CE LYS A 55 7.532 -7.127 -12.614 1.00 0.00 C ATOM 861 NZ LYS A 55 8.239 -5.837 -12.413 1.00 0.00 N ATOM 0 H LYS A 55 3.231 -9.412 -11.790 1.00 0.00 H new ATOM 0 HA LYS A 55 5.135 -11.405 -10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.589 -8.516 -10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.957 -9.465 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.789 -9.657 -11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.388 -8.790 -12.453 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.056 -6.800 -11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.475 -7.668 -10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.253 -7.896 -12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.833 -7.031 -13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.739 -5.576 -13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.549 -5.096 -12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.925 -5.934 -11.637 1.00 0.00 H new ATOM 875 N GLY A 56 2.497 -10.788 -9.185 1.00 0.00 N ATOM 876 CA GLY A 56 1.769 -11.140 -7.983 1.00 0.00 C ATOM 877 C GLY A 56 0.530 -10.288 -7.811 1.00 0.00 C ATOM 878 O GLY A 56 0.076 -9.651 -8.761 1.00 0.00 O ATOM 0 H GLY A 56 1.931 -10.356 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.485 -12.192 -8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.418 -11.019 -7.116 1.00 0.00 H new ATOM 882 N LEU A 57 -0.025 -10.269 -6.612 1.00 0.00 N ATOM 883 CA LEU A 57 -1.192 -9.449 -6.333 1.00 0.00 C ATOM 884 C LEU A 57 -0.803 -7.977 -6.264 1.00 0.00 C ATOM 885 O LEU A 57 0.253 -7.628 -5.736 1.00 0.00 O ATOM 886 CB LEU A 57 -1.852 -9.886 -5.028 1.00 0.00 C ATOM 887 CG LEU A 57 -2.507 -11.269 -5.061 1.00 0.00 C ATOM 888 CD1 LEU A 57 -3.095 -11.613 -3.703 1.00 0.00 C ATOM 889 CD2 LEU A 57 -3.585 -11.326 -6.134 1.00 0.00 C ATOM 0 H LEU A 57 0.313 -10.811 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.908 -9.581 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.101 -9.876 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.609 -9.149 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.740 -12.004 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.556 -12.600 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.303 -11.615 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.848 -10.872 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.039 -12.317 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.349 -10.579 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.140 -11.123 -7.108 1.00 0.00 H new ATOM 901 N SER A 58 -1.651 -7.117 -6.804 1.00 0.00 N ATOM 902 CA SER A 58 -1.388 -5.689 -6.809 1.00 0.00 C ATOM 903 C SER A 58 -2.629 -4.914 -6.408 1.00 0.00 C ATOM 904 O SER A 58 -3.725 -5.477 -6.317 1.00 0.00 O ATOM 905 CB SER A 58 -0.885 -5.246 -8.182 1.00 0.00 C ATOM 906 OG SER A 58 -1.473 -6.023 -9.214 1.00 0.00 O ATOM 0 H SER A 58 -2.530 -7.385 -7.246 1.00 0.00 H new ATOM 0 HA SER A 58 -0.610 -5.477 -6.076 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.119 -4.193 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.200 -5.341 -8.224 1.00 0.00 H new ATOM 0 HG SER A 58 -2.332 -6.381 -8.905 1.00 0.00 H new ATOM 912 N ALA A 59 -2.452 -3.640 -6.123 1.00 0.00 N ATOM 913 CA ALA A 59 -3.560 -2.787 -5.725 1.00 0.00 C ATOM 914 C ALA A 59 -3.310 -1.352 -6.156 1.00 0.00 C ATOM 915 O ALA A 59 -2.170 -0.970 -6.405 1.00 0.00 O ATOM 916 CB ALA A 59 -3.772 -2.857 -4.222 1.00 0.00 C ATOM 0 H ALA A 59 -1.548 -3.168 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.463 -3.145 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.605 -2.212 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.995 -3.884 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.868 -2.525 -3.711 1.00 0.00 H new ATOM 922 N TYR A 60 -4.375 -0.570 -6.246 1.00 0.00 N ATOM 923 CA TYR A 60 -4.272 0.842 -6.602 1.00 0.00 C ATOM 924 C TYR A 60 -5.303 1.649 -5.831 1.00 0.00 C ATOM 925 O TYR A 60 -6.061 1.089 -5.034 1.00 0.00 O ATOM 926 CB TYR A 60 -4.476 1.049 -8.106 1.00 0.00 C ATOM 927 CG TYR A 60 -5.827 0.603 -8.616 1.00 0.00 C ATOM 928 CD1 TYR A 60 -6.076 -0.728 -8.925 1.00 0.00 C ATOM 929 CD2 TYR A 60 -6.857 1.518 -8.782 1.00 0.00 C ATOM 930 CE1 TYR A 60 -7.313 -1.131 -9.386 1.00 0.00 C ATOM 931 CE2 TYR A 60 -8.094 1.122 -9.240 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.318 -0.201 -9.540 1.00 0.00 C ATOM 933 OH TYR A 60 -9.553 -0.594 -9.997 1.00 0.00 O ATOM 0 H TYR A 60 -5.329 -0.890 -6.076 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.271 1.184 -6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.344 2.106 -8.337 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.700 0.506 -8.645 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.290 -1.459 -8.803 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.686 2.558 -8.548 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.492 -2.169 -9.625 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.885 1.847 -9.363 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.146 0.184 -10.047 1.00 0.00 H new ATOM 943 N ALA A 61 -5.334 2.957 -6.087 1.00 0.00 N ATOM 944 CA ALA A 61 -6.248 3.869 -5.393 1.00 0.00 C ATOM 945 C ALA A 61 -6.046 3.772 -3.885 1.00 0.00 C ATOM 946 O ALA A 61 -6.998 3.834 -3.106 1.00 0.00 O ATOM 947 CB ALA A 61 -7.694 3.562 -5.767 1.00 0.00 C ATOM 0 H ALA A 61 -4.733 3.412 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.027 4.890 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.359 4.248 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.825 3.681 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.933 2.537 -5.483 1.00 0.00 H new ATOM 953 N VAL A 62 -4.790 3.651 -3.485 1.00 0.00 N ATOM 954 CA VAL A 62 -4.443 3.395 -2.099 1.00 0.00 C ATOM 955 C VAL A 62 -4.523 4.664 -1.263 1.00 0.00 C ATOM 956 O VAL A 62 -3.824 5.644 -1.533 1.00 0.00 O ATOM 957 CB VAL A 62 -3.023 2.808 -1.983 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.732 2.366 -0.556 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.847 1.654 -2.954 1.00 0.00 C ATOM 0 H VAL A 62 -3.987 3.727 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.166 2.673 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.307 3.588 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.724 1.955 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.812 3.222 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.451 1.603 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.839 1.250 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.573 0.874 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.002 2.009 -3.973 1.00 0.00 H new ATOM 969 N LYS A 63 -5.389 4.650 -0.265 1.00 0.00 N ATOM 970 CA LYS A 63 -5.463 5.729 0.689 1.00 0.00 C ATOM 971 C LYS A 63 -5.063 5.222 2.069 1.00 0.00 C ATOM 972 O LYS A 63 -5.585 4.213 2.551 1.00 0.00 O ATOM 973 CB LYS A 63 -6.865 6.351 0.729 1.00 0.00 C ATOM 974 CG LYS A 63 -7.996 5.393 1.088 1.00 0.00 C ATOM 975 CD LYS A 63 -8.490 4.608 -0.121 1.00 0.00 C ATOM 976 CE LYS A 63 -9.108 5.521 -1.171 1.00 0.00 C ATOM 977 NZ LYS A 63 -9.478 4.776 -2.401 1.00 0.00 N ATOM 0 H LYS A 63 -6.053 3.894 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.770 6.510 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.861 7.168 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.078 6.788 -0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.652 4.698 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.825 5.956 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.659 4.057 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.227 3.871 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.994 6.003 -0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.403 6.313 -1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.752 5.449 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.665 4.214 -2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.277 4.142 -2.196 1.00 0.00 H new ATOM 991 N VAL A 64 -4.113 5.908 2.680 1.00 0.00 N ATOM 992 CA VAL A 64 -3.651 5.562 4.015 1.00 0.00 C ATOM 993 C VAL A 64 -4.646 6.054 5.061 1.00 0.00 C ATOM 994 O VAL A 64 -5.239 7.121 4.900 1.00 0.00 O ATOM 995 CB VAL A 64 -2.263 6.175 4.298 1.00 0.00 C ATOM 996 CG1 VAL A 64 -1.712 5.686 5.630 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.301 5.856 3.165 1.00 0.00 C ATOM 0 H VAL A 64 -3.642 6.715 2.270 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.571 4.476 4.070 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.374 7.257 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.733 6.133 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.391 5.974 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.616 4.600 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.327 6.295 3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.198 4.775 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.687 6.268 2.233 1.00 0.00 H new ATOM 1007 N VAL A 65 -4.839 5.265 6.113 1.00 0.00 N ATOM 1008 CA VAL A 65 -5.744 5.622 7.195 1.00 0.00 C ATOM 1009 C VAL A 65 -4.953 6.000 8.449 1.00 0.00 C ATOM 1010 O VAL A 65 -4.661 5.150 9.296 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.714 4.468 7.528 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.725 4.901 8.577 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.421 3.981 6.272 1.00 0.00 C ATOM 0 H VAL A 65 -4.374 4.365 6.238 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.330 6.478 6.860 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.132 3.641 7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.399 4.073 8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.202 5.195 9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.300 5.747 8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.100 3.168 6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.988 4.802 5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.683 3.624 5.554 1.00 0.00 H new ATOM 1023 N PRO A 66 -4.556 7.276 8.565 1.00 0.00 N ATOM 1024 CA PRO A 66 -3.759 7.754 9.687 1.00 0.00 C ATOM 1025 C PRO A 66 -4.613 8.120 10.895 1.00 0.00 C ATOM 1026 O PRO A 66 -5.840 8.199 10.800 1.00 0.00 O ATOM 1027 CB PRO A 66 -3.089 8.999 9.111 1.00 0.00 C ATOM 1028 CG PRO A 66 -4.083 9.543 8.143 1.00 0.00 C ATOM 1029 CD PRO A 66 -4.864 8.363 7.616 1.00 0.00 C ATOM 0 HA PRO A 66 -3.065 6.999 10.055 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.858 9.723 9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.149 8.752 8.618 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.745 10.260 8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.584 10.071 7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.933 8.574 7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.560 8.105 6.602 1.00 0.00 H new