USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.108 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.57) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc=-0.00644 (180deg=-0.119) USER MOD Single : A 21 THR OG1 : rot 44:sc= 0.495 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= -1.2 (180deg=-1.3) USER MOD Single : A 34 GLN : amide:sc=-0.00973 X(o=-0.0097,f=-0.0097) USER MOD Single : A 40 ASN : amide:sc= -1.24 K(o=-1.2,f=-9.9!) USER MOD Single : A 41 TYR OH : rot -124:sc= 0.676 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.11 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.820 6.614 -0.564 1.00 0.00 N ATOM 2 CA GLY A 1 21.541 6.002 -0.871 1.00 0.00 C ATOM 3 C GLY A 1 20.589 6.023 0.309 1.00 0.00 C ATOM 4 O GLY A 1 20.980 5.721 1.436 1.00 0.00 O ATOM 0 H1 GLY A 1 23.434 6.574 -1.402 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.673 7.606 -0.289 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.271 6.101 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.084 6.525 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.702 4.971 -1.186 1.00 0.00 H new ATOM 8 N SER A 2 19.335 6.382 0.050 1.00 0.00 N ATOM 9 CA SER A 2 18.327 6.447 1.100 1.00 0.00 C ATOM 10 C SER A 2 16.981 5.938 0.593 1.00 0.00 C ATOM 11 O SER A 2 16.614 6.162 -0.560 1.00 0.00 O ATOM 12 CB SER A 2 18.182 7.883 1.609 1.00 0.00 C ATOM 13 OG SER A 2 19.395 8.347 2.178 1.00 0.00 O ATOM 0 H SER A 2 18.994 6.632 -0.878 1.00 0.00 H new ATOM 0 HA SER A 2 18.652 5.808 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.889 8.536 0.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.386 7.930 2.352 1.00 0.00 H new ATOM 0 HG SER A 2 19.277 9.267 2.494 1.00 0.00 H new ATOM 19 N SER A 3 16.250 5.251 1.465 1.00 0.00 N ATOM 20 CA SER A 3 14.945 4.706 1.107 1.00 0.00 C ATOM 21 C SER A 3 13.856 5.764 1.247 1.00 0.00 C ATOM 22 O SER A 3 14.025 6.754 1.959 1.00 0.00 O ATOM 23 CB SER A 3 14.616 3.497 1.985 1.00 0.00 C ATOM 24 OG SER A 3 15.596 2.484 1.848 1.00 0.00 O ATOM 0 H SER A 3 16.539 5.058 2.424 1.00 0.00 H new ATOM 0 HA SER A 3 14.985 4.389 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.553 3.808 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.638 3.100 1.711 1.00 0.00 H new ATOM 0 HG SER A 3 15.363 1.724 2.421 1.00 0.00 H new ATOM 30 N GLY A 4 12.736 5.548 0.564 1.00 0.00 N ATOM 31 CA GLY A 4 11.635 6.491 0.625 1.00 0.00 C ATOM 32 C GLY A 4 10.646 6.303 -0.509 1.00 0.00 C ATOM 33 O GLY A 4 11.030 5.951 -1.624 1.00 0.00 O ATOM 0 H GLY A 4 12.572 4.736 -0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.117 6.378 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.029 7.507 0.595 1.00 0.00 H new ATOM 37 N SER A 5 9.370 6.534 -0.222 1.00 0.00 N ATOM 38 CA SER A 5 8.321 6.383 -1.225 1.00 0.00 C ATOM 39 C SER A 5 7.944 7.733 -1.825 1.00 0.00 C ATOM 40 O SER A 5 7.610 8.673 -1.105 1.00 0.00 O ATOM 41 CB SER A 5 7.086 5.723 -0.607 1.00 0.00 C ATOM 42 OG SER A 5 7.316 4.349 -0.353 1.00 0.00 O ATOM 0 H SER A 5 9.036 6.826 0.696 1.00 0.00 H new ATOM 0 HA SER A 5 8.704 5.746 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.826 6.229 0.323 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.235 5.834 -1.279 1.00 0.00 H new ATOM 0 HG SER A 5 6.513 3.951 0.043 1.00 0.00 H new ATOM 48 N SER A 6 8.002 7.821 -3.150 1.00 0.00 N ATOM 49 CA SER A 6 7.669 9.058 -3.849 1.00 0.00 C ATOM 50 C SER A 6 6.280 9.549 -3.455 1.00 0.00 C ATOM 51 O SER A 6 6.075 10.736 -3.212 1.00 0.00 O ATOM 52 CB SER A 6 7.738 8.846 -5.363 1.00 0.00 C ATOM 53 OG SER A 6 6.644 8.070 -5.819 1.00 0.00 O ATOM 0 H SER A 6 8.276 7.052 -3.761 1.00 0.00 H new ATOM 0 HA SER A 6 8.397 9.816 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.739 9.811 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.673 8.349 -5.622 1.00 0.00 H new ATOM 0 HG SER A 6 6.710 7.950 -6.789 1.00 0.00 H new ATOM 59 N GLY A 7 5.327 8.623 -3.395 1.00 0.00 N ATOM 60 CA GLY A 7 3.968 8.979 -3.029 1.00 0.00 C ATOM 61 C GLY A 7 2.939 8.060 -3.657 1.00 0.00 C ATOM 62 O GLY A 7 1.965 7.675 -3.010 1.00 0.00 O ATOM 0 H GLY A 7 5.472 7.633 -3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.867 8.946 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.769 10.006 -3.336 1.00 0.00 H new ATOM 66 N TRP A 8 3.154 7.708 -4.919 1.00 0.00 N ATOM 67 CA TRP A 8 2.236 6.829 -5.634 1.00 0.00 C ATOM 68 C TRP A 8 2.774 5.402 -5.680 1.00 0.00 C ATOM 69 O TRP A 8 2.654 4.715 -6.695 1.00 0.00 O ATOM 70 CB TRP A 8 2.005 7.346 -7.055 1.00 0.00 C ATOM 71 CG TRP A 8 1.288 8.661 -7.099 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.854 9.902 -7.165 1.00 0.00 C ATOM 73 CD2 TRP A 8 -0.130 8.865 -7.077 1.00 0.00 C ATOM 74 NE1 TRP A 8 0.875 10.865 -7.186 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.351 10.255 -7.134 1.00 0.00 C ATOM 76 CE3 TRP A 8 -1.233 8.009 -7.017 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.629 10.805 -7.131 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -2.501 8.558 -7.014 1.00 0.00 C ATOM 79 CH2 TRP A 8 -2.691 9.944 -7.072 1.00 0.00 C ATOM 0 H TRP A 8 3.956 8.018 -5.468 1.00 0.00 H new ATOM 0 HA TRP A 8 1.287 6.823 -5.098 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.967 7.448 -7.558 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.430 6.608 -7.614 1.00 0.00 H new ATOM 0 HD1 TRP A 8 2.916 10.098 -7.196 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.035 11.871 -7.233 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.097 6.938 -6.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.778 11.874 -7.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.361 7.906 -6.966 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.695 10.341 -7.070 1.00 0.00 H new ATOM 90 N THR A 9 3.366 4.962 -4.575 1.00 0.00 N ATOM 91 CA THR A 9 3.922 3.616 -4.491 1.00 0.00 C ATOM 92 C THR A 9 3.652 2.995 -3.125 1.00 0.00 C ATOM 93 O THR A 9 3.764 3.660 -2.095 1.00 0.00 O ATOM 94 CB THR A 9 5.442 3.619 -4.750 1.00 0.00 C ATOM 95 OG1 THR A 9 6.088 4.536 -3.859 1.00 0.00 O ATOM 96 CG2 THR A 9 5.744 4.005 -6.189 1.00 0.00 C ATOM 0 H THR A 9 3.473 5.517 -3.726 1.00 0.00 H new ATOM 0 HA THR A 9 3.431 3.022 -5.261 1.00 0.00 H new ATOM 0 HB THR A 9 5.821 2.613 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.053 4.531 -4.028 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.822 4.000 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.274 3.289 -6.864 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.352 5.002 -6.388 1.00 0.00 H new ATOM 104 N CYS A 10 3.296 1.714 -3.123 1.00 0.00 N ATOM 105 CA CYS A 10 3.010 1.002 -1.884 1.00 0.00 C ATOM 106 C CYS A 10 4.151 0.055 -1.526 1.00 0.00 C ATOM 107 O CYS A 10 4.725 -0.601 -2.396 1.00 0.00 O ATOM 108 CB CYS A 10 1.703 0.217 -2.014 1.00 0.00 C ATOM 109 SG CYS A 10 0.204 1.230 -1.796 1.00 0.00 S ATOM 0 H CYS A 10 3.199 1.148 -3.966 1.00 0.00 H new ATOM 0 HA CYS A 10 2.907 1.737 -1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.671 -0.254 -2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.698 -0.585 -1.275 1.00 0.00 H new ATOM 114 N ASN A 11 4.475 -0.013 -0.239 1.00 0.00 N ATOM 115 CA ASN A 11 5.547 -0.880 0.236 1.00 0.00 C ATOM 116 C ASN A 11 4.982 -2.138 0.887 1.00 0.00 C ATOM 117 O ASN A 11 3.812 -2.182 1.268 1.00 0.00 O ATOM 118 CB ASN A 11 6.435 -0.130 1.232 1.00 0.00 C ATOM 119 CG ASN A 11 7.816 -0.744 1.352 1.00 0.00 C ATOM 120 OD1 ASN A 11 8.438 -1.101 0.350 1.00 0.00 O ATOM 121 ND2 ASN A 11 8.304 -0.869 2.580 1.00 0.00 N ATOM 0 H ASN A 11 4.010 0.522 0.494 1.00 0.00 H new ATOM 0 HA ASN A 11 6.148 -1.177 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.529 0.910 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.956 -0.127 2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.229 -1.274 2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.754 -0.560 3.381 1.00 0.00 H new ATOM 128 N LYS A 12 5.821 -3.161 1.013 1.00 0.00 N ATOM 129 CA LYS A 12 5.408 -4.420 1.620 1.00 0.00 C ATOM 130 C LYS A 12 4.696 -4.178 2.947 1.00 0.00 C ATOM 131 O LYS A 12 3.512 -4.483 3.093 1.00 0.00 O ATOM 132 CB LYS A 12 6.621 -5.327 1.838 1.00 0.00 C ATOM 133 CG LYS A 12 7.356 -5.680 0.557 1.00 0.00 C ATOM 134 CD LYS A 12 6.543 -6.629 -0.309 1.00 0.00 C ATOM 135 CE LYS A 12 6.700 -8.071 0.147 1.00 0.00 C ATOM 136 NZ LYS A 12 5.849 -8.999 -0.648 1.00 0.00 N ATOM 0 H LYS A 12 6.792 -3.142 0.702 1.00 0.00 H new ATOM 0 HA LYS A 12 4.712 -4.911 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.314 -4.835 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.294 -6.246 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.572 -4.770 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.314 -6.139 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.491 -6.347 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.861 -6.538 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.745 -8.369 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.436 -8.149 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.984 -9.972 -0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.850 -8.731 -0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.118 -8.943 -1.651 1.00 0.00 H new ATOM 150 N PHE A 13 5.424 -3.623 3.911 1.00 0.00 N ATOM 151 CA PHE A 13 4.860 -3.339 5.225 1.00 0.00 C ATOM 152 C PHE A 13 3.645 -2.424 5.110 1.00 0.00 C ATOM 153 O PHE A 13 2.631 -2.635 5.775 1.00 0.00 O ATOM 154 CB PHE A 13 5.915 -2.692 6.126 1.00 0.00 C ATOM 155 CG PHE A 13 5.716 -2.983 7.587 1.00 0.00 C ATOM 156 CD1 PHE A 13 6.160 -4.175 8.136 1.00 0.00 C ATOM 157 CD2 PHE A 13 5.085 -2.065 8.409 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.979 -4.445 9.479 1.00 0.00 C ATOM 159 CE2 PHE A 13 4.901 -2.329 9.753 1.00 0.00 C ATOM 160 CZ PHE A 13 5.348 -3.521 10.288 1.00 0.00 C ATOM 0 H PHE A 13 6.404 -3.361 3.807 1.00 0.00 H new ATOM 0 HA PHE A 13 4.541 -4.283 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.902 -3.042 5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.899 -1.613 5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.653 -4.901 7.507 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.732 -1.132 7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.331 -5.377 9.895 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.408 -1.604 10.384 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.204 -3.730 11.338 1.00 0.00 H new ATOM 170 N ARG A 14 3.755 -1.407 4.261 1.00 0.00 N ATOM 171 CA ARG A 14 2.666 -0.459 4.060 1.00 0.00 C ATOM 172 C ARG A 14 1.338 -1.188 3.879 1.00 0.00 C ATOM 173 O ARG A 14 0.361 -0.900 4.571 1.00 0.00 O ATOM 174 CB ARG A 14 2.947 0.421 2.841 1.00 0.00 C ATOM 175 CG ARG A 14 3.822 1.626 3.148 1.00 0.00 C ATOM 176 CD ARG A 14 2.993 2.807 3.628 1.00 0.00 C ATOM 177 NE ARG A 14 2.382 3.533 2.519 1.00 0.00 N ATOM 178 CZ ARG A 14 1.985 4.799 2.598 1.00 0.00 C ATOM 179 NH1 ARG A 14 2.135 5.474 3.730 1.00 0.00 N ATOM 180 NH2 ARG A 14 1.437 5.391 1.546 1.00 0.00 N ATOM 0 H ARG A 14 4.587 -1.219 3.702 1.00 0.00 H new ATOM 0 HA ARG A 14 2.597 0.171 4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.430 -0.182 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.000 0.767 2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.555 1.361 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.379 1.910 2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.214 2.453 4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.626 3.485 4.201 1.00 0.00 H new ATOM 0 HE ARG A 14 2.253 3.042 1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.556 5.022 4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.830 6.445 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.319 4.875 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.133 6.363 1.608 1.00 0.00 H new ATOM 194 N CYS A 15 1.308 -2.132 2.945 1.00 0.00 N ATOM 195 CA CYS A 15 0.100 -2.901 2.672 1.00 0.00 C ATOM 196 C CYS A 15 -0.547 -3.375 3.969 1.00 0.00 C ATOM 197 O CYS A 15 -0.059 -4.300 4.617 1.00 0.00 O ATOM 198 CB CYS A 15 0.426 -4.102 1.782 1.00 0.00 C ATOM 199 SG CYS A 15 1.058 -3.657 0.132 1.00 0.00 S ATOM 0 H CYS A 15 2.108 -2.383 2.364 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.605 -2.252 2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.165 -4.724 2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.473 -4.707 1.664 1.00 0.00 H new ATOM 204 N GLY A 16 -1.651 -2.734 4.342 1.00 0.00 N ATOM 205 CA GLY A 16 -2.349 -3.104 5.559 1.00 0.00 C ATOM 206 C GLY A 16 -2.002 -2.198 6.724 1.00 0.00 C ATOM 207 O GLY A 16 -1.779 -2.668 7.838 1.00 0.00 O ATOM 0 H GLY A 16 -2.074 -1.965 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.424 -3.069 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.102 -4.134 5.817 1.00 0.00 H new ATOM 211 N GLU A 17 -1.956 -0.895 6.464 1.00 0.00 N ATOM 212 CA GLU A 17 -1.632 0.079 7.500 1.00 0.00 C ATOM 213 C GLU A 17 -2.889 0.788 7.994 1.00 0.00 C ATOM 214 O GLU A 17 -3.954 0.688 7.382 1.00 0.00 O ATOM 215 CB GLU A 17 -0.629 1.106 6.971 1.00 0.00 C ATOM 216 CG GLU A 17 -1.139 1.896 5.777 1.00 0.00 C ATOM 217 CD GLU A 17 -0.511 3.272 5.677 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.331 3.920 6.729 1.00 0.00 O ATOM 219 OE2 GLU A 17 -0.199 3.701 4.545 1.00 0.00 O ATOM 0 H GLU A 17 -2.139 -0.490 5.546 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.185 -0.457 8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.375 1.799 7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.290 0.592 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.933 1.339 4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.222 1.999 5.850 1.00 0.00 H new ATOM 226 N LYS A 18 -2.760 1.504 9.105 1.00 0.00 N ATOM 227 CA LYS A 18 -3.885 2.231 9.682 1.00 0.00 C ATOM 228 C LYS A 18 -4.305 3.388 8.780 1.00 0.00 C ATOM 229 O LYS A 18 -3.630 3.699 7.799 1.00 0.00 O ATOM 230 CB LYS A 18 -3.518 2.761 11.070 1.00 0.00 C ATOM 231 CG LYS A 18 -3.056 1.680 12.031 1.00 0.00 C ATOM 232 CD LYS A 18 -2.387 2.274 13.260 1.00 0.00 C ATOM 233 CE LYS A 18 -2.546 1.370 14.472 1.00 0.00 C ATOM 234 NZ LYS A 18 -3.937 1.392 15.003 1.00 0.00 N ATOM 0 H LYS A 18 -1.887 1.597 9.625 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.723 1.541 9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.729 3.506 10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.383 3.269 11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.910 1.075 12.337 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.359 1.014 11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.327 2.431 13.059 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.819 3.251 13.474 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.277 0.349 14.201 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.854 1.685 15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.946 1.009 15.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.289 2.371 15.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.550 0.811 14.396 1.00 0.00 H new ATOM 248 N ARG A 19 -5.424 4.020 9.119 1.00 0.00 N ATOM 249 CA ARG A 19 -5.934 5.142 8.340 1.00 0.00 C ATOM 250 C ARG A 19 -4.791 6.015 7.833 1.00 0.00 C ATOM 251 O ARG A 19 -3.961 6.486 8.611 1.00 0.00 O ATOM 252 CB ARG A 19 -6.896 5.981 9.184 1.00 0.00 C ATOM 253 CG ARG A 19 -7.868 5.151 10.005 1.00 0.00 C ATOM 254 CD ARG A 19 -7.337 4.895 11.406 1.00 0.00 C ATOM 255 NE ARG A 19 -7.764 5.923 12.351 1.00 0.00 N ATOM 256 CZ ARG A 19 -7.107 6.214 13.468 1.00 0.00 C ATOM 257 NH1 ARG A 19 -5.999 5.557 13.780 1.00 0.00 N ATOM 258 NH2 ARG A 19 -7.559 7.164 14.277 1.00 0.00 N ATOM 0 H ARG A 19 -5.995 3.774 9.928 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.471 4.741 7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.318 6.617 9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.461 6.642 8.527 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.826 5.667 10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.049 4.200 9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.681 3.920 11.751 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.248 4.857 11.379 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.614 6.447 12.142 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.649 4.826 13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.497 5.783 14.639 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.412 7.671 14.041 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.054 7.387 15.135 1.00 0.00 H new ATOM 272 N LEU A 20 -4.752 6.228 6.522 1.00 0.00 N ATOM 273 CA LEU A 20 -3.711 7.044 5.909 1.00 0.00 C ATOM 274 C LEU A 20 -3.837 8.502 6.341 1.00 0.00 C ATOM 275 O LEU A 20 -4.906 8.947 6.760 1.00 0.00 O ATOM 276 CB LEU A 20 -3.787 6.944 4.385 1.00 0.00 C ATOM 277 CG LEU A 20 -4.957 7.672 3.721 1.00 0.00 C ATOM 278 CD1 LEU A 20 -6.258 7.358 4.442 1.00 0.00 C ATOM 279 CD2 LEU A 20 -4.707 9.173 3.699 1.00 0.00 C ATOM 0 H LEU A 20 -5.430 5.846 5.863 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.745 6.667 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.859 7.335 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.839 5.890 4.112 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.041 7.322 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.080 7.884 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.444 6.284 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.185 7.680 5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.549 9.675 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.596 9.538 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.796 9.382 3.138 1.00 0.00 H new ATOM 291 N THR A 21 -2.738 9.243 6.235 1.00 0.00 N ATOM 292 CA THR A 21 -2.725 10.651 6.613 1.00 0.00 C ATOM 293 C THR A 21 -2.033 11.498 5.552 1.00 0.00 C ATOM 294 O THR A 21 -0.806 11.512 5.457 1.00 0.00 O ATOM 295 CB THR A 21 -2.019 10.862 7.965 1.00 0.00 C ATOM 296 OG1 THR A 21 -0.721 10.256 7.940 1.00 0.00 O ATOM 297 CG2 THR A 21 -2.837 10.272 9.102 1.00 0.00 C ATOM 0 H THR A 21 -1.845 8.891 5.890 1.00 0.00 H new ATOM 0 HA THR A 21 -3.765 10.965 6.702 1.00 0.00 H new ATOM 0 HB THR A 21 -1.916 11.934 8.132 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.281 10.461 7.089 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.317 10.434 10.046 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.813 10.756 9.137 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.968 9.202 8.939 1.00 0.00 H new ATOM 305 N ARG A 22 -2.828 12.207 4.756 1.00 0.00 N ATOM 306 CA ARG A 22 -2.292 13.057 3.701 1.00 0.00 C ATOM 307 C ARG A 22 -1.457 12.243 2.717 1.00 0.00 C ATOM 308 O ARG A 22 -0.390 12.678 2.284 1.00 0.00 O ATOM 309 CB ARG A 22 -1.440 14.177 4.303 1.00 0.00 C ATOM 310 CG ARG A 22 -2.190 15.043 5.302 1.00 0.00 C ATOM 311 CD ARG A 22 -1.609 16.446 5.370 1.00 0.00 C ATOM 312 NE ARG A 22 -1.935 17.113 6.628 1.00 0.00 N ATOM 313 CZ ARG A 22 -1.230 16.963 7.743 1.00 0.00 C ATOM 314 NH1 ARG A 22 -0.165 16.174 7.757 1.00 0.00 N ATOM 315 NH2 ARG A 22 -1.589 17.604 8.848 1.00 0.00 N ATOM 0 H ARG A 22 -3.846 12.209 4.823 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.131 13.496 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.573 13.737 4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.064 14.808 3.498 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.242 15.097 5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.147 14.582 6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.526 16.396 5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.990 17.037 4.537 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.749 17.728 6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.115 15.680 6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.375 16.061 8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.407 18.213 8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.047 17.488 9.704 1.00 0.00 H new ATOM 329 N SER A 23 -1.951 11.058 2.369 1.00 0.00 N ATOM 330 CA SER A 23 -1.248 10.181 1.440 1.00 0.00 C ATOM 331 C SER A 23 -1.981 10.108 0.103 1.00 0.00 C ATOM 332 O SER A 23 -3.176 9.814 0.052 1.00 0.00 O ATOM 333 CB SER A 23 -1.111 8.778 2.035 1.00 0.00 C ATOM 334 OG SER A 23 -0.104 8.745 3.033 1.00 0.00 O ATOM 0 H SER A 23 -2.834 10.684 2.716 1.00 0.00 H new ATOM 0 HA SER A 23 -0.254 10.595 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.063 8.467 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.869 8.066 1.246 1.00 0.00 H new ATOM 0 HG SER A 23 -0.036 7.839 3.400 1.00 0.00 H new ATOM 340 N LEU A 24 -1.255 10.379 -0.977 1.00 0.00 N ATOM 341 CA LEU A 24 -1.835 10.345 -2.315 1.00 0.00 C ATOM 342 C LEU A 24 -2.694 9.100 -2.505 1.00 0.00 C ATOM 343 O LEU A 24 -3.864 9.191 -2.879 1.00 0.00 O ATOM 344 CB LEU A 24 -0.728 10.380 -3.371 1.00 0.00 C ATOM 345 CG LEU A 24 0.214 11.583 -3.317 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.379 11.393 -4.275 1.00 0.00 C ATOM 347 CD2 LEU A 24 -0.540 12.866 -3.637 1.00 0.00 C ATOM 0 H LEU A 24 -0.265 10.624 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.470 11.223 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.132 9.473 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.193 10.352 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 24 0.613 11.663 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.038 12.259 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.935 10.497 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.000 11.286 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.146 13.712 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.968 12.797 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.339 13.010 -2.910 1.00 0.00 H new ATOM 359 N CYS A 25 -2.109 7.936 -2.243 1.00 0.00 N ATOM 360 CA CYS A 25 -2.820 6.672 -2.383 1.00 0.00 C ATOM 361 C CYS A 25 -2.995 5.993 -1.027 1.00 0.00 C ATOM 362 O CYS A 25 -2.406 6.413 -0.031 1.00 0.00 O ATOM 363 CB CYS A 25 -2.069 5.743 -3.338 1.00 0.00 C ATOM 364 SG CYS A 25 -0.808 4.707 -2.530 1.00 0.00 S ATOM 0 H CYS A 25 -1.142 7.843 -1.932 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.807 6.883 -2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.789 5.096 -3.839 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.589 6.344 -4.110 1.00 0.00 H new ATOM 369 N ALA A 26 -3.805 4.941 -0.998 1.00 0.00 N ATOM 370 CA ALA A 26 -4.055 4.202 0.233 1.00 0.00 C ATOM 371 C ALA A 26 -3.597 2.753 0.106 1.00 0.00 C ATOM 372 O ALA A 26 -4.128 1.992 -0.703 1.00 0.00 O ATOM 373 CB ALA A 26 -5.532 4.262 0.594 1.00 0.00 C ATOM 0 H ALA A 26 -4.300 4.581 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.478 4.669 1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.704 3.706 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.830 5.301 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.121 3.822 -0.211 1.00 0.00 H new ATOM 379 N CYS A 27 -2.608 2.378 0.911 1.00 0.00 N ATOM 380 CA CYS A 27 -2.077 1.020 0.889 1.00 0.00 C ATOM 381 C CYS A 27 -2.808 0.134 1.893 1.00 0.00 C ATOM 382 O CYS A 27 -2.188 -0.656 2.605 1.00 0.00 O ATOM 383 CB CYS A 27 -0.578 1.031 1.198 1.00 0.00 C ATOM 384 SG CYS A 27 0.413 2.018 0.032 1.00 0.00 S ATOM 0 H CYS A 27 -2.158 2.996 1.587 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.232 0.612 -0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.428 1.420 2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.209 0.005 1.194 1.00 0.00 H new ATOM 389 N SER A 28 -4.129 0.271 1.944 1.00 0.00 N ATOM 390 CA SER A 28 -4.944 -0.515 2.863 1.00 0.00 C ATOM 391 C SER A 28 -5.986 -1.330 2.103 1.00 0.00 C ATOM 392 O SER A 28 -6.231 -1.097 0.919 1.00 0.00 O ATOM 393 CB SER A 28 -5.637 0.401 3.874 1.00 0.00 C ATOM 394 OG SER A 28 -6.567 1.258 3.234 1.00 0.00 O ATOM 0 H SER A 28 -4.658 0.919 1.360 1.00 0.00 H new ATOM 0 HA SER A 28 -4.287 -1.202 3.396 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.150 -0.202 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.891 0.997 4.400 1.00 0.00 H new ATOM 0 HG SER A 28 -6.997 1.831 3.902 1.00 0.00 H new ATOM 400 N ASP A 29 -6.595 -2.290 2.792 1.00 0.00 N ATOM 401 CA ASP A 29 -7.611 -3.141 2.184 1.00 0.00 C ATOM 402 C ASP A 29 -8.962 -2.434 2.149 1.00 0.00 C ATOM 403 O ASP A 29 -9.996 -3.034 2.443 1.00 0.00 O ATOM 404 CB ASP A 29 -7.730 -4.457 2.953 1.00 0.00 C ATOM 405 CG ASP A 29 -8.415 -5.541 2.143 1.00 0.00 C ATOM 406 OD1 ASP A 29 -9.639 -5.433 1.925 1.00 0.00 O ATOM 407 OD2 ASP A 29 -7.726 -6.496 1.728 1.00 0.00 O ATOM 0 H ASP A 29 -6.402 -2.498 3.772 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.306 -3.354 1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.735 -4.797 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.289 -4.287 3.873 1.00 0.00 H new ATOM 412 N ASP A 30 -8.946 -1.156 1.789 1.00 0.00 N ATOM 413 CA ASP A 30 -10.170 -0.366 1.716 1.00 0.00 C ATOM 414 C ASP A 30 -10.230 0.426 0.414 1.00 0.00 C ATOM 415 O ASP A 30 -11.305 0.643 -0.145 1.00 0.00 O ATOM 416 CB ASP A 30 -10.262 0.584 2.911 1.00 0.00 C ATOM 417 CG ASP A 30 -10.139 -0.139 4.237 1.00 0.00 C ATOM 418 OD1 ASP A 30 -9.188 -0.934 4.395 1.00 0.00 O ATOM 419 OD2 ASP A 30 -10.993 0.090 5.119 1.00 0.00 O ATOM 0 H ASP A 30 -8.099 -0.644 1.543 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.017 -1.052 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.475 1.335 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.213 1.115 2.877 1.00 0.00 H new ATOM 424 N CYS A 31 -9.066 0.857 -0.062 1.00 0.00 N ATOM 425 CA CYS A 31 -8.985 1.627 -1.298 1.00 0.00 C ATOM 426 C CYS A 31 -9.746 0.932 -2.423 1.00 0.00 C ATOM 427 O CYS A 31 -10.496 1.567 -3.165 1.00 0.00 O ATOM 428 CB CYS A 31 -7.523 1.825 -1.704 1.00 0.00 C ATOM 429 SG CYS A 31 -6.735 0.337 -2.400 1.00 0.00 S ATOM 0 H CYS A 31 -8.167 0.686 0.389 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.442 2.601 -1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.467 2.629 -2.437 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.956 2.149 -0.831 1.00 0.00 H new ATOM 434 N LYS A 32 -9.548 -0.376 -2.545 1.00 0.00 N ATOM 435 CA LYS A 32 -10.216 -1.159 -3.577 1.00 0.00 C ATOM 436 C LYS A 32 -11.672 -0.728 -3.731 1.00 0.00 C ATOM 437 O LYS A 32 -12.187 -0.636 -4.845 1.00 0.00 O ATOM 438 CB LYS A 32 -10.148 -2.650 -3.240 1.00 0.00 C ATOM 439 CG LYS A 32 -8.894 -3.333 -3.758 1.00 0.00 C ATOM 440 CD LYS A 32 -7.769 -3.282 -2.738 1.00 0.00 C ATOM 441 CE LYS A 32 -7.798 -4.490 -1.815 1.00 0.00 C ATOM 442 NZ LYS A 32 -9.069 -4.567 -1.043 1.00 0.00 N ATOM 0 H LYS A 32 -8.929 -0.917 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.701 -0.982 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.198 -2.772 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.023 -3.149 -3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.119 -4.371 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.571 -2.852 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.810 -3.240 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.853 -2.370 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.674 -5.399 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.956 -4.440 -1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.003 -5.332 -0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.234 -3.663 -0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.858 -4.759 -1.692 1.00 0.00 H new ATOM 456 N ASP A 33 -12.327 -0.462 -2.606 1.00 0.00 N ATOM 457 CA ASP A 33 -13.722 -0.038 -2.616 1.00 0.00 C ATOM 458 C ASP A 33 -13.862 1.355 -3.220 1.00 0.00 C ATOM 459 O ASP A 33 -14.694 1.580 -4.098 1.00 0.00 O ATOM 460 CB ASP A 33 -14.291 -0.052 -1.197 1.00 0.00 C ATOM 461 CG ASP A 33 -15.710 0.479 -1.137 1.00 0.00 C ATOM 462 OD1 ASP A 33 -16.436 0.349 -2.146 1.00 0.00 O ATOM 463 OD2 ASP A 33 -16.096 1.024 -0.082 1.00 0.00 O ATOM 0 H ASP A 33 -11.914 -0.533 -1.676 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.285 -0.739 -3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.271 -1.071 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.654 0.548 -0.547 1.00 0.00 H new ATOM 468 N GLN A 34 -13.043 2.286 -2.743 1.00 0.00 N ATOM 469 CA GLN A 34 -13.077 3.658 -3.236 1.00 0.00 C ATOM 470 C GLN A 34 -12.516 3.743 -4.652 1.00 0.00 C ATOM 471 O GLN A 34 -13.236 4.059 -5.598 1.00 0.00 O ATOM 472 CB GLN A 34 -12.284 4.577 -2.305 1.00 0.00 C ATOM 473 CG GLN A 34 -12.886 4.699 -0.915 1.00 0.00 C ATOM 474 CD GLN A 34 -14.144 5.544 -0.894 1.00 0.00 C ATOM 475 OE1 GLN A 34 -14.083 6.772 -0.954 1.00 0.00 O ATOM 476 NE2 GLN A 34 -15.296 4.889 -0.811 1.00 0.00 N ATOM 0 H GLN A 34 -12.348 2.116 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.117 3.983 -3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.264 4.201 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.221 5.569 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.115 3.704 -0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.149 5.136 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.301 3.870 -0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.176 5.405 -0.795 1.00 0.00 H new ATOM 485 N GLY A 35 -11.225 3.458 -4.790 1.00 0.00 N ATOM 486 CA GLY A 35 -10.589 3.508 -6.094 1.00 0.00 C ATOM 487 C GLY A 35 -9.426 4.480 -6.134 1.00 0.00 C ATOM 488 O GLY A 35 -9.275 5.238 -7.092 1.00 0.00 O ATOM 0 H GLY A 35 -10.608 3.193 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.236 2.512 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.326 3.797 -6.844 1.00 0.00 H new ATOM 492 N ASP A 36 -8.603 4.460 -5.091 1.00 0.00 N ATOM 493 CA ASP A 36 -7.448 5.347 -5.011 1.00 0.00 C ATOM 494 C ASP A 36 -6.204 4.580 -4.573 1.00 0.00 C ATOM 495 O ASP A 36 -5.434 5.052 -3.735 1.00 0.00 O ATOM 496 CB ASP A 36 -7.726 6.494 -4.038 1.00 0.00 C ATOM 497 CG ASP A 36 -8.837 7.405 -4.519 1.00 0.00 C ATOM 498 OD1 ASP A 36 -8.596 8.189 -5.462 1.00 0.00 O ATOM 499 OD2 ASP A 36 -9.948 7.335 -3.954 1.00 0.00 O ATOM 0 H ASP A 36 -8.714 3.839 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.267 5.760 -6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.993 6.084 -3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.816 7.078 -3.900 1.00 0.00 H new ATOM 504 N CYS A 37 -6.014 3.395 -5.143 1.00 0.00 N ATOM 505 CA CYS A 37 -4.864 2.563 -4.811 1.00 0.00 C ATOM 506 C CYS A 37 -3.678 2.887 -5.714 1.00 0.00 C ATOM 507 O CYS A 37 -3.823 3.003 -6.931 1.00 0.00 O ATOM 508 CB CYS A 37 -5.228 1.082 -4.939 1.00 0.00 C ATOM 509 SG CYS A 37 -6.925 0.683 -4.413 1.00 0.00 S ATOM 0 H CYS A 37 -6.642 2.989 -5.837 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.580 2.774 -3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.100 0.776 -5.977 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.528 0.495 -4.345 1.00 0.00 H new ATOM 514 N CYS A 38 -2.504 3.032 -5.108 1.00 0.00 N ATOM 515 CA CYS A 38 -1.291 3.343 -5.855 1.00 0.00 C ATOM 516 C CYS A 38 -1.248 2.568 -7.169 1.00 0.00 C ATOM 517 O CYS A 38 -1.894 1.529 -7.311 1.00 0.00 O ATOM 518 CB CYS A 38 -0.053 3.019 -5.018 1.00 0.00 C ATOM 519 SG CYS A 38 0.535 4.405 -3.991 1.00 0.00 S ATOM 0 H CYS A 38 -2.367 2.939 -4.102 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.298 4.409 -6.082 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.277 2.171 -4.371 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.752 2.708 -5.684 1.00 0.00 H new ATOM 524 N ILE A 39 -0.482 3.079 -8.127 1.00 0.00 N ATOM 525 CA ILE A 39 -0.353 2.435 -9.428 1.00 0.00 C ATOM 526 C ILE A 39 0.230 1.032 -9.291 1.00 0.00 C ATOM 527 O ILE A 39 0.028 0.178 -10.153 1.00 0.00 O ATOM 528 CB ILE A 39 0.537 3.257 -10.379 1.00 0.00 C ATOM 529 CG1 ILE A 39 0.748 2.504 -11.693 1.00 0.00 C ATOM 530 CG2 ILE A 39 1.872 3.567 -9.719 1.00 0.00 C ATOM 531 CD1 ILE A 39 1.114 3.404 -12.853 1.00 0.00 C ATOM 0 H ILE A 39 0.059 3.938 -8.026 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.357 2.371 -9.848 1.00 0.00 H new ATOM 0 HB ILE A 39 0.035 4.199 -10.599 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.536 1.763 -11.556 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.163 1.958 -11.940 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.490 4.148 -10.403 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.703 4.140 -8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.381 2.635 -9.473 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.248 2.802 -13.752 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.316 4.129 -13.017 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.041 3.930 -12.627 1.00 0.00 H new ATOM 543 N ASN A 40 0.953 0.802 -8.200 1.00 0.00 N ATOM 544 CA ASN A 40 1.564 -0.498 -7.948 1.00 0.00 C ATOM 545 C ASN A 40 1.131 -1.050 -6.593 1.00 0.00 C ATOM 546 O ASN A 40 1.953 -1.547 -5.822 1.00 0.00 O ATOM 547 CB ASN A 40 3.090 -0.386 -8.002 1.00 0.00 C ATOM 548 CG ASN A 40 3.625 0.673 -7.058 1.00 0.00 C ATOM 549 OD1 ASN A 40 3.270 1.847 -7.159 1.00 0.00 O ATOM 550 ND2 ASN A 40 4.485 0.262 -6.134 1.00 0.00 N ATOM 0 H ASN A 40 1.130 1.499 -7.476 1.00 0.00 H new ATOM 0 HA ASN A 40 1.229 -1.186 -8.724 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.532 -1.350 -7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.399 -0.150 -9.021 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.879 0.930 -5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.751 -0.721 -6.087 1.00 0.00 H new ATOM 557 N TYR A 41 -0.164 -0.961 -6.311 1.00 0.00 N ATOM 558 CA TYR A 41 -0.706 -1.451 -5.049 1.00 0.00 C ATOM 559 C TYR A 41 -0.792 -2.973 -5.047 1.00 0.00 C ATOM 560 O TYR A 41 -0.285 -3.633 -4.141 1.00 0.00 O ATOM 561 CB TYR A 41 -2.091 -0.851 -4.799 1.00 0.00 C ATOM 562 CG TYR A 41 -2.825 -1.485 -3.640 1.00 0.00 C ATOM 563 CD1 TYR A 41 -3.555 -2.655 -3.812 1.00 0.00 C ATOM 564 CD2 TYR A 41 -2.788 -0.916 -2.373 1.00 0.00 C ATOM 565 CE1 TYR A 41 -4.229 -3.237 -2.755 1.00 0.00 C ATOM 566 CE2 TYR A 41 -3.457 -1.492 -1.311 1.00 0.00 C ATOM 567 CZ TYR A 41 -4.176 -2.653 -1.507 1.00 0.00 C ATOM 568 OH TYR A 41 -4.845 -3.231 -0.453 1.00 0.00 O ATOM 0 H TYR A 41 -0.858 -0.554 -6.939 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.033 -1.143 -4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.986 0.218 -4.611 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.693 -0.958 -5.702 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.596 -3.117 -4.787 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.226 -0.007 -2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.794 -4.145 -2.906 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.418 -1.036 -0.333 1.00 0.00 H new ATOM 0 HH TYR A 41 -5.455 -2.576 -0.054 1.00 0.00 H new ATOM 578 N SER A 42 -1.437 -3.525 -6.070 1.00 0.00 N ATOM 579 CA SER A 42 -1.593 -4.971 -6.186 1.00 0.00 C ATOM 580 C SER A 42 -0.266 -5.633 -6.543 1.00 0.00 C ATOM 581 O SER A 42 0.025 -6.743 -6.097 1.00 0.00 O ATOM 582 CB SER A 42 -2.645 -5.308 -7.244 1.00 0.00 C ATOM 583 OG SER A 42 -2.122 -5.154 -8.551 1.00 0.00 O ATOM 0 H SER A 42 -1.860 -2.993 -6.831 1.00 0.00 H new ATOM 0 HA SER A 42 -1.923 -5.355 -5.221 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.989 -6.333 -7.105 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.513 -4.660 -7.118 1.00 0.00 H new ATOM 0 HG SER A 42 -2.814 -5.377 -9.208 1.00 0.00 H new ATOM 589 N SER A 43 0.535 -4.943 -7.348 1.00 0.00 N ATOM 590 CA SER A 43 1.830 -5.465 -7.769 1.00 0.00 C ATOM 591 C SER A 43 2.714 -5.762 -6.562 1.00 0.00 C ATOM 592 O SER A 43 3.477 -6.727 -6.560 1.00 0.00 O ATOM 593 CB SER A 43 2.529 -4.468 -8.695 1.00 0.00 C ATOM 594 OG SER A 43 3.902 -4.784 -8.841 1.00 0.00 O ATOM 0 H SER A 43 0.310 -4.021 -7.722 1.00 0.00 H new ATOM 0 HA SER A 43 1.660 -6.395 -8.311 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.045 -4.474 -9.672 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.425 -3.460 -8.294 1.00 0.00 H new ATOM 0 HG SER A 43 4.326 -4.133 -9.439 1.00 0.00 H new ATOM 600 N VAL A 44 2.604 -4.923 -5.536 1.00 0.00 N ATOM 601 CA VAL A 44 3.393 -5.096 -4.322 1.00 0.00 C ATOM 602 C VAL A 44 2.607 -5.859 -3.260 1.00 0.00 C ATOM 603 O VAL A 44 3.086 -6.853 -2.714 1.00 0.00 O ATOM 604 CB VAL A 44 3.834 -3.738 -3.741 1.00 0.00 C ATOM 605 CG1 VAL A 44 4.534 -3.930 -2.405 1.00 0.00 C ATOM 606 CG2 VAL A 44 4.734 -3.007 -4.725 1.00 0.00 C ATOM 0 H VAL A 44 1.977 -4.118 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 44 4.278 -5.670 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 44 2.946 -3.128 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.838 -2.960 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.852 -4.410 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.414 -4.558 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.037 -2.050 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.619 -3.611 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.192 -2.836 -5.655 1.00 0.00 H new ATOM 616 N CYS A 45 1.399 -5.387 -2.972 1.00 0.00 N ATOM 617 CA CYS A 45 0.546 -6.023 -1.977 1.00 0.00 C ATOM 618 C CYS A 45 0.239 -7.466 -2.366 1.00 0.00 C ATOM 619 O CYS A 45 0.270 -8.365 -1.527 1.00 0.00 O ATOM 620 CB CYS A 45 -0.757 -5.238 -1.815 1.00 0.00 C ATOM 621 SG CYS A 45 -0.540 -3.574 -1.107 1.00 0.00 S ATOM 0 H CYS A 45 0.989 -4.565 -3.415 1.00 0.00 H new ATOM 0 HA CYS A 45 1.080 -6.028 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.237 -5.147 -2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.434 -5.807 -1.178 1.00 0.00 H new ATOM 626 N GLN A 46 -0.057 -7.678 -3.645 1.00 0.00 N ATOM 627 CA GLN A 46 -0.371 -9.011 -4.145 1.00 0.00 C ATOM 628 C GLN A 46 0.546 -9.387 -5.304 1.00 0.00 C ATOM 629 O GLN A 46 1.471 -8.649 -5.641 1.00 0.00 O ATOM 630 CB GLN A 46 -1.832 -9.081 -4.592 1.00 0.00 C ATOM 631 CG GLN A 46 -2.824 -9.005 -3.443 1.00 0.00 C ATOM 632 CD GLN A 46 -3.164 -10.368 -2.874 1.00 0.00 C ATOM 633 OE1 GLN A 46 -2.308 -11.048 -2.307 1.00 0.00 O ATOM 634 NE2 GLN A 46 -4.419 -10.776 -3.024 1.00 0.00 N ATOM 0 H GLN A 46 -0.086 -6.944 -4.353 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.213 -9.722 -3.334 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.030 -8.265 -5.287 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.992 -10.011 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.411 -8.378 -2.653 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.738 -8.522 -3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.096 -10.180 -3.501 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.706 -11.686 -2.663 1.00 0.00 H new ATOM 643 N GLY A 47 0.284 -10.540 -5.910 1.00 0.00 N ATOM 644 CA GLY A 47 1.095 -10.995 -7.025 1.00 0.00 C ATOM 645 C GLY A 47 0.735 -12.398 -7.471 1.00 0.00 C ATOM 646 O GLY A 47 -0.407 -12.830 -7.317 1.00 0.00 O ATOM 0 H GLY A 47 -0.476 -11.168 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.973 -10.308 -7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.147 -10.967 -6.740 1.00 0.00 H new ATOM 650 N GLU A 48 1.710 -13.110 -8.025 1.00 0.00 N ATOM 651 CA GLU A 48 1.488 -14.471 -8.498 1.00 0.00 C ATOM 652 C GLU A 48 1.759 -15.483 -7.388 1.00 0.00 C ATOM 653 O GLU A 48 2.907 -15.702 -6.998 1.00 0.00 O ATOM 654 CB GLU A 48 2.381 -14.769 -9.704 1.00 0.00 C ATOM 655 CG GLU A 48 2.062 -16.089 -10.387 1.00 0.00 C ATOM 656 CD GLU A 48 2.265 -17.282 -9.474 1.00 0.00 C ATOM 657 OE1 GLU A 48 3.281 -17.306 -8.748 1.00 0.00 O ATOM 658 OE2 GLU A 48 1.410 -18.192 -9.486 1.00 0.00 O ATOM 0 H GLU A 48 2.662 -12.767 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 48 0.444 -14.558 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.280 -13.961 -10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.422 -14.779 -9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.029 -16.074 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.693 -16.199 -11.269 1.00 0.00 H new ATOM 665 N LYS A 49 0.695 -16.097 -6.882 1.00 0.00 N ATOM 666 CA LYS A 49 0.817 -17.087 -5.818 1.00 0.00 C ATOM 667 C LYS A 49 -0.235 -18.181 -5.970 1.00 0.00 C ATOM 668 O LYS A 49 -1.080 -18.123 -6.863 1.00 0.00 O ATOM 669 CB LYS A 49 0.674 -16.415 -4.450 1.00 0.00 C ATOM 670 CG LYS A 49 1.911 -15.647 -4.018 1.00 0.00 C ATOM 671 CD LYS A 49 3.061 -16.584 -3.690 1.00 0.00 C ATOM 672 CE LYS A 49 4.244 -15.830 -3.102 1.00 0.00 C ATOM 673 NZ LYS A 49 5.105 -15.234 -4.162 1.00 0.00 N ATOM 0 H LYS A 49 -0.262 -15.927 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 49 1.804 -17.543 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.176 -15.733 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.449 -17.176 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.212 -14.964 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.676 -15.038 -3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.724 -17.342 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.374 -17.107 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.881 -15.041 -2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.839 -16.508 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.900 -14.729 -3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.473 -15.989 -4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.544 -14.568 -4.731 1.00 0.00 H new ATOM 687 N SER A 50 -0.176 -19.178 -5.093 1.00 0.00 N ATOM 688 CA SER A 50 -1.121 -20.287 -5.132 1.00 0.00 C ATOM 689 C SER A 50 -1.931 -20.357 -3.840 1.00 0.00 C ATOM 690 O SER A 50 -1.453 -19.970 -2.774 1.00 0.00 O ATOM 691 CB SER A 50 -0.382 -21.608 -5.356 1.00 0.00 C ATOM 692 OG SER A 50 0.667 -21.771 -4.417 1.00 0.00 O ATOM 0 H SER A 50 0.517 -19.240 -4.347 1.00 0.00 H new ATOM 0 HA SER A 50 -1.807 -20.118 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.082 -22.439 -5.272 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.024 -21.635 -6.367 1.00 0.00 H new ATOM 0 HG SER A 50 1.123 -22.623 -4.580 1.00 0.00 H new ATOM 698 N SER A 51 -3.160 -20.853 -3.945 1.00 0.00 N ATOM 699 CA SER A 51 -4.038 -20.970 -2.788 1.00 0.00 C ATOM 700 C SER A 51 -3.955 -19.722 -1.915 1.00 0.00 C ATOM 701 O SER A 51 -3.906 -19.810 -0.688 1.00 0.00 O ATOM 702 CB SER A 51 -3.671 -22.207 -1.965 1.00 0.00 C ATOM 703 OG SER A 51 -4.233 -23.379 -2.529 1.00 0.00 O ATOM 0 H SER A 51 -3.570 -21.180 -4.820 1.00 0.00 H new ATOM 0 HA SER A 51 -5.061 -21.073 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.587 -22.307 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.026 -22.086 -0.942 1.00 0.00 H new ATOM 0 HG SER A 51 -3.983 -24.156 -1.986 1.00 0.00 H new ATOM 709 N GLY A 52 -3.941 -18.558 -2.557 1.00 0.00 N ATOM 710 CA GLY A 52 -3.864 -17.307 -1.824 1.00 0.00 C ATOM 711 C GLY A 52 -2.938 -17.393 -0.627 1.00 0.00 C ATOM 712 O GLY A 52 -2.049 -18.242 -0.562 1.00 0.00 O ATOM 0 H GLY A 52 -3.982 -18.459 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.517 -16.519 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.862 -17.024 -1.488 1.00 0.00 H new ATOM 716 N PRO A 53 -3.142 -16.495 0.349 1.00 0.00 N ATOM 717 CA PRO A 53 -2.328 -16.452 1.567 1.00 0.00 C ATOM 718 C PRO A 53 -2.585 -17.647 2.479 1.00 0.00 C ATOM 719 O PRO A 53 -3.454 -17.601 3.349 1.00 0.00 O ATOM 720 CB PRO A 53 -2.776 -15.155 2.246 1.00 0.00 C ATOM 721 CG PRO A 53 -4.158 -14.922 1.745 1.00 0.00 C ATOM 722 CD PRO A 53 -4.183 -15.454 0.338 1.00 0.00 C ATOM 0 HA PRO A 53 -1.261 -16.488 1.346 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.760 -15.251 3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.117 -14.326 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.891 -15.434 2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.407 -13.861 1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.159 -15.865 0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.963 -14.674 -0.391 1.00 0.00 H new ATOM 730 N SER A 54 -1.822 -18.716 2.274 1.00 0.00 N ATOM 731 CA SER A 54 -1.969 -19.925 3.075 1.00 0.00 C ATOM 732 C SER A 54 -0.785 -20.097 4.021 1.00 0.00 C ATOM 733 O SER A 54 -0.960 -20.308 5.221 1.00 0.00 O ATOM 734 CB SER A 54 -2.095 -21.151 2.169 1.00 0.00 C ATOM 735 OG SER A 54 -0.952 -21.295 1.345 1.00 0.00 O ATOM 0 H SER A 54 -1.096 -18.769 1.560 1.00 0.00 H new ATOM 0 HA SER A 54 -2.877 -19.828 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.223 -22.046 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.986 -21.058 1.548 1.00 0.00 H new ATOM 0 HG SER A 54 -1.056 -22.087 0.777 1.00 0.00 H new ATOM 741 N SER A 55 0.422 -20.006 3.472 1.00 0.00 N ATOM 742 CA SER A 55 1.637 -20.156 4.264 1.00 0.00 C ATOM 743 C SER A 55 2.322 -18.808 4.466 1.00 0.00 C ATOM 744 O SER A 55 2.548 -18.377 5.596 1.00 0.00 O ATOM 745 CB SER A 55 2.597 -21.133 3.584 1.00 0.00 C ATOM 746 OG SER A 55 3.637 -21.523 4.466 1.00 0.00 O ATOM 0 H SER A 55 0.585 -19.829 2.481 1.00 0.00 H new ATOM 0 HA SER A 55 1.359 -20.553 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.049 -22.014 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.024 -20.669 2.695 1.00 0.00 H new ATOM 0 HG SER A 55 4.236 -22.149 4.008 1.00 0.00 H new ATOM 752 N GLY A 56 2.651 -18.146 3.361 1.00 0.00 N ATOM 753 CA GLY A 56 3.308 -16.854 3.437 1.00 0.00 C ATOM 754 C GLY A 56 2.422 -15.724 2.953 1.00 0.00 C ATOM 755 O GLY A 56 2.608 -15.208 1.852 1.00 0.00 O ATOM 0 H GLY A 56 2.474 -18.481 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.606 -16.662 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.220 -16.878 2.840 1.00 0.00 H new TER 759 GLY A 56