USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 376 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+ 140:sc= 0.0233 (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 USER MOD Single : A 8 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.35) USER MOD Single : A 10 GLN : amide:sc=-0.00656 X(o=-0.0066,f=-0.12) USER MOD Single : A 12 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.3!) USER MOD Single : A 15 GLN : amide:sc= -0.649 K(o=-0.65,f=-1.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -126:sc= -0.187 (180deg=-2.48!) USER MOD Single : A 23 ASN :FLIP amide:sc=-0.00883 F(o=-1.4,f=-0.0088) USER MOD Single : A 27 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.5) USER MOD Single : A 29 GLN : amide:sc= -0.0741 K(o=-0.074,f=-1.2!) USER MOD Single : A 34 THR OG1 : rot 163:sc= -0.0344 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.196 K(o=-0.2,f=-2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.218 10.069 8.068 1.00 0.00 N ATOM 2 CA GLY A 1 13.846 10.151 6.760 1.00 0.00 C ATOM 3 C GLY A 1 15.274 10.690 6.871 1.00 0.00 C ATOM 4 O GLY A 1 15.544 11.581 7.675 1.00 0.00 O ATOM 0 H1 GLY A 1 12.225 10.370 7.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.258 9.088 8.411 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.721 10.690 8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.861 9.164 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.258 10.799 6.110 1.00 0.00 H new ATOM 8 N SER A 2 16.150 10.126 6.053 1.00 0.00 N ATOM 9 CA SER A 2 17.543 10.539 6.048 1.00 0.00 C ATOM 10 C SER A 2 17.974 10.913 4.629 1.00 0.00 C ATOM 11 O SER A 2 18.337 10.044 3.837 1.00 0.00 O ATOM 12 CB SER A 2 18.446 9.435 6.604 1.00 0.00 C ATOM 13 OG SER A 2 19.820 9.669 6.307 1.00 0.00 O ATOM 0 H SER A 2 15.922 9.386 5.389 1.00 0.00 H new ATOM 0 HA SER A 2 17.643 11.413 6.692 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.315 9.369 7.684 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.143 8.475 6.187 1.00 0.00 H new ATOM 0 HG SER A 2 20.363 8.944 6.680 1.00 0.00 H new ATOM 19 N SER A 3 17.919 12.207 4.349 1.00 0.00 N ATOM 20 CA SER A 3 18.299 12.706 3.039 1.00 0.00 C ATOM 21 C SER A 3 17.451 12.035 1.957 1.00 0.00 C ATOM 22 O SER A 3 17.766 10.934 1.509 1.00 0.00 O ATOM 23 CB SER A 3 19.786 12.470 2.770 1.00 0.00 C ATOM 24 OG SER A 3 20.604 13.463 3.382 1.00 0.00 O ATOM 0 H SER A 3 17.617 12.925 5.008 1.00 0.00 H new ATOM 0 HA SER A 3 18.120 13.781 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.070 11.486 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.964 12.467 1.695 1.00 0.00 H new ATOM 0 HG SER A 3 21.546 13.276 3.188 1.00 0.00 H new ATOM 30 N GLY A 4 16.390 12.728 1.568 1.00 0.00 N ATOM 31 CA GLY A 4 15.493 12.213 0.547 1.00 0.00 C ATOM 32 C GLY A 4 14.086 12.789 0.712 1.00 0.00 C ATOM 33 O GLY A 4 13.626 13.003 1.832 1.00 0.00 O ATOM 0 H GLY A 4 16.132 13.641 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.879 12.464 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.454 11.125 0.607 1.00 0.00 H new ATOM 37 N SER A 5 13.441 13.024 -0.421 1.00 0.00 N ATOM 38 CA SER A 5 12.095 13.572 -0.417 1.00 0.00 C ATOM 39 C SER A 5 11.216 12.791 0.562 1.00 0.00 C ATOM 40 O SER A 5 11.567 11.685 0.971 1.00 0.00 O ATOM 41 CB SER A 5 11.484 13.543 -1.819 1.00 0.00 C ATOM 42 OG SER A 5 10.920 12.272 -2.129 1.00 0.00 O ATOM 0 H SER A 5 13.826 12.845 -1.349 1.00 0.00 H new ATOM 0 HA SER A 5 12.150 14.612 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.713 14.310 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.251 13.788 -2.554 1.00 0.00 H new ATOM 0 HG SER A 5 10.539 12.295 -3.032 1.00 0.00 H new ATOM 48 N SER A 6 10.090 13.397 0.909 1.00 0.00 N ATOM 49 CA SER A 6 9.158 12.772 1.832 1.00 0.00 C ATOM 50 C SER A 6 7.882 12.365 1.092 1.00 0.00 C ATOM 51 O SER A 6 6.998 13.191 0.871 1.00 0.00 O ATOM 52 CB SER A 6 8.821 13.709 2.994 1.00 0.00 C ATOM 53 OG SER A 6 8.333 12.999 4.128 1.00 0.00 O ATOM 0 H SER A 6 9.802 14.314 0.568 1.00 0.00 H new ATOM 0 HA SER A 6 9.632 11.881 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.711 14.273 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.073 14.433 2.671 1.00 0.00 H new ATOM 0 HG SER A 6 8.131 13.632 4.848 1.00 0.00 H new ATOM 59 N GLY A 7 7.827 11.092 0.729 1.00 0.00 N ATOM 60 CA GLY A 7 6.674 10.566 0.018 1.00 0.00 C ATOM 61 C GLY A 7 5.459 10.466 0.943 1.00 0.00 C ATOM 62 O GLY A 7 5.586 10.600 2.158 1.00 0.00 O ATOM 0 H GLY A 7 8.562 10.409 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.439 11.211 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.910 9.582 -0.387 1.00 0.00 H new ATOM 66 N HIS A 8 4.307 10.231 0.330 1.00 0.00 N ATOM 67 CA HIS A 8 3.070 10.112 1.083 1.00 0.00 C ATOM 68 C HIS A 8 3.016 8.745 1.768 1.00 0.00 C ATOM 69 O HIS A 8 3.242 8.640 2.972 1.00 0.00 O ATOM 70 CB HIS A 8 1.860 10.373 0.184 1.00 0.00 C ATOM 71 CG HIS A 8 1.033 11.566 0.599 1.00 0.00 C ATOM 72 ND1 HIS A 8 1.595 12.749 1.047 1.00 0.00 N ATOM 73 CD2 HIS A 8 -0.319 11.747 0.629 1.00 0.00 C ATOM 74 CE1 HIS A 8 0.616 13.596 1.331 1.00 0.00 C ATOM 75 NE2 HIS A 8 -0.569 12.972 1.072 1.00 0.00 N ATOM 0 H HIS A 8 4.205 10.120 -0.679 1.00 0.00 H new ATOM 0 HA HIS A 8 3.040 10.872 1.864 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.206 10.522 -0.839 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.225 9.487 0.180 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.060 11.016 0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.735 14.603 1.702 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.495 13.380 1.198 1.00 0.00 H new ATOM 83 N PHE A 9 2.715 7.730 0.970 1.00 0.00 N ATOM 84 CA PHE A 9 2.628 6.374 1.484 1.00 0.00 C ATOM 85 C PHE A 9 3.832 5.541 1.040 1.00 0.00 C ATOM 86 O PHE A 9 3.680 4.564 0.309 1.00 0.00 O ATOM 87 CB PHE A 9 1.354 5.757 0.904 1.00 0.00 C ATOM 88 CG PHE A 9 0.081 6.545 1.219 1.00 0.00 C ATOM 89 CD1 PHE A 9 -0.345 6.663 2.505 1.00 0.00 C ATOM 90 CD2 PHE A 9 -0.624 7.127 0.213 1.00 0.00 C ATOM 91 CE1 PHE A 9 -1.526 7.395 2.798 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.806 7.859 0.505 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.232 7.977 1.791 1.00 0.00 C ATOM 0 H PHE A 9 2.528 7.820 -0.029 1.00 0.00 H new ATOM 0 HA PHE A 9 2.613 6.389 2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.461 5.677 -0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.246 4.743 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.215 6.200 3.304 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.286 7.033 -0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.864 7.490 3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.366 8.322 -0.294 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.131 8.533 2.013 1.00 0.00 H new ATOM 103 N GLN A 10 5.002 5.959 1.501 1.00 0.00 N ATOM 104 CA GLN A 10 6.232 5.264 1.161 1.00 0.00 C ATOM 105 C GLN A 10 6.416 4.040 2.061 1.00 0.00 C ATOM 106 O GLN A 10 6.227 2.907 1.621 1.00 0.00 O ATOM 107 CB GLN A 10 7.437 6.201 1.257 1.00 0.00 C ATOM 108 CG GLN A 10 8.718 5.420 1.555 1.00 0.00 C ATOM 109 CD GLN A 10 9.932 6.090 0.909 1.00 0.00 C ATOM 110 OE1 GLN A 10 9.987 6.310 -0.290 1.00 0.00 O ATOM 111 NE2 GLN A 10 10.899 6.402 1.768 1.00 0.00 N ATOM 0 H GLN A 10 5.124 6.770 2.107 1.00 0.00 H new ATOM 0 HA GLN A 10 6.160 4.924 0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.551 6.749 0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.266 6.939 2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.865 5.354 2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.621 4.400 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.788 6.190 2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.751 6.853 1.435 1.00 0.00 H new ATOM 120 N VAL A 11 6.784 4.310 3.305 1.00 0.00 N ATOM 121 CA VAL A 11 6.997 3.245 4.270 1.00 0.00 C ATOM 122 C VAL A 11 5.897 2.193 4.113 1.00 0.00 C ATOM 123 O VAL A 11 6.185 1.011 3.935 1.00 0.00 O ATOM 124 CB VAL A 11 7.070 3.827 5.683 1.00 0.00 C ATOM 125 CG1 VAL A 11 7.268 2.722 6.722 1.00 0.00 C ATOM 126 CG2 VAL A 11 8.174 4.881 5.786 1.00 0.00 C ATOM 0 H VAL A 11 6.940 5.251 3.667 1.00 0.00 H new ATOM 0 HA VAL A 11 7.950 2.749 4.087 1.00 0.00 H new ATOM 0 HB VAL A 11 6.119 4.317 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.317 3.163 7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.432 2.024 6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.197 2.190 6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.204 5.278 6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.135 4.426 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.971 5.691 5.085 1.00 0.00 H new ATOM 136 N GLN A 12 4.659 2.662 4.185 1.00 0.00 N ATOM 137 CA GLN A 12 3.515 1.776 4.052 1.00 0.00 C ATOM 138 C GLN A 12 3.631 0.947 2.772 1.00 0.00 C ATOM 139 O GLN A 12 3.345 -0.250 2.775 1.00 0.00 O ATOM 140 CB GLN A 12 2.205 2.566 4.077 1.00 0.00 C ATOM 141 CG GLN A 12 1.962 3.182 5.457 1.00 0.00 C ATOM 142 CD GLN A 12 1.886 4.708 5.370 1.00 0.00 C ATOM 143 OE1 GLN A 12 2.404 5.330 4.458 1.00 0.00 O ATOM 144 NE2 GLN A 12 1.213 5.273 6.368 1.00 0.00 N ATOM 0 H GLN A 12 4.424 3.643 4.334 1.00 0.00 H new ATOM 0 HA GLN A 12 3.507 1.095 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.237 3.353 3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.375 1.909 3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.034 2.791 5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.765 2.892 6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.804 4.693 7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.106 6.287 6.401 1.00 0.00 H new ATOM 153 N LEU A 13 4.051 1.615 1.708 1.00 0.00 N ATOM 154 CA LEU A 13 4.208 0.955 0.423 1.00 0.00 C ATOM 155 C LEU A 13 5.352 -0.057 0.511 1.00 0.00 C ATOM 156 O LEU A 13 5.224 -1.187 0.043 1.00 0.00 O ATOM 157 CB LEU A 13 4.384 1.987 -0.692 1.00 0.00 C ATOM 158 CG LEU A 13 3.098 2.488 -1.352 1.00 0.00 C ATOM 159 CD1 LEU A 13 3.401 3.564 -2.397 1.00 0.00 C ATOM 160 CD2 LEU A 13 2.295 1.326 -1.941 1.00 0.00 C ATOM 0 H LEU A 13 4.288 2.607 1.709 1.00 0.00 H new ATOM 0 HA LEU A 13 3.307 0.397 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.918 2.845 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.020 1.554 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 13 2.478 2.951 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.470 3.903 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.899 4.407 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.051 3.150 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.386 1.710 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.896 0.812 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.031 0.627 -1.147 1.00 0.00 H new ATOM 172 N GLU A 14 6.445 0.385 1.116 1.00 0.00 N ATOM 173 CA GLU A 14 7.611 -0.468 1.271 1.00 0.00 C ATOM 174 C GLU A 14 7.183 -1.892 1.630 1.00 0.00 C ATOM 175 O GLU A 14 7.395 -2.822 0.854 1.00 0.00 O ATOM 176 CB GLU A 14 8.568 0.099 2.322 1.00 0.00 C ATOM 177 CG GLU A 14 10.025 -0.177 1.943 1.00 0.00 C ATOM 178 CD GLU A 14 10.960 0.096 3.123 1.00 0.00 C ATOM 179 OE1 GLU A 14 10.745 1.132 3.788 1.00 0.00 O ATOM 180 OE2 GLU A 14 11.868 -0.737 3.332 1.00 0.00 O ATOM 0 H GLU A 14 6.548 1.323 1.505 1.00 0.00 H new ATOM 0 HA GLU A 14 8.144 -0.499 0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.411 1.173 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.351 -0.345 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.131 -1.213 1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.309 0.449 1.097 1.00 0.00 H new ATOM 187 N GLN A 15 6.589 -2.018 2.808 1.00 0.00 N ATOM 188 CA GLN A 15 6.129 -3.313 3.279 1.00 0.00 C ATOM 189 C GLN A 15 5.330 -4.023 2.185 1.00 0.00 C ATOM 190 O GLN A 15 5.687 -5.122 1.765 1.00 0.00 O ATOM 191 CB GLN A 15 5.301 -3.169 4.558 1.00 0.00 C ATOM 192 CG GLN A 15 6.120 -2.512 5.671 1.00 0.00 C ATOM 193 CD GLN A 15 5.271 -1.514 6.461 1.00 0.00 C ATOM 194 OE1 GLN A 15 4.760 -0.540 5.933 1.00 0.00 O ATOM 195 NE2 GLN A 15 5.149 -1.810 7.752 1.00 0.00 N ATOM 0 H GLN A 15 6.416 -1.244 3.450 1.00 0.00 H new ATOM 0 HA GLN A 15 7.001 -3.922 3.517 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.412 -2.572 4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.957 -4.150 4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.507 -3.278 6.343 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.981 -2.001 5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.603 -2.642 8.130 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.601 -1.205 8.364 1.00 0.00 H new ATOM 204 N LEU A 16 4.263 -3.366 1.755 1.00 0.00 N ATOM 205 CA LEU A 16 3.409 -3.920 0.718 1.00 0.00 C ATOM 206 C LEU A 16 4.281 -4.480 -0.408 1.00 0.00 C ATOM 207 O LEU A 16 4.127 -5.636 -0.801 1.00 0.00 O ATOM 208 CB LEU A 16 2.392 -2.879 0.248 1.00 0.00 C ATOM 209 CG LEU A 16 1.423 -2.359 1.312 1.00 0.00 C ATOM 210 CD1 LEU A 16 0.746 -1.067 0.853 1.00 0.00 C ATOM 211 CD2 LEU A 16 0.405 -3.434 1.698 1.00 0.00 C ATOM 0 H LEU A 16 3.970 -2.454 2.106 1.00 0.00 H new ATOM 0 HA LEU A 16 2.822 -4.750 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.936 -2.030 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.809 -3.311 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 16 1.996 -2.121 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.063 -0.719 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.503 -0.305 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.189 -1.254 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.272 -3.039 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.167 -3.726 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.928 -4.304 2.096 1.00 0.00 H new ATOM 223 N ARG A 17 5.178 -3.635 -0.895 1.00 0.00 N ATOM 224 CA ARG A 17 6.074 -4.031 -1.968 1.00 0.00 C ATOM 225 C ARG A 17 6.682 -5.404 -1.672 1.00 0.00 C ATOM 226 O ARG A 17 6.725 -6.269 -2.545 1.00 0.00 O ATOM 227 CB ARG A 17 7.200 -3.011 -2.150 1.00 0.00 C ATOM 228 CG ARG A 17 7.823 -3.125 -3.543 1.00 0.00 C ATOM 229 CD ARG A 17 7.806 -1.776 -4.263 1.00 0.00 C ATOM 230 NE ARG A 17 7.714 -1.984 -5.726 1.00 0.00 N ATOM 231 CZ ARG A 17 8.766 -2.242 -6.515 1.00 0.00 C ATOM 232 NH1 ARG A 17 9.995 -2.325 -5.988 1.00 0.00 N ATOM 233 NH2 ARG A 17 8.589 -2.417 -7.832 1.00 0.00 N ATOM 0 H ARG A 17 5.303 -2.678 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 17 5.490 -4.079 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.810 -2.004 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.966 -3.170 -1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.849 -3.483 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.276 -3.862 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.960 -1.181 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.709 -1.215 -4.023 1.00 0.00 H new ATOM 0 HE ARG A 17 6.793 -1.927 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.130 -2.192 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.795 -2.521 -6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.654 -2.354 -8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.390 -2.613 -8.433 1.00 0.00 H new ATOM 247 N SER A 18 7.137 -5.560 -0.437 1.00 0.00 N ATOM 248 CA SER A 18 7.741 -6.813 -0.016 1.00 0.00 C ATOM 249 C SER A 18 6.710 -7.941 -0.087 1.00 0.00 C ATOM 250 O SER A 18 7.000 -9.021 -0.600 1.00 0.00 O ATOM 251 CB SER A 18 8.308 -6.702 1.401 1.00 0.00 C ATOM 252 OG SER A 18 9.647 -7.182 1.479 1.00 0.00 O ATOM 0 H SER A 18 7.100 -4.840 0.285 1.00 0.00 H new ATOM 0 HA SER A 18 8.565 -7.039 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.277 -5.661 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.679 -7.268 2.088 1.00 0.00 H new ATOM 0 HG SER A 18 9.973 -7.093 2.399 1.00 0.00 H new ATOM 258 N MET A 19 5.527 -7.652 0.435 1.00 0.00 N ATOM 259 CA MET A 19 4.451 -8.629 0.437 1.00 0.00 C ATOM 260 C MET A 19 4.162 -9.129 -0.979 1.00 0.00 C ATOM 261 O MET A 19 3.573 -10.194 -1.158 1.00 0.00 O ATOM 262 CB MET A 19 3.187 -7.996 1.024 1.00 0.00 C ATOM 263 CG MET A 19 3.325 -7.796 2.534 1.00 0.00 C ATOM 264 SD MET A 19 2.191 -8.871 3.398 1.00 0.00 S ATOM 265 CE MET A 19 0.718 -7.864 3.360 1.00 0.00 C ATOM 0 H MET A 19 5.290 -6.755 0.859 1.00 0.00 H new ATOM 0 HA MET A 19 4.758 -9.479 1.046 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.999 -7.037 0.542 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.327 -8.632 0.815 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.348 -8.007 2.845 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.122 -6.757 2.792 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.336 -7.740 4.373 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.956 -6.887 2.939 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.039 -8.350 2.744 1.00 0.00 H new ATOM 275 N GLY A 20 4.589 -8.336 -1.951 1.00 0.00 N ATOM 276 CA GLY A 20 4.383 -8.684 -3.347 1.00 0.00 C ATOM 277 C GLY A 20 3.315 -7.791 -3.983 1.00 0.00 C ATOM 278 O GLY A 20 2.762 -8.128 -5.028 1.00 0.00 O ATOM 0 H GLY A 20 5.077 -7.453 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.321 -8.581 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.082 -9.729 -3.424 1.00 0.00 H new ATOM 282 N PHE A 21 3.059 -6.670 -3.326 1.00 0.00 N ATOM 283 CA PHE A 21 2.068 -5.726 -3.814 1.00 0.00 C ATOM 284 C PHE A 21 2.692 -4.736 -4.799 1.00 0.00 C ATOM 285 O PHE A 21 2.868 -3.562 -4.477 1.00 0.00 O ATOM 286 CB PHE A 21 1.545 -4.958 -2.599 1.00 0.00 C ATOM 287 CG PHE A 21 0.423 -5.675 -1.845 1.00 0.00 C ATOM 288 CD1 PHE A 21 -0.719 -6.024 -2.495 1.00 0.00 C ATOM 289 CD2 PHE A 21 0.568 -5.963 -0.524 1.00 0.00 C ATOM 290 CE1 PHE A 21 -1.760 -6.689 -1.795 1.00 0.00 C ATOM 291 CE2 PHE A 21 -0.473 -6.629 0.176 1.00 0.00 C ATOM 292 CZ PHE A 21 -1.615 -6.978 -0.474 1.00 0.00 C ATOM 0 H PHE A 21 3.521 -6.394 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 21 1.271 -6.259 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.372 -4.777 -1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.184 -3.983 -2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.834 -5.795 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.475 -5.685 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.667 -6.965 -2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.357 -6.858 1.225 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.407 -7.484 0.058 1.00 0.00 H new ATOM 302 N LEU A 22 3.011 -5.246 -5.980 1.00 0.00 N ATOM 303 CA LEU A 22 3.613 -4.421 -7.013 1.00 0.00 C ATOM 304 C LEU A 22 2.512 -3.668 -7.763 1.00 0.00 C ATOM 305 O LEU A 22 2.448 -3.715 -8.991 1.00 0.00 O ATOM 306 CB LEU A 22 4.507 -5.267 -7.921 1.00 0.00 C ATOM 307 CG LEU A 22 5.441 -6.251 -7.214 1.00 0.00 C ATOM 308 CD1 LEU A 22 5.953 -5.669 -5.895 1.00 0.00 C ATOM 309 CD2 LEU A 22 4.761 -7.607 -7.017 1.00 0.00 C ATOM 0 H LEU A 22 2.864 -6.220 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 22 4.268 -3.671 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.870 -5.829 -8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.112 -4.595 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 22 6.310 -6.416 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.615 -6.388 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.501 -4.747 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.109 -5.456 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.446 -8.288 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.864 -7.480 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.487 -8.021 -7.987 1.00 0.00 H new ATOM 321 N ASN A 23 1.673 -2.990 -6.994 1.00 0.00 N ATOM 322 CA ASN A 23 0.578 -2.228 -7.570 1.00 0.00 C ATOM 323 C ASN A 23 0.408 -0.921 -6.794 1.00 0.00 C ATOM 324 O ASN A 23 -0.695 -0.591 -6.360 1.00 0.00 O ATOM 325 CB ASN A 23 -0.738 -3.004 -7.484 1.00 0.00 C ATOM 326 CG ASN A 23 -1.597 -2.767 -8.729 1.00 0.00 C ATOM 327 OD1 ASN A 23 -1.578 -1.511 -9.167 1.00 0.00 O flip ATOM 328 ND2 ASN A 23 -2.233 -3.664 -9.256 1.00 0.00 N flip ATOM 0 H ASN A 23 1.729 -2.952 -5.976 1.00 0.00 H new ATOM 0 HA ASN A 23 0.815 -2.035 -8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.530 -4.069 -7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.288 -2.697 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.203 -4.607 -8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.795 -3.472 -10.085 1.00 0.00 H new ATOM 335 N ARG A 24 1.517 -0.212 -6.641 1.00 0.00 N ATOM 336 CA ARG A 24 1.504 1.052 -5.924 1.00 0.00 C ATOM 337 C ARG A 24 0.231 1.835 -6.252 1.00 0.00 C ATOM 338 O ARG A 24 -0.434 2.350 -5.354 1.00 0.00 O ATOM 339 CB ARG A 24 2.725 1.901 -6.284 1.00 0.00 C ATOM 340 CG ARG A 24 4.023 1.168 -5.944 1.00 0.00 C ATOM 341 CD ARG A 24 5.070 2.135 -5.387 1.00 0.00 C ATOM 342 NE ARG A 24 6.325 2.023 -6.163 1.00 0.00 N ATOM 343 CZ ARG A 24 6.478 2.475 -7.415 1.00 0.00 C ATOM 344 NH1 ARG A 24 5.454 3.071 -8.041 1.00 0.00 N ATOM 345 NH2 ARG A 24 7.654 2.330 -8.041 1.00 0.00 N ATOM 0 H ARG A 24 2.430 -0.489 -7.001 1.00 0.00 H new ATOM 0 HA ARG A 24 1.532 0.829 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.706 2.139 -7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.686 2.847 -5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.822 0.384 -5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.413 0.679 -6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.694 3.157 -5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.261 1.912 -4.337 1.00 0.00 H new ATOM 0 HE ARG A 24 7.124 1.573 -5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.559 3.180 -7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.570 3.415 -8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.433 1.875 -7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.770 2.674 -8.994 1.00 0.00 H new ATOM 359 N GLU A 25 -0.070 1.901 -7.541 1.00 0.00 N ATOM 360 CA GLU A 25 -1.251 2.613 -7.998 1.00 0.00 C ATOM 361 C GLU A 25 -2.469 2.212 -7.163 1.00 0.00 C ATOM 362 O GLU A 25 -3.179 3.070 -6.642 1.00 0.00 O ATOM 363 CB GLU A 25 -1.500 2.363 -9.486 1.00 0.00 C ATOM 364 CG GLU A 25 -1.874 3.661 -10.205 1.00 0.00 C ATOM 365 CD GLU A 25 -2.003 3.435 -11.713 1.00 0.00 C ATOM 366 OE1 GLU A 25 -2.781 2.530 -12.087 1.00 0.00 O ATOM 367 OE2 GLU A 25 -1.321 4.171 -12.458 1.00 0.00 O ATOM 0 H GLU A 25 0.484 1.473 -8.283 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.081 3.682 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.607 1.935 -9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.300 1.633 -9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.815 4.042 -9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.116 4.420 -10.011 1.00 0.00 H new ATOM 374 N ALA A 26 -2.673 0.906 -7.062 1.00 0.00 N ATOM 375 CA ALA A 26 -3.792 0.381 -6.299 1.00 0.00 C ATOM 376 C ALA A 26 -3.535 0.600 -4.807 1.00 0.00 C ATOM 377 O ALA A 26 -4.385 1.141 -4.100 1.00 0.00 O ATOM 378 CB ALA A 26 -3.997 -1.096 -6.645 1.00 0.00 C ATOM 0 H ALA A 26 -2.082 0.197 -7.496 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.712 0.907 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.837 -1.491 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.206 -1.195 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.095 -1.656 -6.399 1.00 0.00 H new ATOM 384 N ASN A 27 -2.360 0.170 -4.372 1.00 0.00 N ATOM 385 CA ASN A 27 -1.981 0.313 -2.977 1.00 0.00 C ATOM 386 C ASN A 27 -2.285 1.739 -2.513 1.00 0.00 C ATOM 387 O ASN A 27 -2.903 1.937 -1.468 1.00 0.00 O ATOM 388 CB ASN A 27 -0.484 0.062 -2.784 1.00 0.00 C ATOM 389 CG ASN A 27 -0.089 -1.325 -3.296 1.00 0.00 C ATOM 390 OD1 ASN A 27 -0.909 -2.216 -3.446 1.00 0.00 O ATOM 391 ND2 ASN A 27 1.209 -1.457 -3.554 1.00 0.00 N ATOM 0 H ASN A 27 -1.658 -0.278 -4.961 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.547 -0.417 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.087 0.825 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.230 0.149 -1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.573 -2.345 -3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.841 -0.670 -3.406 1.00 0.00 H new ATOM 398 N LEU A 28 -1.837 2.695 -3.313 1.00 0.00 N ATOM 399 CA LEU A 28 -2.054 4.097 -2.998 1.00 0.00 C ATOM 400 C LEU A 28 -3.540 4.329 -2.721 1.00 0.00 C ATOM 401 O LEU A 28 -3.931 4.584 -1.584 1.00 0.00 O ATOM 402 CB LEU A 28 -1.487 4.989 -4.104 1.00 0.00 C ATOM 403 CG LEU A 28 -0.920 6.337 -3.655 1.00 0.00 C ATOM 404 CD1 LEU A 28 0.609 6.334 -3.709 1.00 0.00 C ATOM 405 CD2 LEU A 28 -1.521 7.483 -4.471 1.00 0.00 C ATOM 0 H LEU A 28 -1.325 2.527 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.514 4.372 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.699 4.439 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.275 5.174 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.204 6.499 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.986 7.304 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.995 5.556 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.937 6.140 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.101 8.430 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.288 7.340 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.603 7.497 -4.337 1.00 0.00 H new ATOM 417 N GLN A 29 -4.329 4.232 -3.782 1.00 0.00 N ATOM 418 CA GLN A 29 -5.764 4.428 -3.668 1.00 0.00 C ATOM 419 C GLN A 29 -6.284 3.802 -2.372 1.00 0.00 C ATOM 420 O GLN A 29 -6.957 4.465 -1.585 1.00 0.00 O ATOM 421 CB GLN A 29 -6.494 3.856 -4.885 1.00 0.00 C ATOM 422 CG GLN A 29 -6.217 4.695 -6.134 1.00 0.00 C ATOM 423 CD GLN A 29 -7.181 5.880 -6.224 1.00 0.00 C ATOM 424 OE1 GLN A 29 -8.334 5.807 -5.829 1.00 0.00 O ATOM 425 NE2 GLN A 29 -6.647 6.972 -6.763 1.00 0.00 N ATOM 0 H GLN A 29 -4.001 4.020 -4.724 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.963 5.499 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.175 2.828 -5.055 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.566 3.829 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.190 5.058 -6.112 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.316 4.073 -7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.675 6.965 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.209 7.817 -6.867 1.00 0.00 H new ATOM 434 N ALA A 30 -5.952 2.533 -2.191 1.00 0.00 N ATOM 435 CA ALA A 30 -6.377 1.810 -1.005 1.00 0.00 C ATOM 436 C ALA A 30 -5.882 2.547 0.241 1.00 0.00 C ATOM 437 O ALA A 30 -6.662 2.831 1.150 1.00 0.00 O ATOM 438 CB ALA A 30 -5.864 0.370 -1.072 1.00 0.00 C ATOM 0 H ALA A 30 -5.393 1.986 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.465 1.766 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.183 -0.172 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.267 -0.119 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.775 0.374 -1.123 1.00 0.00 H new ATOM 444 N LEU A 31 -4.589 2.837 0.244 1.00 0.00 N ATOM 445 CA LEU A 31 -3.981 3.536 1.363 1.00 0.00 C ATOM 446 C LEU A 31 -4.740 4.840 1.618 1.00 0.00 C ATOM 447 O LEU A 31 -4.951 5.226 2.766 1.00 0.00 O ATOM 448 CB LEU A 31 -2.484 3.733 1.122 1.00 0.00 C ATOM 449 CG LEU A 31 -1.584 2.549 1.481 1.00 0.00 C ATOM 450 CD1 LEU A 31 -0.256 2.619 0.725 1.00 0.00 C ATOM 451 CD2 LEU A 31 -1.378 2.456 2.994 1.00 0.00 C ATOM 0 H LEU A 31 -3.946 2.600 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.058 2.939 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.334 3.971 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.155 4.600 1.695 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.084 1.633 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.364 1.766 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.447 2.599 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.262 3.542 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.735 1.606 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.910 3.372 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.342 2.323 3.485 1.00 0.00 H new ATOM 463 N ILE A 32 -5.130 5.483 0.527 1.00 0.00 N ATOM 464 CA ILE A 32 -5.861 6.735 0.617 1.00 0.00 C ATOM 465 C ILE A 32 -7.203 6.489 1.310 1.00 0.00 C ATOM 466 O ILE A 32 -7.577 7.221 2.225 1.00 0.00 O ATOM 467 CB ILE A 32 -5.992 7.380 -0.764 1.00 0.00 C ATOM 468 CG1 ILE A 32 -4.617 7.606 -1.396 1.00 0.00 C ATOM 469 CG2 ILE A 32 -6.808 8.673 -0.691 1.00 0.00 C ATOM 470 CD1 ILE A 32 -4.708 7.599 -2.924 1.00 0.00 C ATOM 0 H ILE A 32 -4.953 5.160 -0.424 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.313 7.452 1.228 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.536 6.692 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.209 8.558 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.929 6.828 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.886 9.111 -1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.806 8.452 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.314 9.378 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.717 7.762 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.094 6.637 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.378 8.394 -3.252 1.00 0.00 H new ATOM 482 N ALA A 33 -7.891 5.455 0.847 1.00 0.00 N ATOM 483 CA ALA A 33 -9.183 5.103 1.411 1.00 0.00 C ATOM 484 C ALA A 33 -9.045 4.937 2.925 1.00 0.00 C ATOM 485 O ALA A 33 -9.724 5.618 3.693 1.00 0.00 O ATOM 486 CB ALA A 33 -9.709 3.838 0.731 1.00 0.00 C ATOM 0 H ALA A 33 -7.578 4.850 0.088 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.909 5.896 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.678 3.574 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.817 4.018 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.007 3.020 0.892 1.00 0.00 H new ATOM 492 N THR A 34 -8.162 4.028 3.311 1.00 0.00 N ATOM 493 CA THR A 34 -7.927 3.763 4.720 1.00 0.00 C ATOM 494 C THR A 34 -7.392 5.016 5.416 1.00 0.00 C ATOM 495 O THR A 34 -7.860 5.380 6.494 1.00 0.00 O ATOM 496 CB THR A 34 -6.986 2.561 4.825 1.00 0.00 C ATOM 497 OG1 THR A 34 -5.786 3.004 4.197 1.00 0.00 O ATOM 498 CG2 THR A 34 -7.444 1.382 3.965 1.00 0.00 C ATOM 0 H THR A 34 -7.600 3.465 2.672 1.00 0.00 H new ATOM 0 HA THR A 34 -8.854 3.514 5.236 1.00 0.00 H new ATOM 0 HB THR A 34 -6.916 2.245 5.866 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.047 2.412 4.449 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.741 0.556 4.076 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.435 1.061 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.482 1.688 2.919 1.00 0.00 H new ATOM 506 N GLY A 35 -6.418 5.642 4.771 1.00 0.00 N ATOM 507 CA GLY A 35 -5.814 6.847 5.314 1.00 0.00 C ATOM 508 C GLY A 35 -4.347 6.609 5.676 1.00 0.00 C ATOM 509 O GLY A 35 -3.805 7.276 6.556 1.00 0.00 O ATOM 0 H GLY A 35 -6.032 5.337 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.886 7.654 4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.364 7.167 6.199 1.00 0.00 H new ATOM 513 N GLY A 36 -3.745 5.658 4.978 1.00 0.00 N ATOM 514 CA GLY A 36 -2.351 5.324 5.214 1.00 0.00 C ATOM 515 C GLY A 36 -2.216 3.923 5.814 1.00 0.00 C ATOM 516 O GLY A 36 -1.212 3.246 5.601 1.00 0.00 O ATOM 0 H GLY A 36 -4.197 5.108 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.797 5.377 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.907 6.056 5.888 1.00 0.00 H new ATOM 520 N ASP A 37 -3.243 3.530 6.553 1.00 0.00 N ATOM 521 CA ASP A 37 -3.253 2.222 7.186 1.00 0.00 C ATOM 522 C ASP A 37 -2.873 1.158 6.153 1.00 0.00 C ATOM 523 O ASP A 37 -3.444 1.112 5.065 1.00 0.00 O ATOM 524 CB ASP A 37 -4.643 1.881 7.726 1.00 0.00 C ATOM 525 CG ASP A 37 -4.664 0.838 8.845 1.00 0.00 C ATOM 526 OD1 ASP A 37 -4.385 -0.339 8.530 1.00 0.00 O ATOM 527 OD2 ASP A 37 -4.958 1.242 9.991 1.00 0.00 O ATOM 0 H ASP A 37 -4.074 4.095 6.728 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.541 2.241 8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.108 2.796 8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.258 1.520 6.902 1.00 0.00 H new ATOM 532 N VAL A 38 -1.911 0.329 6.531 1.00 0.00 N ATOM 533 CA VAL A 38 -1.448 -0.731 5.652 1.00 0.00 C ATOM 534 C VAL A 38 -2.270 -1.996 5.909 1.00 0.00 C ATOM 535 O VAL A 38 -2.905 -2.523 4.997 1.00 0.00 O ATOM 536 CB VAL A 38 0.055 -0.947 5.839 1.00 0.00 C ATOM 537 CG1 VAL A 38 0.558 -2.094 4.960 1.00 0.00 C ATOM 538 CG2 VAL A 38 0.833 0.340 5.558 1.00 0.00 C ATOM 0 H VAL A 38 -1.439 0.370 7.435 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.596 -0.453 4.608 1.00 0.00 H new ATOM 0 HB VAL A 38 0.227 -1.222 6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.629 -2.226 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.037 -3.013 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.366 -1.861 3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.899 0.159 5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.651 0.658 4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.504 1.121 6.244 1.00 0.00 H new ATOM 548 N ASP A 39 -2.231 -2.446 7.154 1.00 0.00 N ATOM 549 CA ASP A 39 -2.964 -3.639 7.542 1.00 0.00 C ATOM 550 C ASP A 39 -4.349 -3.615 6.892 1.00 0.00 C ATOM 551 O ASP A 39 -4.742 -4.571 6.225 1.00 0.00 O ATOM 552 CB ASP A 39 -3.156 -3.699 9.059 1.00 0.00 C ATOM 553 CG ASP A 39 -3.346 -5.105 9.631 1.00 0.00 C ATOM 554 OD1 ASP A 39 -3.468 -6.040 8.811 1.00 0.00 O ATOM 555 OD2 ASP A 39 -3.365 -5.213 10.876 1.00 0.00 O ATOM 0 H ASP A 39 -1.703 -2.006 7.908 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.391 -4.507 7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.290 -3.242 9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.023 -3.095 9.325 1.00 0.00 H new ATOM 560 N ALA A 40 -5.050 -2.512 7.108 1.00 0.00 N ATOM 561 CA ALA A 40 -6.383 -2.351 6.551 1.00 0.00 C ATOM 562 C ALA A 40 -6.318 -2.511 5.031 1.00 0.00 C ATOM 563 O ALA A 40 -7.011 -3.354 4.462 1.00 0.00 O ATOM 564 CB ALA A 40 -6.951 -0.994 6.970 1.00 0.00 C ATOM 0 H ALA A 40 -4.720 -1.721 7.661 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.055 -3.118 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.951 -0.873 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.003 -0.942 8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.304 -0.199 6.599 1.00 0.00 H new ATOM 570 N ALA A 41 -5.480 -1.689 4.416 1.00 0.00 N ATOM 571 CA ALA A 41 -5.316 -1.729 2.973 1.00 0.00 C ATOM 572 C ALA A 41 -5.211 -3.186 2.516 1.00 0.00 C ATOM 573 O ALA A 41 -5.968 -3.625 1.651 1.00 0.00 O ATOM 574 CB ALA A 41 -4.091 -0.904 2.575 1.00 0.00 C ATOM 0 H ALA A 41 -4.907 -0.991 4.891 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.181 -1.289 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.968 -0.934 1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.228 0.129 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.203 -1.318 3.053 1.00 0.00 H new ATOM 580 N VAL A 42 -4.268 -3.895 3.117 1.00 0.00 N ATOM 581 CA VAL A 42 -4.054 -5.293 2.783 1.00 0.00 C ATOM 582 C VAL A 42 -5.405 -6.009 2.719 1.00 0.00 C ATOM 583 O VAL A 42 -5.728 -6.643 1.716 1.00 0.00 O ATOM 584 CB VAL A 42 -3.087 -5.928 3.784 1.00 0.00 C ATOM 585 CG1 VAL A 42 -3.012 -7.444 3.587 1.00 0.00 C ATOM 586 CG2 VAL A 42 -1.699 -5.293 3.684 1.00 0.00 C ATOM 0 H VAL A 42 -3.643 -3.528 3.834 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.590 -5.385 1.801 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.470 -5.739 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.318 -7.871 4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.001 -7.879 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.664 -7.663 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.031 -5.763 4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.305 -5.437 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.771 -4.226 3.896 1.00 0.00 H new ATOM 596 N GLU A 43 -6.157 -5.884 3.803 1.00 0.00 N ATOM 597 CA GLU A 43 -7.465 -6.511 3.882 1.00 0.00 C ATOM 598 C GLU A 43 -8.310 -6.134 2.664 1.00 0.00 C ATOM 599 O GLU A 43 -9.150 -6.916 2.220 1.00 0.00 O ATOM 600 CB GLU A 43 -8.177 -6.131 5.182 1.00 0.00 C ATOM 601 CG GLU A 43 -7.639 -6.945 6.360 1.00 0.00 C ATOM 602 CD GLU A 43 -8.657 -7.992 6.815 1.00 0.00 C ATOM 603 OE1 GLU A 43 -9.319 -8.565 5.923 1.00 0.00 O ATOM 604 OE2 GLU A 43 -8.752 -8.195 8.045 1.00 0.00 O ATOM 0 H GLU A 43 -5.885 -5.358 4.633 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.328 -7.592 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.041 -5.067 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.249 -6.301 5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.710 -7.437 6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.403 -6.278 7.189 1.00 0.00 H new ATOM 611 N LYS A 44 -8.058 -4.937 2.156 1.00 0.00 N ATOM 612 CA LYS A 44 -8.784 -4.447 0.998 1.00 0.00 C ATOM 613 C LYS A 44 -8.137 -4.997 -0.275 1.00 0.00 C ATOM 614 O LYS A 44 -8.796 -5.662 -1.073 1.00 0.00 O ATOM 615 CB LYS A 44 -8.877 -2.920 1.030 1.00 0.00 C ATOM 616 CG LYS A 44 -9.957 -2.456 2.009 1.00 0.00 C ATOM 617 CD LYS A 44 -9.370 -2.218 3.401 1.00 0.00 C ATOM 618 CE LYS A 44 -10.332 -1.408 4.271 1.00 0.00 C ATOM 619 NZ LYS A 44 -11.388 -2.282 4.829 1.00 0.00 N ATOM 0 H LYS A 44 -7.360 -4.292 2.526 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.813 -4.806 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.914 -2.500 1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.101 -2.545 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.415 -1.538 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.747 -3.205 2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.160 -3.175 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.421 -1.690 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.783 -0.929 5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.785 -0.613 3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.032 -1.716 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.923 -2.720 4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.952 -3.026 5.411 1.00 0.00 H new ATOM 633 N LEU A 45 -6.855 -4.699 -0.425 1.00 0.00 N ATOM 634 CA LEU A 45 -6.112 -5.155 -1.588 1.00 0.00 C ATOM 635 C LEU A 45 -6.453 -6.621 -1.862 1.00 0.00 C ATOM 636 O LEU A 45 -6.777 -6.986 -2.991 1.00 0.00 O ATOM 637 CB LEU A 45 -4.616 -4.896 -1.402 1.00 0.00 C ATOM 638 CG LEU A 45 -4.152 -3.455 -1.622 1.00 0.00 C ATOM 639 CD1 LEU A 45 -2.773 -3.222 -1.003 1.00 0.00 C ATOM 640 CD2 LEU A 45 -4.183 -3.089 -3.107 1.00 0.00 C ATOM 0 H LEU A 45 -6.312 -4.148 0.239 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.403 -4.589 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.339 -5.196 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.068 -5.542 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.850 -2.791 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.467 -2.190 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.818 -3.414 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.049 -3.896 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.849 -2.060 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.522 -3.757 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.200 -3.190 -3.485 1.00 0.00 H new ATOM 652 N ARG A 46 -6.369 -7.422 -0.810 1.00 0.00 N ATOM 653 CA ARG A 46 -6.664 -8.840 -0.923 1.00 0.00 C ATOM 654 C ARG A 46 -8.046 -9.046 -1.547 1.00 0.00 C ATOM 655 O ARG A 46 -8.180 -9.745 -2.550 1.00 0.00 O ATOM 656 CB ARG A 46 -6.623 -9.523 0.445 1.00 0.00 C ATOM 657 CG ARG A 46 -5.189 -9.612 0.971 1.00 0.00 C ATOM 658 CD ARG A 46 -5.043 -10.760 1.971 1.00 0.00 C ATOM 659 NE ARG A 46 -5.235 -12.058 1.286 1.00 0.00 N ATOM 660 CZ ARG A 46 -5.314 -13.237 1.917 1.00 0.00 C ATOM 661 NH1 ARG A 46 -5.217 -13.290 3.252 1.00 0.00 N ATOM 662 NH2 ARG A 46 -5.489 -14.364 1.213 1.00 0.00 N ATOM 0 H ARG A 46 -6.101 -7.116 0.125 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.902 -9.287 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.239 -8.967 1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.049 -10.523 0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.501 -9.760 0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.914 -8.672 1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.057 -10.726 2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.775 -10.651 2.772 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.312 -12.055 0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.083 -12.433 3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.277 -14.188 3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.562 -14.324 0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.549 -15.262 1.694 1.00 0.00 H new ATOM 676 N GLN A 47 -9.039 -8.424 -0.928 1.00 0.00 N ATOM 677 CA GLN A 47 -10.405 -8.531 -1.409 1.00 0.00 C ATOM 678 C GLN A 47 -10.493 -8.062 -2.863 1.00 0.00 C ATOM 679 O GLN A 47 -10.904 -8.821 -3.740 1.00 0.00 O ATOM 680 CB GLN A 47 -11.364 -7.738 -0.519 1.00 0.00 C ATOM 681 CG GLN A 47 -11.613 -8.466 0.803 1.00 0.00 C ATOM 682 CD GLN A 47 -13.099 -8.445 1.169 1.00 0.00 C ATOM 683 OE1 GLN A 47 -13.899 -7.735 0.583 1.00 0.00 O ATOM 684 NE2 GLN A 47 -13.421 -9.262 2.168 1.00 0.00 N ATOM 0 H GLN A 47 -8.924 -7.844 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.704 -9.578 -1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.949 -6.750 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -12.310 -7.589 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.269 -9.497 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.033 -7.995 1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.701 -9.829 2.615 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.388 -9.321 2.487 1.00 0.00 H new ATOM 693 N SER A 48 -10.101 -6.814 -3.074 1.00 0.00 N ATOM 694 CA SER A 48 -10.130 -6.236 -4.407 1.00 0.00 C ATOM 695 C SER A 48 -9.595 -7.243 -5.427 1.00 0.00 C ATOM 696 O SER A 48 -10.295 -7.608 -6.370 1.00 0.00 O ATOM 697 CB SER A 48 -9.318 -4.940 -4.463 1.00 0.00 C ATOM 698 OG SER A 48 -9.971 -3.934 -5.232 1.00 0.00 O ATOM 0 H SER A 48 -9.762 -6.187 -2.344 1.00 0.00 H new ATOM 0 HA SER A 48 -11.164 -5.996 -4.653 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.152 -4.572 -3.450 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.337 -5.145 -4.892 1.00 0.00 H new ATOM 0 HG SER A 48 -9.422 -3.122 -5.242 1.00 0.00 H new ATOM 704 N SER A 49 -8.358 -7.663 -5.203 1.00 0.00 N ATOM 705 CA SER A 49 -7.721 -8.620 -6.090 1.00 0.00 C ATOM 706 C SER A 49 -8.614 -9.851 -6.260 1.00 0.00 C ATOM 707 O SER A 49 -8.681 -10.701 -5.373 1.00 0.00 O ATOM 708 CB SER A 49 -6.346 -9.031 -5.561 1.00 0.00 C ATOM 709 OG SER A 49 -5.561 -9.678 -6.559 1.00 0.00 O ATOM 0 H SER A 49 -7.781 -7.357 -4.420 1.00 0.00 H new ATOM 0 HA SER A 49 -7.580 -8.145 -7.061 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.818 -8.148 -5.200 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.470 -9.699 -4.708 1.00 0.00 H new ATOM 0 HG SER A 49 -4.690 -9.923 -6.182 1.00 0.00 H new ATOM 715 N GLY A 50 -9.277 -9.908 -7.405 1.00 0.00 N ATOM 716 CA GLY A 50 -10.163 -11.021 -7.703 1.00 0.00 C ATOM 717 C GLY A 50 -9.393 -12.343 -7.728 1.00 0.00 C ATOM 718 O GLY A 50 -8.209 -12.382 -7.399 1.00 0.00 O ATOM 0 H GLY A 50 -9.219 -9.201 -8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.954 -11.071 -6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.645 -10.859 -8.667 1.00 0.00 H new ATOM 722 N PRO A 51 -10.117 -13.421 -8.131 1.00 0.00 N ATOM 723 CA PRO A 51 -9.515 -14.742 -8.203 1.00 0.00 C ATOM 724 C PRO A 51 -8.595 -14.859 -9.421 1.00 0.00 C ATOM 725 O PRO A 51 -9.043 -15.220 -10.509 1.00 0.00 O ATOM 726 CB PRO A 51 -10.688 -15.707 -8.249 1.00 0.00 C ATOM 727 CG PRO A 51 -11.892 -14.880 -8.669 1.00 0.00 C ATOM 728 CD PRO A 51 -11.522 -13.413 -8.528 1.00 0.00 C ATOM 0 HA PRO A 51 -8.872 -14.959 -7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.502 -16.514 -8.958 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.852 -16.169 -7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.170 -15.106 -9.698 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.754 -15.118 -8.046 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.665 -12.877 -9.466 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.142 -12.918 -7.780 1.00 0.00 H new ATOM 736 N SER A 52 -7.327 -14.548 -9.197 1.00 0.00 N ATOM 737 CA SER A 52 -6.341 -14.615 -10.262 1.00 0.00 C ATOM 738 C SER A 52 -6.650 -13.560 -11.327 1.00 0.00 C ATOM 739 O SER A 52 -7.241 -13.871 -12.360 1.00 0.00 O ATOM 740 CB SER A 52 -6.303 -16.009 -10.891 1.00 0.00 C ATOM 741 OG SER A 52 -5.153 -16.747 -10.484 1.00 0.00 O ATOM 0 H SER A 52 -6.960 -14.249 -8.294 1.00 0.00 H new ATOM 0 HA SER A 52 -5.359 -14.413 -9.833 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.203 -16.557 -10.612 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.309 -15.917 -11.977 1.00 0.00 H new ATOM 0 HG SER A 52 -5.166 -17.632 -10.905 1.00 0.00 H new ATOM 747 N SER A 53 -6.235 -12.336 -11.039 1.00 0.00 N ATOM 748 CA SER A 53 -6.459 -11.234 -11.959 1.00 0.00 C ATOM 749 C SER A 53 -5.579 -10.043 -11.574 1.00 0.00 C ATOM 750 O SER A 53 -5.389 -9.764 -10.392 1.00 0.00 O ATOM 751 CB SER A 53 -7.933 -10.821 -11.976 1.00 0.00 C ATOM 752 OG SER A 53 -8.334 -10.325 -13.250 1.00 0.00 O ATOM 0 H SER A 53 -5.745 -12.083 -10.181 1.00 0.00 H new ATOM 0 HA SER A 53 -6.191 -11.567 -12.962 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.552 -11.677 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.104 -10.056 -11.219 1.00 0.00 H new ATOM 0 HG SER A 53 -9.281 -10.074 -13.220 1.00 0.00 H new ATOM 758 N GLY A 54 -5.066 -9.372 -12.596 1.00 0.00 N ATOM 759 CA GLY A 54 -4.211 -8.218 -12.379 1.00 0.00 C ATOM 760 C GLY A 54 -2.867 -8.390 -13.090 1.00 0.00 C ATOM 761 O GLY A 54 -1.815 -8.351 -12.454 1.00 0.00 O ATOM 0 H GLY A 54 -5.226 -9.606 -13.576 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.707 -7.319 -12.745 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.046 -8.079 -11.311 1.00 0.00 H new TER 765 GLY A 54