USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 485 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 53 SER OG : rot 180:sc= 1.13 USER MOD Set 1.2: A 56 THR OG1 : rot 78:sc= 0.996 USER MOD Set 2.1: A 37 SER OG : rot 109:sc= 0.848 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.716 X(o=1.6,f=1.3) USER MOD Single : A 3 GLN : amide:sc= -0.0768 X(o=-0.077,f=-0.045) USER MOD Single : A 5 THR OG1 : rot -160:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.52 K(o=0.52,f=0) USER MOD Single : A 12 MET CE :methyl 180:sc=-0.00613 (180deg=-0.00613) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -33:sc= 0.838 USER MOD Single : A 26 SER OG : rot -45:sc= 0.532 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0338) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 170:sc= 0.218 (180deg=0.198) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00188 USER MOD Single : A 41 SER OG : rot 8:sc= 0.501 USER MOD Single : A 42 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -176:sc= 0 (180deg=-0.00936) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.251 -19.620 1.376 1.00 0.00 N ATOM 37 CA GLN A 3 -0.120 -19.137 1.277 1.00 0.00 C ATOM 38 C GLN A 3 -0.128 -17.635 1.559 1.00 0.00 C ATOM 39 O GLN A 3 0.805 -17.120 2.169 1.00 0.00 O ATOM 40 CB GLN A 3 -1.002 -19.855 2.309 1.00 0.00 C ATOM 41 CG GLN A 3 -1.301 -21.322 1.970 1.00 0.00 C ATOM 42 CD GLN A 3 -2.223 -21.462 0.761 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.443 -21.424 0.903 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.651 -21.632 -0.432 1.00 0.00 N ATOM 0 HA GLN A 3 -0.510 -19.335 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.512 -19.811 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.945 -19.316 2.402 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.365 -21.845 1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.760 -21.805 2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.634 -21.658 -0.511 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.230 -21.736 -1.265 1.00 0.00 H new ATOM 53 N GLU A 4 -1.190 -16.944 1.125 1.00 0.00 N ATOM 54 CA GLU A 4 -1.393 -15.522 1.366 1.00 0.00 C ATOM 55 C GLU A 4 -2.692 -15.323 2.145 1.00 0.00 C ATOM 56 O GLU A 4 -3.667 -16.037 1.908 1.00 0.00 O ATOM 57 CB GLU A 4 -1.404 -14.768 0.029 1.00 0.00 C ATOM 58 CG GLU A 4 -1.390 -13.248 0.232 1.00 0.00 C ATOM 59 CD GLU A 4 -1.284 -12.511 -1.098 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.134 -12.303 -1.542 1.00 0.00 O ATOM 61 OE2 GLU A 4 -2.354 -12.167 -1.647 1.00 0.00 O ATOM 0 H GLU A 4 -1.943 -17.372 0.587 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.576 -15.118 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.537 -15.064 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.290 -15.051 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.299 -12.940 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.551 -12.972 0.871 1.00 0.00 H new ATOM 68 N THR A 5 -2.698 -14.358 3.073 1.00 0.00 N ATOM 69 CA THR A 5 -3.854 -14.009 3.887 1.00 0.00 C ATOM 70 C THR A 5 -4.003 -12.489 3.946 1.00 0.00 C ATOM 71 O THR A 5 -3.009 -11.769 4.041 1.00 0.00 O ATOM 72 CB THR A 5 -3.740 -14.635 5.288 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.916 -14.364 6.021 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.530 -14.132 6.086 1.00 0.00 C ATOM 0 H THR A 5 -1.877 -13.789 3.278 1.00 0.00 H new ATOM 0 HA THR A 5 -4.756 -14.416 3.430 1.00 0.00 H new ATOM 0 HB THR A 5 -3.603 -15.706 5.139 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.736 -14.469 6.979 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.512 -14.615 7.063 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.614 -14.371 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.603 -13.052 6.216 1.00 0.00 H new ATOM 82 N VAL A 6 -5.255 -12.018 3.890 1.00 0.00 N ATOM 83 CA VAL A 6 -5.617 -10.618 4.033 1.00 0.00 C ATOM 84 C VAL A 6 -6.188 -10.435 5.435 1.00 0.00 C ATOM 85 O VAL A 6 -7.273 -10.929 5.738 1.00 0.00 O ATOM 86 CB VAL A 6 -6.618 -10.205 2.940 1.00 0.00 C ATOM 87 CG1 VAL A 6 -7.029 -8.736 3.108 1.00 0.00 C ATOM 88 CG2 VAL A 6 -6.002 -10.385 1.545 1.00 0.00 C ATOM 0 H VAL A 6 -6.061 -12.625 3.739 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.747 -9.973 3.909 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.495 -10.844 3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.737 -8.464 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.496 -8.598 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.146 -8.101 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.726 -10.087 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.110 -9.765 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.732 -11.431 1.399 1.00 0.00 H new ATOM 98 N ILE A 7 -5.452 -9.719 6.288 1.00 0.00 N ATOM 99 CA ILE A 7 -5.875 -9.377 7.633 1.00 0.00 C ATOM 100 C ILE A 7 -6.393 -7.945 7.567 1.00 0.00 C ATOM 101 O ILE A 7 -5.671 -7.059 7.124 1.00 0.00 O ATOM 102 CB ILE A 7 -4.693 -9.523 8.613 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.077 -10.930 8.490 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.175 -9.249 10.046 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.963 -11.206 9.503 1.00 0.00 C ATOM 0 H ILE A 7 -4.528 -9.357 6.051 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.658 -10.041 7.998 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.920 -8.795 8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.864 -11.674 8.617 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.679 -11.056 7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.339 -9.353 10.737 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.574 -8.237 10.108 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.955 -9.963 10.310 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.578 -12.215 9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.157 -10.486 9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.360 -11.114 10.514 1.00 0.00 H new ATOM 117 N ASN A 8 -7.637 -7.714 7.986 1.00 0.00 N ATOM 118 CA ASN A 8 -8.249 -6.393 8.019 1.00 0.00 C ATOM 119 C ASN A 8 -7.791 -5.704 9.300 1.00 0.00 C ATOM 120 O ASN A 8 -8.160 -6.143 10.388 1.00 0.00 O ATOM 121 CB ASN A 8 -9.778 -6.519 7.969 1.00 0.00 C ATOM 122 CG ASN A 8 -10.240 -7.349 6.773 1.00 0.00 C ATOM 123 OD1 ASN A 8 -10.446 -6.817 5.685 1.00 0.00 O ATOM 124 ND2 ASN A 8 -10.404 -8.660 6.971 1.00 0.00 N ATOM 0 H ASN A 8 -8.255 -8.455 8.317 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.946 -5.801 7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.135 -6.979 8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.223 -5.525 7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.711 -9.257 6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.222 -9.064 7.890 1.00 0.00 H new ATOM 131 N ILE A 9 -6.973 -4.652 9.169 1.00 0.00 N ATOM 132 CA ILE A 9 -6.303 -3.986 10.278 1.00 0.00 C ATOM 133 C ILE A 9 -6.822 -2.554 10.353 1.00 0.00 C ATOM 134 O ILE A 9 -6.456 -1.722 9.525 1.00 0.00 O ATOM 135 CB ILE A 9 -4.771 -4.013 10.102 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.249 -5.443 9.882 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.124 -3.412 11.362 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.768 -5.479 9.492 1.00 0.00 C ATOM 0 H ILE A 9 -6.758 -4.235 8.263 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.521 -4.509 11.209 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.510 -3.430 9.219 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.394 -6.023 10.794 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.838 -5.924 9.101 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.039 -3.423 11.255 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.465 -2.385 11.492 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.408 -4.002 12.234 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.454 -6.513 9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.622 -4.925 8.565 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.172 -5.025 10.284 1.00 0.00 H new ATOM 150 N ASP A 10 -7.660 -2.265 11.353 1.00 0.00 N ATOM 151 CA ASP A 10 -8.173 -0.925 11.596 1.00 0.00 C ATOM 152 C ASP A 10 -7.377 -0.268 12.725 1.00 0.00 C ATOM 153 O ASP A 10 -6.838 -0.950 13.598 1.00 0.00 O ATOM 154 CB ASP A 10 -9.676 -0.983 11.895 1.00 0.00 C ATOM 155 CG ASP A 10 -10.448 -1.593 10.727 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.681 -0.848 9.749 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.784 -2.793 10.829 1.00 0.00 O ATOM 0 H ASP A 10 -8.000 -2.961 12.016 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.048 -0.310 10.705 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.848 -1.573 12.796 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.049 0.021 12.096 1.00 0.00 H new ATOM 162 N GLY A 11 -7.297 1.068 12.682 1.00 0.00 N ATOM 163 CA GLY A 11 -6.562 1.881 13.640 1.00 0.00 C ATOM 164 C GLY A 11 -5.139 2.216 13.183 1.00 0.00 C ATOM 165 O GLY A 11 -4.352 2.708 13.988 1.00 0.00 O ATOM 0 H GLY A 11 -7.756 1.621 11.958 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.108 2.808 13.814 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.516 1.354 14.593 1.00 0.00 H new ATOM 169 N MET A 12 -4.797 1.970 11.908 1.00 0.00 N ATOM 170 CA MET A 12 -3.489 2.308 11.361 1.00 0.00 C ATOM 171 C MET A 12 -3.437 3.806 11.055 1.00 0.00 C ATOM 172 O MET A 12 -3.626 4.220 9.914 1.00 0.00 O ATOM 173 CB MET A 12 -3.178 1.468 10.114 1.00 0.00 C ATOM 174 CG MET A 12 -3.178 -0.032 10.420 1.00 0.00 C ATOM 175 SD MET A 12 -2.385 -1.072 9.162 1.00 0.00 S ATOM 176 CE MET A 12 -3.466 -0.774 7.745 1.00 0.00 C ATOM 0 H MET A 12 -5.425 1.531 11.234 1.00 0.00 H new ATOM 0 HA MET A 12 -2.722 2.076 12.100 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.916 1.680 9.340 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.206 1.757 9.715 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.674 -0.193 11.373 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.209 -0.362 10.545 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.109 -1.346 6.888 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.482 -1.084 7.991 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.460 0.288 7.500 1.00 0.00 H new ATOM 225 N SER A 16 2.515 5.422 8.882 1.00 0.00 N ATOM 226 CA SER A 16 3.491 5.441 9.964 1.00 0.00 C ATOM 227 C SER A 16 3.264 4.175 10.783 1.00 0.00 C ATOM 228 O SER A 16 4.182 3.380 10.974 1.00 0.00 O ATOM 229 CB SER A 16 3.317 6.703 10.819 1.00 0.00 C ATOM 230 OG SER A 16 3.719 7.851 10.099 1.00 0.00 O ATOM 0 HA SER A 16 4.511 5.464 9.579 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.275 6.803 11.121 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.906 6.615 11.732 1.00 0.00 H new ATOM 0 HG SER A 16 3.600 8.647 10.659 1.00 0.00 H new ATOM 236 N CYS A 17 2.017 3.980 11.233 1.00 0.00 N ATOM 237 CA CYS A 17 1.569 2.725 11.815 1.00 0.00 C ATOM 238 C CYS A 17 1.792 1.615 10.788 1.00 0.00 C ATOM 239 O CYS A 17 2.356 0.576 11.114 1.00 0.00 O ATOM 240 CB CYS A 17 0.089 2.823 12.193 1.00 0.00 C ATOM 241 SG CYS A 17 -0.103 3.956 13.591 1.00 0.00 S ATOM 0 H CYS A 17 1.293 4.698 11.199 1.00 0.00 H new ATOM 0 HA CYS A 17 2.133 2.504 12.722 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.492 3.177 11.342 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.297 1.838 12.454 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.360 4.041 13.911 1.00 0.00 H new ATOM 247 N VAL A 18 1.379 1.868 9.541 1.00 0.00 N ATOM 248 CA VAL A 18 1.591 1.000 8.389 1.00 0.00 C ATOM 249 C VAL A 18 3.060 0.579 8.295 1.00 0.00 C ATOM 250 O VAL A 18 3.353 -0.611 8.183 1.00 0.00 O ATOM 251 CB VAL A 18 1.148 1.757 7.124 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.483 1.008 5.829 1.00 0.00 C ATOM 253 CG2 VAL A 18 -0.364 2.014 7.162 1.00 0.00 C ATOM 0 H VAL A 18 0.868 2.718 9.303 1.00 0.00 H new ATOM 0 HA VAL A 18 1.001 0.089 8.493 1.00 0.00 H new ATOM 0 HB VAL A 18 1.702 2.696 7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.146 1.593 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.561 0.858 5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.981 0.040 5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.665 2.550 6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.894 1.063 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.609 2.612 8.039 1.00 0.00 H new ATOM 263 N GLN A 19 3.976 1.555 8.342 1.00 0.00 N ATOM 264 CA GLN A 19 5.405 1.315 8.212 1.00 0.00 C ATOM 265 C GLN A 19 5.926 0.442 9.354 1.00 0.00 C ATOM 266 O GLN A 19 6.641 -0.525 9.100 1.00 0.00 O ATOM 267 CB GLN A 19 6.170 2.644 8.141 1.00 0.00 C ATOM 268 CG GLN A 19 5.758 3.477 6.921 1.00 0.00 C ATOM 269 CD GLN A 19 6.700 4.663 6.726 1.00 0.00 C ATOM 270 OE1 GLN A 19 7.792 4.503 6.188 1.00 0.00 O ATOM 271 NE2 GLN A 19 6.290 5.857 7.157 1.00 0.00 N ATOM 0 H GLN A 19 3.737 2.538 8.473 1.00 0.00 H new ATOM 0 HA GLN A 19 5.574 0.773 7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.987 3.217 9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.241 2.445 8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.766 2.851 6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.737 3.836 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.376 5.953 7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.890 6.674 7.044 1.00 0.00 H new ATOM 280 N SER A 20 5.576 0.777 10.603 1.00 0.00 N ATOM 281 CA SER A 20 6.030 0.040 11.777 1.00 0.00 C ATOM 282 C SER A 20 5.554 -1.415 11.738 1.00 0.00 C ATOM 283 O SER A 20 6.353 -2.327 11.939 1.00 0.00 O ATOM 284 CB SER A 20 5.599 0.761 13.061 1.00 0.00 C ATOM 285 OG SER A 20 4.196 0.764 13.213 1.00 0.00 O ATOM 0 H SER A 20 4.970 1.568 10.822 1.00 0.00 H new ATOM 0 HA SER A 20 7.120 0.010 11.769 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.057 0.275 13.922 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.965 1.788 13.042 1.00 0.00 H new ATOM 0 HG SER A 20 3.771 0.802 12.331 1.00 0.00 H new ATOM 291 N ILE A 21 4.261 -1.626 11.462 1.00 0.00 N ATOM 292 CA ILE A 21 3.655 -2.944 11.314 1.00 0.00 C ATOM 293 C ILE A 21 4.430 -3.747 10.271 1.00 0.00 C ATOM 294 O ILE A 21 4.944 -4.819 10.582 1.00 0.00 O ATOM 295 CB ILE A 21 2.170 -2.799 10.928 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.355 -2.219 12.100 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.579 -4.157 10.522 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.012 -1.662 11.618 1.00 0.00 C ATOM 0 H ILE A 21 3.596 -0.863 11.333 1.00 0.00 H new ATOM 0 HA ILE A 21 3.701 -3.482 12.261 1.00 0.00 H new ATOM 0 HB ILE A 21 2.114 -2.116 10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.183 -2.995 12.846 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.926 -1.429 12.587 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.530 -4.032 10.253 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.128 -4.552 9.667 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.659 -4.853 11.357 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.541 -1.260 12.467 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.187 -0.869 10.890 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.567 -2.460 11.153 1.00 0.00 H new ATOM 310 N GLU A 22 4.506 -3.227 9.041 1.00 0.00 N ATOM 311 CA GLU A 22 5.146 -3.898 7.920 1.00 0.00 C ATOM 312 C GLU A 22 6.587 -4.283 8.272 1.00 0.00 C ATOM 313 O GLU A 22 6.985 -5.429 8.076 1.00 0.00 O ATOM 314 CB GLU A 22 5.065 -2.991 6.684 1.00 0.00 C ATOM 315 CG GLU A 22 5.453 -3.737 5.404 1.00 0.00 C ATOM 316 CD GLU A 22 5.165 -2.887 4.170 1.00 0.00 C ATOM 317 OE1 GLU A 22 6.069 -2.111 3.790 1.00 0.00 O ATOM 318 OE2 GLU A 22 4.047 -3.025 3.631 1.00 0.00 O ATOM 0 H GLU A 22 4.117 -2.315 8.800 1.00 0.00 H new ATOM 0 HA GLU A 22 4.626 -4.829 7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.052 -2.602 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.724 -2.133 6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.512 -3.994 5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.900 -4.674 5.342 1.00 0.00 H new ATOM 325 N GLY A 23 7.348 -3.326 8.815 1.00 0.00 N ATOM 326 CA GLY A 23 8.728 -3.506 9.233 1.00 0.00 C ATOM 327 C GLY A 23 8.890 -4.666 10.216 1.00 0.00 C ATOM 328 O GLY A 23 9.716 -5.544 9.990 1.00 0.00 O ATOM 0 H GLY A 23 7.003 -2.380 8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.350 -3.686 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.088 -2.587 9.696 1.00 0.00 H new ATOM 332 N VAL A 24 8.112 -4.674 11.305 1.00 0.00 N ATOM 333 CA VAL A 24 8.227 -5.698 12.336 1.00 0.00 C ATOM 334 C VAL A 24 7.781 -7.062 11.797 1.00 0.00 C ATOM 335 O VAL A 24 8.543 -8.024 11.875 1.00 0.00 O ATOM 336 CB VAL A 24 7.458 -5.275 13.601 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.453 -6.394 14.651 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.121 -4.042 14.234 1.00 0.00 C ATOM 0 H VAL A 24 7.393 -3.975 11.490 1.00 0.00 H new ATOM 0 HA VAL A 24 9.274 -5.803 12.622 1.00 0.00 H new ATOM 0 HB VAL A 24 6.435 -5.053 13.298 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.902 -6.064 15.532 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.975 -7.281 14.235 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.478 -6.633 14.933 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.569 -3.751 15.128 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.150 -4.280 14.504 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.115 -3.219 13.520 1.00 0.00 H new ATOM 348 N ILE A 25 6.557 -7.153 11.260 1.00 0.00 N ATOM 349 CA ILE A 25 5.975 -8.423 10.837 1.00 0.00 C ATOM 350 C ILE A 25 6.799 -9.071 9.717 1.00 0.00 C ATOM 351 O ILE A 25 6.938 -10.293 9.713 1.00 0.00 O ATOM 352 CB ILE A 25 4.471 -8.274 10.514 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.602 -8.306 11.789 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.963 -9.437 9.647 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.822 -7.155 12.772 1.00 0.00 C ATOM 0 H ILE A 25 5.948 -6.348 11.109 1.00 0.00 H new ATOM 0 HA ILE A 25 6.023 -9.122 11.672 1.00 0.00 H new ATOM 0 HB ILE A 25 4.384 -7.318 9.998 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.553 -8.310 11.492 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.789 -9.245 12.310 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.902 -9.300 9.439 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.516 -9.460 8.708 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.110 -10.378 10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.161 -7.278 13.630 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.858 -7.158 13.109 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.604 -6.208 12.278 1.00 0.00 H new ATOM 367 N SER A 26 7.365 -8.287 8.784 1.00 0.00 N ATOM 368 CA SER A 26 8.209 -8.820 7.714 1.00 0.00 C ATOM 369 C SER A 26 9.371 -9.673 8.241 1.00 0.00 C ATOM 370 O SER A 26 9.807 -10.594 7.554 1.00 0.00 O ATOM 371 CB SER A 26 8.735 -7.693 6.815 1.00 0.00 C ATOM 372 OG SER A 26 9.581 -6.818 7.527 1.00 0.00 O ATOM 0 H SER A 26 7.249 -7.274 8.754 1.00 0.00 H new ATOM 0 HA SER A 26 7.574 -9.479 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.278 -8.121 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.896 -7.134 6.402 1.00 0.00 H new ATOM 0 HG SER A 26 9.171 -6.596 8.389 1.00 0.00 H new ATOM 378 N LYS A 27 9.865 -9.375 9.450 1.00 0.00 N ATOM 379 CA LYS A 27 11.013 -10.045 10.049 1.00 0.00 C ATOM 380 C LYS A 27 10.605 -11.278 10.868 1.00 0.00 C ATOM 381 O LYS A 27 11.483 -12.022 11.302 1.00 0.00 O ATOM 382 CB LYS A 27 11.779 -9.046 10.927 1.00 0.00 C ATOM 383 CG LYS A 27 12.312 -7.866 10.105 1.00 0.00 C ATOM 384 CD LYS A 27 13.010 -6.852 11.020 1.00 0.00 C ATOM 385 CE LYS A 27 13.415 -5.586 10.256 1.00 0.00 C ATOM 386 NZ LYS A 27 14.385 -5.873 9.186 1.00 0.00 N ATOM 0 H LYS A 27 9.467 -8.648 10.045 1.00 0.00 H new ATOM 0 HA LYS A 27 11.655 -10.401 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.123 -8.675 11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.610 -9.554 11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.011 -8.226 9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.491 -7.383 9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.345 -6.585 11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.895 -7.309 11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.527 -5.123 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.845 -4.865 10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.696 -4.981 8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.207 -6.368 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.938 -6.473 8.464 1.00 0.00 H new ATOM 400 N LYS A 28 9.303 -11.513 11.085 1.00 0.00 N ATOM 401 CA LYS A 28 8.832 -12.668 11.840 1.00 0.00 C ATOM 402 C LYS A 28 9.057 -13.945 11.020 1.00 0.00 C ATOM 403 O LYS A 28 8.888 -13.921 9.800 1.00 0.00 O ATOM 404 CB LYS A 28 7.346 -12.510 12.191 1.00 0.00 C ATOM 405 CG LYS A 28 7.063 -11.308 13.103 1.00 0.00 C ATOM 406 CD LYS A 28 7.498 -11.544 14.554 1.00 0.00 C ATOM 407 CE LYS A 28 7.161 -10.313 15.400 1.00 0.00 C ATOM 408 NZ LYS A 28 7.539 -10.506 16.809 1.00 0.00 N ATOM 0 H LYS A 28 8.556 -10.908 10.742 1.00 0.00 H new ATOM 0 HA LYS A 28 9.395 -12.739 12.771 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.772 -12.402 11.271 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.997 -13.419 12.680 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.580 -10.432 12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.996 -11.085 13.081 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.994 -12.423 14.957 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.569 -11.743 14.595 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.680 -9.442 14.999 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.093 -10.106 15.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.297 -9.654 17.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.025 -11.322 17.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.563 -10.679 16.873 1.00 0.00 H new ATOM 422 N PRO A 29 9.435 -15.063 11.663 1.00 0.00 N ATOM 423 CA PRO A 29 9.726 -16.310 10.976 1.00 0.00 C ATOM 424 C PRO A 29 8.459 -16.850 10.315 1.00 0.00 C ATOM 425 O PRO A 29 7.408 -16.921 10.948 1.00 0.00 O ATOM 426 CB PRO A 29 10.266 -17.259 12.050 1.00 0.00 C ATOM 427 CG PRO A 29 9.636 -16.733 13.337 1.00 0.00 C ATOM 428 CD PRO A 29 9.586 -15.225 13.100 1.00 0.00 C ATOM 0 HA PRO A 29 10.456 -16.186 10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.978 -18.292 11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.355 -17.235 12.097 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.642 -17.150 13.500 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.235 -16.985 14.212 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.753 -14.771 13.636 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.496 -14.741 13.456 1.00 0.00 H new ATOM 436 N GLY A 30 8.571 -17.213 9.033 1.00 0.00 N ATOM 437 CA GLY A 30 7.464 -17.711 8.235 1.00 0.00 C ATOM 438 C GLY A 30 6.954 -16.668 7.247 1.00 0.00 C ATOM 439 O GLY A 30 6.505 -17.043 6.165 1.00 0.00 O ATOM 0 H GLY A 30 9.451 -17.165 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.781 -18.600 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.650 -18.014 8.894 1.00 0.00 H new ATOM 443 N VAL A 31 7.020 -15.376 7.594 1.00 0.00 N ATOM 444 CA VAL A 31 6.598 -14.305 6.702 1.00 0.00 C ATOM 445 C VAL A 31 7.614 -14.159 5.569 1.00 0.00 C ATOM 446 O VAL A 31 8.820 -14.235 5.799 1.00 0.00 O ATOM 447 CB VAL A 31 6.415 -12.988 7.474 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.984 -11.854 6.532 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.334 -13.163 8.545 1.00 0.00 C ATOM 0 H VAL A 31 7.366 -15.052 8.497 1.00 0.00 H new ATOM 0 HA VAL A 31 5.630 -14.556 6.269 1.00 0.00 H new ATOM 0 HB VAL A 31 7.370 -12.732 7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.861 -10.934 7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.746 -11.707 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.038 -12.115 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.207 -12.228 9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.392 -13.437 8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.633 -13.949 9.238 1.00 0.00 H new ATOM 459 N LYS A 32 7.106 -13.952 4.350 1.00 0.00 N ATOM 460 CA LYS A 32 7.889 -13.734 3.147 1.00 0.00 C ATOM 461 C LYS A 32 7.727 -12.262 2.756 1.00 0.00 C ATOM 462 O LYS A 32 8.353 -11.405 3.378 1.00 0.00 O ATOM 463 CB LYS A 32 7.448 -14.738 2.066 1.00 0.00 C ATOM 464 CG LYS A 32 7.583 -16.204 2.508 1.00 0.00 C ATOM 465 CD LYS A 32 9.041 -16.632 2.725 1.00 0.00 C ATOM 466 CE LYS A 32 9.134 -18.095 3.172 1.00 0.00 C ATOM 467 NZ LYS A 32 8.673 -18.272 4.559 1.00 0.00 N ATOM 0 H LYS A 32 6.101 -13.932 4.176 1.00 0.00 H new ATOM 0 HA LYS A 32 8.954 -13.916 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.410 -14.540 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.045 -14.580 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.025 -16.352 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.129 -16.848 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.603 -16.496 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.502 -15.991 3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.535 -18.717 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.165 -18.437 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.590 -19.287 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.358 -17.838 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.746 -17.816 4.677 1.00 0.00 H new ATOM 481 N SER A 33 6.889 -11.953 1.758 1.00 0.00 N ATOM 482 CA SER A 33 6.535 -10.588 1.398 1.00 0.00 C ATOM 483 C SER A 33 5.296 -10.160 2.186 1.00 0.00 C ATOM 484 O SER A 33 4.489 -11.000 2.581 1.00 0.00 O ATOM 485 CB SER A 33 6.300 -10.501 -0.114 1.00 0.00 C ATOM 486 OG SER A 33 5.309 -11.420 -0.523 1.00 0.00 O ATOM 0 H SER A 33 6.436 -12.657 1.175 1.00 0.00 H new ATOM 0 HA SER A 33 7.349 -9.909 1.651 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.996 -9.489 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.231 -10.704 -0.643 1.00 0.00 H new ATOM 0 HG SER A 33 5.174 -11.346 -1.491 1.00 0.00 H new ATOM 492 N ILE A 34 5.144 -8.851 2.408 1.00 0.00 N ATOM 493 CA ILE A 34 3.997 -8.281 3.100 1.00 0.00 C ATOM 494 C ILE A 34 3.738 -6.872 2.569 1.00 0.00 C ATOM 495 O ILE A 34 4.661 -6.061 2.495 1.00 0.00 O ATOM 496 CB ILE A 34 4.187 -8.324 4.630 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.051 -7.534 5.305 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.567 -7.816 5.076 1.00 0.00 C ATOM 499 CD1 ILE A 34 2.991 -7.719 6.822 1.00 0.00 C ATOM 0 H ILE A 34 5.825 -8.154 2.107 1.00 0.00 H new ATOM 0 HA ILE A 34 3.110 -8.882 2.898 1.00 0.00 H new ATOM 0 HB ILE A 34 4.143 -9.367 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.175 -6.474 5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.099 -7.842 4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.641 -7.870 6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.345 -8.434 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.695 -6.782 4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.167 -7.133 7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.836 -8.773 7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.928 -7.384 7.267 1.00 0.00 H new ATOM 511 N ARG A 35 2.479 -6.602 2.199 1.00 0.00 N ATOM 512 CA ARG A 35 2.011 -5.319 1.691 1.00 0.00 C ATOM 513 C ARG A 35 0.906 -4.803 2.611 1.00 0.00 C ATOM 514 O ARG A 35 -0.217 -5.303 2.562 1.00 0.00 O ATOM 515 CB ARG A 35 1.486 -5.478 0.254 1.00 0.00 C ATOM 516 CG ARG A 35 2.522 -5.942 -0.785 1.00 0.00 C ATOM 517 CD ARG A 35 3.582 -4.885 -1.123 1.00 0.00 C ATOM 518 NE ARG A 35 4.589 -4.774 -0.063 1.00 0.00 N ATOM 519 CZ ARG A 35 5.497 -3.795 0.062 1.00 0.00 C ATOM 520 NH1 ARG A 35 5.606 -2.829 -0.861 1.00 0.00 N ATOM 521 NH2 ARG A 35 6.299 -3.793 1.133 1.00 0.00 N ATOM 0 H ARG A 35 1.737 -7.300 2.250 1.00 0.00 H new ATOM 0 HA ARG A 35 2.834 -4.604 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.663 -6.193 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.075 -4.522 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.021 -6.836 -0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.002 -6.226 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.069 -5.145 -2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.099 -3.919 -1.270 1.00 0.00 H new ATOM 0 HE ARG A 35 4.600 -5.509 0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.992 -2.830 -1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.303 -2.093 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.213 -4.527 1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.996 -3.057 1.247 1.00 0.00 H new ATOM 535 N VAL A 36 1.224 -3.803 3.443 1.00 0.00 N ATOM 536 CA VAL A 36 0.267 -3.149 4.326 1.00 0.00 C ATOM 537 C VAL A 36 -0.218 -1.863 3.654 1.00 0.00 C ATOM 538 O VAL A 36 0.594 -1.005 3.312 1.00 0.00 O ATOM 539 CB VAL A 36 0.892 -2.887 5.709 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.178 -2.399 6.695 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.530 -4.154 6.289 1.00 0.00 C ATOM 0 H VAL A 36 2.168 -3.425 3.518 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.593 -3.797 4.496 1.00 0.00 H new ATOM 0 HB VAL A 36 1.661 -2.127 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.279 -2.218 7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.620 -1.474 6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.954 -3.158 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.961 -3.930 7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.770 -4.928 6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.314 -4.506 5.619 1.00 0.00 H new ATOM 551 N SER A 37 -1.538 -1.744 3.458 1.00 0.00 N ATOM 552 CA SER A 37 -2.178 -0.620 2.785 1.00 0.00 C ATOM 553 C SER A 37 -2.967 0.219 3.789 1.00 0.00 C ATOM 554 O SER A 37 -3.801 -0.313 4.520 1.00 0.00 O ATOM 555 CB SER A 37 -3.114 -1.148 1.693 1.00 0.00 C ATOM 556 OG SER A 37 -3.808 -0.082 1.073 1.00 0.00 O ATOM 0 H SER A 37 -2.203 -2.450 3.774 1.00 0.00 H new ATOM 0 HA SER A 37 -1.412 0.010 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.539 -1.697 0.947 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.827 -1.850 2.126 1.00 0.00 H new ATOM 0 HG SER A 37 -3.466 0.046 0.163 1.00 0.00 H new ATOM 562 N LEU A 38 -2.716 1.534 3.791 1.00 0.00 N ATOM 563 CA LEU A 38 -3.496 2.509 4.538 1.00 0.00 C ATOM 564 C LEU A 38 -4.903 2.594 3.942 1.00 0.00 C ATOM 565 O LEU A 38 -5.892 2.451 4.659 1.00 0.00 O ATOM 566 CB LEU A 38 -2.795 3.876 4.474 1.00 0.00 C ATOM 567 CG LEU A 38 -3.492 4.975 5.297 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.482 4.664 6.798 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.777 6.310 5.057 1.00 0.00 C ATOM 0 H LEU A 38 -1.950 1.950 3.262 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.576 2.206 5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.771 3.765 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.739 4.196 3.434 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.532 5.027 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.984 5.466 7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.002 3.723 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.452 4.581 7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.265 7.093 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.735 6.225 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.822 6.561 3.997 1.00 0.00 H new ATOM 581 N ALA A 39 -4.973 2.830 2.625 1.00 0.00 N ATOM 582 CA ALA A 39 -6.202 3.038 1.872 1.00 0.00 C ATOM 583 C ALA A 39 -7.206 1.905 2.088 1.00 0.00 C ATOM 584 O ALA A 39 -8.378 2.168 2.349 1.00 0.00 O ATOM 585 CB ALA A 39 -5.868 3.189 0.386 1.00 0.00 C ATOM 0 H ALA A 39 -4.140 2.882 2.039 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.674 3.951 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.787 3.345 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.207 4.044 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.372 2.286 0.031 1.00 0.00 H new ATOM 591 N ASN A 40 -6.743 0.653 1.990 1.00 0.00 N ATOM 592 CA ASN A 40 -7.590 -0.522 2.163 1.00 0.00 C ATOM 593 C ASN A 40 -7.645 -0.967 3.628 1.00 0.00 C ATOM 594 O ASN A 40 -8.442 -1.845 3.956 1.00 0.00 O ATOM 595 CB ASN A 40 -7.090 -1.662 1.267 1.00 0.00 C ATOM 596 CG ASN A 40 -7.135 -1.296 -0.214 1.00 0.00 C ATOM 597 OD1 ASN A 40 -8.138 -1.531 -0.883 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.047 -0.724 -0.735 1.00 0.00 N ATOM 0 H ASN A 40 -5.768 0.431 1.788 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.605 -0.256 1.868 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.068 -1.918 1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.699 -2.550 1.438 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.029 -0.466 -1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.233 -0.545 -0.146 1.00 0.00 H new ATOM 605 N SER A 41 -6.822 -0.369 4.504 1.00 0.00 N ATOM 606 CA SER A 41 -6.769 -0.651 5.935 1.00 0.00 C ATOM 607 C SER A 41 -6.622 -2.151 6.191 1.00 0.00 C ATOM 608 O SER A 41 -7.441 -2.759 6.879 1.00 0.00 O ATOM 609 CB SER A 41 -7.983 -0.036 6.643 1.00 0.00 C ATOM 610 OG SER A 41 -7.941 1.371 6.524 1.00 0.00 O ATOM 0 H SER A 41 -6.155 0.348 4.219 1.00 0.00 H new ATOM 0 HA SER A 41 -5.882 -0.182 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.904 -0.420 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.986 -0.322 7.695 1.00 0.00 H new ATOM 0 HG SER A 41 -7.216 1.626 5.916 1.00 0.00 H new ATOM 616 N ASN A 42 -5.573 -2.748 5.614 1.00 0.00 N ATOM 617 CA ASN A 42 -5.332 -4.178 5.699 1.00 0.00 C ATOM 618 C ASN A 42 -3.850 -4.501 5.514 1.00 0.00 C ATOM 619 O ASN A 42 -3.077 -3.670 5.039 1.00 0.00 O ATOM 620 CB ASN A 42 -6.232 -4.942 4.710 1.00 0.00 C ATOM 621 CG ASN A 42 -5.982 -4.628 3.235 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.025 -3.950 2.875 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.857 -5.134 2.365 1.00 0.00 N ATOM 0 H ASN A 42 -4.869 -2.244 5.075 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.600 -4.515 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.093 -6.012 4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.273 -4.719 4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.741 -4.961 1.366 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.642 -5.694 2.698 1.00 0.00 H new ATOM 630 N GLY A 43 -3.483 -5.725 5.902 1.00 0.00 N ATOM 631 CA GLY A 43 -2.172 -6.318 5.751 1.00 0.00 C ATOM 632 C GLY A 43 -2.318 -7.569 4.897 1.00 0.00 C ATOM 633 O GLY A 43 -2.931 -8.542 5.335 1.00 0.00 O ATOM 0 H GLY A 43 -4.141 -6.359 6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.487 -5.613 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.752 -6.568 6.725 1.00 0.00 H new ATOM 637 N THR A 44 -1.745 -7.543 3.691 1.00 0.00 N ATOM 638 CA THR A 44 -1.766 -8.656 2.756 1.00 0.00 C ATOM 639 C THR A 44 -0.425 -9.363 2.916 1.00 0.00 C ATOM 640 O THR A 44 0.574 -8.958 2.323 1.00 0.00 O ATOM 641 CB THR A 44 -1.997 -8.132 1.331 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.233 -7.448 1.291 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.030 -9.279 0.313 1.00 0.00 C ATOM 0 H THR A 44 -1.245 -6.728 3.336 1.00 0.00 H new ATOM 0 HA THR A 44 -2.577 -9.357 2.952 1.00 0.00 H new ATOM 0 HB THR A 44 -1.175 -7.465 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.389 -7.108 0.385 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.195 -8.875 -0.686 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.080 -9.813 0.336 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.838 -9.966 0.565 1.00 0.00 H new ATOM 651 N VAL A 45 -0.419 -10.401 3.759 1.00 0.00 N ATOM 652 CA VAL A 45 0.780 -11.092 4.200 1.00 0.00 C ATOM 653 C VAL A 45 0.927 -12.388 3.410 1.00 0.00 C ATOM 654 O VAL A 45 0.016 -13.212 3.427 1.00 0.00 O ATOM 655 CB VAL A 45 0.699 -11.391 5.711 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.090 -11.791 6.220 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.181 -10.194 6.519 1.00 0.00 C ATOM 0 H VAL A 45 -1.274 -10.788 4.159 1.00 0.00 H new ATOM 0 HA VAL A 45 1.650 -10.460 4.024 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.011 -12.206 5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.039 -12.004 7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.430 -12.680 5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.790 -10.974 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.143 -10.457 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.850 -9.345 6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.819 -9.928 6.175 1.00 0.00 H new ATOM 667 N GLU A 46 2.071 -12.565 2.740 1.00 0.00 N ATOM 668 CA GLU A 46 2.473 -13.814 2.110 1.00 0.00 C ATOM 669 C GLU A 46 3.363 -14.539 3.121 1.00 0.00 C ATOM 670 O GLU A 46 4.286 -13.932 3.662 1.00 0.00 O ATOM 671 CB GLU A 46 3.214 -13.507 0.799 1.00 0.00 C ATOM 672 CG GLU A 46 2.993 -14.568 -0.287 1.00 0.00 C ATOM 673 CD GLU A 46 3.408 -15.976 0.131 1.00 0.00 C ATOM 674 OE1 GLU A 46 4.540 -16.116 0.645 1.00 0.00 O ATOM 675 OE2 GLU A 46 2.585 -16.892 -0.081 1.00 0.00 O ATOM 0 H GLU A 46 2.757 -11.819 2.621 1.00 0.00 H new ATOM 0 HA GLU A 46 1.623 -14.444 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.886 -12.538 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.281 -13.424 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.939 -14.577 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.553 -14.284 -1.178 1.00 0.00 H new ATOM 682 N TYR A 47 3.072 -15.813 3.407 1.00 0.00 N ATOM 683 CA TYR A 47 3.700 -16.548 4.496 1.00 0.00 C ATOM 684 C TYR A 47 3.785 -18.045 4.193 1.00 0.00 C ATOM 685 O TYR A 47 3.246 -18.511 3.193 1.00 0.00 O ATOM 686 CB TYR A 47 2.916 -16.292 5.792 1.00 0.00 C ATOM 687 CG TYR A 47 1.537 -16.932 5.823 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.475 -16.361 5.100 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.342 -18.156 6.490 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.756 -17.032 5.003 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.098 -18.804 6.428 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.943 -18.258 5.658 1.00 0.00 C ATOM 693 OH TYR A 47 -2.131 -18.917 5.540 1.00 0.00 O ATOM 0 H TYR A 47 2.390 -16.361 2.883 1.00 0.00 H new ATOM 0 HA TYR A 47 4.724 -16.193 4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.497 -16.666 6.635 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.808 -15.216 5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.606 -15.404 4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.152 -18.598 7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.560 -16.603 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.059 -19.723 6.973 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.095 -19.750 6.054 1.00 0.00 H new ATOM 703 N ASP A 48 4.456 -18.787 5.083 1.00 0.00 N ATOM 704 CA ASP A 48 4.578 -20.239 5.055 1.00 0.00 C ATOM 705 C ASP A 48 3.736 -20.838 6.193 1.00 0.00 C ATOM 706 O ASP A 48 4.121 -20.686 7.352 1.00 0.00 O ATOM 707 CB ASP A 48 6.061 -20.613 5.200 1.00 0.00 C ATOM 708 CG ASP A 48 6.334 -22.120 5.180 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.361 -22.903 5.115 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.533 -22.467 5.232 1.00 0.00 O ATOM 0 H ASP A 48 4.947 -18.369 5.873 1.00 0.00 H new ATOM 0 HA ASP A 48 4.209 -20.640 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.623 -20.143 4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.439 -20.199 6.135 1.00 0.00 H new ATOM 715 N PRO A 49 2.619 -21.528 5.886 1.00 0.00 N ATOM 716 CA PRO A 49 1.794 -22.271 6.836 1.00 0.00 C ATOM 717 C PRO A 49 2.573 -23.100 7.858 1.00 0.00 C ATOM 718 O PRO A 49 2.196 -23.148 9.027 1.00 0.00 O ATOM 719 CB PRO A 49 0.895 -23.166 5.982 1.00 0.00 C ATOM 720 CG PRO A 49 0.688 -22.316 4.734 1.00 0.00 C ATOM 721 CD PRO A 49 2.055 -21.658 4.552 1.00 0.00 C ATOM 0 HA PRO A 49 1.239 -21.564 7.453 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.370 -24.119 5.751 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.047 -23.392 6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.411 -22.922 3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.102 -21.578 4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.698 -22.265 3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.958 -20.684 4.073 1.00 0.00 H new ATOM 729 N LEU A 50 3.653 -23.756 7.416 1.00 0.00 N ATOM 730 CA LEU A 50 4.462 -24.636 8.248 1.00 0.00 C ATOM 731 C LEU A 50 5.129 -23.875 9.400 1.00 0.00 C ATOM 732 O LEU A 50 5.341 -24.451 10.465 1.00 0.00 O ATOM 733 CB LEU A 50 5.528 -25.333 7.387 1.00 0.00 C ATOM 734 CG LEU A 50 4.968 -26.097 6.173 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.134 -26.661 5.353 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.038 -27.241 6.592 1.00 0.00 C ATOM 0 H LEU A 50 3.989 -23.685 6.456 1.00 0.00 H new ATOM 0 HA LEU A 50 3.801 -25.383 8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.238 -24.585 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.085 -26.030 8.014 1.00 0.00 H new ATOM 0 HG LEU A 50 4.382 -25.397 5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.744 -27.203 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.767 -25.843 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.721 -27.339 5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.667 -27.752 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.588 -27.948 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.197 -26.838 7.157 1.00 0.00 H new ATOM 748 N LEU A 51 5.466 -22.597 9.182 1.00 0.00 N ATOM 749 CA LEU A 51 6.229 -21.776 10.113 1.00 0.00 C ATOM 750 C LEU A 51 5.333 -20.803 10.887 1.00 0.00 C ATOM 751 O LEU A 51 5.614 -20.525 12.052 1.00 0.00 O ATOM 752 CB LEU A 51 7.319 -21.026 9.337 1.00 0.00 C ATOM 753 CG LEU A 51 8.348 -21.956 8.663 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.310 -21.120 7.810 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.162 -22.758 9.687 1.00 0.00 C ATOM 0 H LEU A 51 5.206 -22.099 8.330 1.00 0.00 H new ATOM 0 HA LEU A 51 6.691 -22.427 10.856 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.849 -20.405 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.841 -20.354 10.018 1.00 0.00 H new ATOM 0 HG LEU A 51 7.794 -22.662 8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.038 -21.777 7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.747 -20.586 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.830 -20.403 8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.873 -23.398 9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.702 -22.072 10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.490 -23.374 10.284 1.00 0.00 H new ATOM 767 N THR A 52 4.270 -20.280 10.260 1.00 0.00 N ATOM 768 CA THR A 52 3.345 -19.340 10.887 1.00 0.00 C ATOM 769 C THR A 52 1.947 -19.513 10.289 1.00 0.00 C ATOM 770 O THR A 52 1.816 -20.036 9.186 1.00 0.00 O ATOM 771 CB THR A 52 3.882 -17.906 10.741 1.00 0.00 C ATOM 772 OG1 THR A 52 3.160 -17.023 11.572 1.00 0.00 O ATOM 773 CG2 THR A 52 3.812 -17.394 9.299 1.00 0.00 C ATOM 0 H THR A 52 4.030 -20.503 9.294 1.00 0.00 H new ATOM 0 HA THR A 52 3.264 -19.545 11.955 1.00 0.00 H new ATOM 0 HB THR A 52 4.930 -17.938 11.039 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.514 -16.115 11.470 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.204 -16.378 9.254 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.407 -18.041 8.654 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.776 -17.399 8.961 1.00 0.00 H new ATOM 781 N SER A 53 0.909 -19.081 11.018 1.00 0.00 N ATOM 782 CA SER A 53 -0.491 -19.198 10.617 1.00 0.00 C ATOM 783 C SER A 53 -1.150 -17.813 10.596 1.00 0.00 C ATOM 784 O SER A 53 -0.644 -16.902 11.249 1.00 0.00 O ATOM 785 CB SER A 53 -1.214 -20.127 11.601 1.00 0.00 C ATOM 786 OG SER A 53 -1.379 -19.500 12.856 1.00 0.00 O ATOM 0 H SER A 53 1.028 -18.630 11.925 1.00 0.00 H new ATOM 0 HA SER A 53 -0.555 -19.618 9.613 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.188 -20.404 11.197 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.645 -21.049 11.722 1.00 0.00 H new ATOM 0 HG SER A 53 -1.843 -20.109 13.467 1.00 0.00 H new ATOM 792 N PRO A 54 -2.282 -17.633 9.889 1.00 0.00 N ATOM 793 CA PRO A 54 -3.080 -16.413 9.942 1.00 0.00 C ATOM 794 C PRO A 54 -3.363 -15.950 11.373 1.00 0.00 C ATOM 795 O PRO A 54 -3.325 -14.755 11.651 1.00 0.00 O ATOM 796 CB PRO A 54 -4.378 -16.739 9.197 1.00 0.00 C ATOM 797 CG PRO A 54 -3.929 -17.793 8.191 1.00 0.00 C ATOM 798 CD PRO A 54 -2.907 -18.594 8.994 1.00 0.00 C ATOM 0 HA PRO A 54 -2.541 -15.584 9.484 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.146 -17.122 9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.794 -15.860 8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.759 -18.414 7.855 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.486 -17.344 7.302 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.388 -19.397 9.553 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.170 -19.059 8.339 1.00 0.00 H new ATOM 806 N GLU A 55 -3.637 -16.900 12.273 1.00 0.00 N ATOM 807 CA GLU A 55 -3.926 -16.638 13.674 1.00 0.00 C ATOM 808 C GLU A 55 -2.694 -16.061 14.374 1.00 0.00 C ATOM 809 O GLU A 55 -2.813 -15.089 15.115 1.00 0.00 O ATOM 810 CB GLU A 55 -4.392 -17.925 14.373 1.00 0.00 C ATOM 811 CG GLU A 55 -5.749 -18.446 13.871 1.00 0.00 C ATOM 812 CD GLU A 55 -5.727 -18.970 12.434 1.00 0.00 C ATOM 813 OE1 GLU A 55 -4.727 -19.630 12.077 1.00 0.00 O ATOM 814 OE2 GLU A 55 -6.712 -18.698 11.716 1.00 0.00 O ATOM 0 H GLU A 55 -3.663 -17.892 12.036 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.729 -15.904 13.732 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.639 -18.700 14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.458 -17.742 15.445 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.086 -19.245 14.532 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.483 -17.643 13.942 1.00 0.00 H new ATOM 821 N THR A 56 -1.513 -16.649 14.137 1.00 0.00 N ATOM 822 CA THR A 56 -0.253 -16.161 14.686 1.00 0.00 C ATOM 823 C THR A 56 0.019 -14.730 14.213 1.00 0.00 C ATOM 824 O THR A 56 0.374 -13.869 15.016 1.00 0.00 O ATOM 825 CB THR A 56 0.896 -17.095 14.276 1.00 0.00 C ATOM 826 OG1 THR A 56 0.566 -18.437 14.566 1.00 0.00 O ATOM 827 CG2 THR A 56 2.199 -16.741 15.000 1.00 0.00 C ATOM 0 H THR A 56 -1.411 -17.481 13.555 1.00 0.00 H new ATOM 0 HA THR A 56 -0.323 -16.152 15.774 1.00 0.00 H new ATOM 0 HB THR A 56 1.045 -16.969 13.204 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.045 -18.779 13.880 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.988 -17.423 14.684 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.485 -15.718 14.755 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.053 -16.829 16.077 1.00 0.00 H new ATOM 835 N LEU A 57 -0.154 -14.483 12.910 1.00 0.00 N ATOM 836 CA LEU A 57 0.070 -13.183 12.295 1.00 0.00 C ATOM 837 C LEU A 57 -0.886 -12.141 12.880 1.00 0.00 C ATOM 838 O LEU A 57 -0.445 -11.067 13.277 1.00 0.00 O ATOM 839 CB LEU A 57 -0.071 -13.298 10.770 1.00 0.00 C ATOM 840 CG LEU A 57 0.983 -14.224 10.137 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.602 -14.519 8.682 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.389 -13.620 10.189 1.00 0.00 C ATOM 0 H LEU A 57 -0.459 -15.197 12.248 1.00 0.00 H new ATOM 0 HA LEU A 57 1.084 -12.848 12.514 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.066 -13.672 10.530 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.012 -12.306 10.327 1.00 0.00 H new ATOM 0 HG LEU A 57 1.000 -15.147 10.716 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.350 -15.175 8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.372 -15.007 8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.557 -13.585 8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.098 -14.309 9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.399 -12.675 9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.672 -13.445 11.227 1.00 0.00 H new ATOM 854 N ARG A 58 -2.182 -12.463 12.963 1.00 0.00 N ATOM 855 CA ARG A 58 -3.177 -11.640 13.640 1.00 0.00 C ATOM 856 C ARG A 58 -2.739 -11.344 15.077 1.00 0.00 C ATOM 857 O ARG A 58 -2.868 -10.212 15.535 1.00 0.00 O ATOM 858 CB ARG A 58 -4.540 -12.341 13.577 1.00 0.00 C ATOM 859 CG ARG A 58 -5.617 -11.564 14.344 1.00 0.00 C ATOM 860 CD ARG A 58 -7.025 -12.071 14.030 1.00 0.00 C ATOM 861 NE ARG A 58 -7.174 -13.496 14.346 1.00 0.00 N ATOM 862 CZ ARG A 58 -8.335 -14.169 14.303 1.00 0.00 C ATOM 863 NH1 ARG A 58 -9.477 -13.550 13.972 1.00 0.00 N ATOM 864 NH2 ARG A 58 -8.351 -15.476 14.595 1.00 0.00 N ATOM 0 H ARG A 58 -2.569 -13.314 12.555 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.270 -10.678 13.137 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.844 -12.452 12.536 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.452 -13.345 13.992 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.432 -11.649 15.415 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.549 -10.506 14.092 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.754 -11.494 14.599 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.243 -11.908 12.975 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.337 -14.012 14.617 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.471 -12.555 13.749 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.352 -14.074 13.943 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.485 -15.953 14.848 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.229 -15.995 14.565 1.00 0.00 H new ATOM 878 N GLY A 59 -2.201 -12.354 15.772 1.00 0.00 N ATOM 879 CA GLY A 59 -1.608 -12.216 17.094 1.00 0.00 C ATOM 880 C GLY A 59 -0.497 -11.162 17.122 1.00 0.00 C ATOM 881 O GLY A 59 -0.441 -10.360 18.051 1.00 0.00 O ATOM 0 H GLY A 59 -2.169 -13.309 15.416 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.382 -11.944 17.811 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.203 -13.177 17.411 1.00 0.00 H new ATOM 885 N ALA A 60 0.385 -11.155 16.114 1.00 0.00 N ATOM 886 CA ALA A 60 1.471 -10.187 16.012 1.00 0.00 C ATOM 887 C ALA A 60 0.936 -8.761 15.846 1.00 0.00 C ATOM 888 O ALA A 60 1.419 -7.845 16.506 1.00 0.00 O ATOM 889 CB ALA A 60 2.422 -10.565 14.873 1.00 0.00 C ATOM 0 H ALA A 60 0.360 -11.826 15.346 1.00 0.00 H new ATOM 0 HA ALA A 60 2.035 -10.211 16.945 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.226 -9.832 14.812 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.844 -11.551 15.064 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.873 -10.581 13.931 1.00 0.00 H new ATOM 895 N ILE A 61 -0.066 -8.565 14.979 1.00 0.00 N ATOM 896 CA ILE A 61 -0.710 -7.267 14.792 1.00 0.00 C ATOM 897 C ILE A 61 -1.402 -6.817 16.086 1.00 0.00 C ATOM 898 O ILE A 61 -1.325 -5.646 16.454 1.00 0.00 O ATOM 899 CB ILE A 61 -1.709 -7.324 13.623 1.00 0.00 C ATOM 900 CG1 ILE A 61 -1.109 -7.807 12.291 1.00 0.00 C ATOM 901 CG2 ILE A 61 -2.339 -5.941 13.436 1.00 0.00 C ATOM 902 CD1 ILE A 61 0.008 -6.914 11.755 1.00 0.00 C ATOM 0 H ILE A 61 -0.450 -9.304 14.390 1.00 0.00 H new ATOM 0 HA ILE A 61 0.056 -6.532 14.546 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.456 -8.070 13.895 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.721 -8.817 12.424 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.903 -7.866 11.546 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.048 -5.973 12.609 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.859 -5.652 14.349 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.559 -5.212 13.216 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.379 -7.321 10.814 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.378 -5.908 11.588 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.822 -6.875 12.479 1.00 0.00 H new ATOM 914 N GLU A 62 -2.077 -7.743 16.774 1.00 0.00 N ATOM 915 CA GLU A 62 -2.740 -7.486 18.042 1.00 0.00 C ATOM 916 C GLU A 62 -1.721 -7.052 19.101 1.00 0.00 C ATOM 917 O GLU A 62 -1.983 -6.123 19.859 1.00 0.00 O ATOM 918 CB GLU A 62 -3.520 -8.740 18.460 1.00 0.00 C ATOM 919 CG GLU A 62 -4.391 -8.502 19.697 1.00 0.00 C ATOM 920 CD GLU A 62 -5.216 -9.745 20.017 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.651 -10.650 20.669 1.00 0.00 O ATOM 922 OE2 GLU A 62 -6.394 -9.772 19.601 1.00 0.00 O ATOM 0 H GLU A 62 -2.176 -8.706 16.454 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.449 -6.664 17.937 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.151 -9.065 17.632 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.819 -9.549 18.663 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.761 -8.247 20.549 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.053 -7.653 19.525 1.00 0.00 H new ATOM 929 N ASP A 63 -0.556 -7.713 19.137 1.00 0.00 N ATOM 930 CA ASP A 63 0.548 -7.372 20.026 1.00 0.00 C ATOM 931 C ASP A 63 1.078 -5.967 19.724 1.00 0.00 C ATOM 932 O ASP A 63 1.288 -5.184 20.648 1.00 0.00 O ATOM 933 CB ASP A 63 1.649 -8.432 19.910 1.00 0.00 C ATOM 934 CG ASP A 63 2.825 -8.123 20.834 1.00 0.00 C ATOM 935 OD1 ASP A 63 2.697 -8.429 22.039 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.829 -7.585 20.318 1.00 0.00 O ATOM 0 H ASP A 63 -0.357 -8.513 18.536 1.00 0.00 H new ATOM 0 HA ASP A 63 0.190 -7.362 21.055 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.239 -9.412 20.156 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.999 -8.483 18.879 1.00 0.00 H new ATOM 941 N MET A 64 1.281 -5.644 18.438 1.00 0.00 N ATOM 942 CA MET A 64 1.660 -4.304 17.998 1.00 0.00 C ATOM 943 C MET A 64 0.610 -3.267 18.421 1.00 0.00 C ATOM 944 O MET A 64 0.971 -2.139 18.753 1.00 0.00 O ATOM 945 CB MET A 64 1.886 -4.282 16.479 1.00 0.00 C ATOM 946 CG MET A 64 3.190 -4.973 16.061 1.00 0.00 C ATOM 947 SD MET A 64 4.722 -4.136 16.560 1.00 0.00 S ATOM 948 CE MET A 64 4.732 -2.732 15.413 1.00 0.00 C ATOM 0 H MET A 64 1.185 -6.313 17.674 1.00 0.00 H new ATOM 0 HA MET A 64 2.598 -4.036 18.484 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.047 -4.771 15.984 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.901 -3.248 16.134 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.196 -5.980 16.478 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.192 -5.078 14.976 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.650 -2.160 15.546 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.678 -3.099 14.388 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.873 -2.092 15.614 1.00 0.00 H new ATOM 958 N GLY A 65 -0.673 -3.652 18.428 1.00 0.00 N ATOM 959 CA GLY A 65 -1.759 -2.869 18.998 1.00 0.00 C ATOM 960 C GLY A 65 -2.643 -2.263 17.916 1.00 0.00 C ATOM 961 O GLY A 65 -2.791 -1.043 17.858 1.00 0.00 O ATOM 0 H GLY A 65 -0.984 -4.537 18.027 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.362 -3.502 19.649 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.347 -2.074 19.620 1.00 0.00 H new ATOM 965 N PHE A 66 -3.237 -3.117 17.071 1.00 0.00 N ATOM 966 CA PHE A 66 -4.187 -2.714 16.042 1.00 0.00 C ATOM 967 C PHE A 66 -5.323 -3.732 15.957 1.00 0.00 C ATOM 968 O PHE A 66 -5.148 -4.895 16.322 1.00 0.00 O ATOM 969 CB PHE A 66 -3.475 -2.559 14.694 1.00 0.00 C ATOM 970 CG PHE A 66 -2.337 -1.563 14.715 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.629 -0.190 14.632 1.00 0.00 C ATOM 972 CD2 PHE A 66 -1.019 -1.988 14.975 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.608 0.759 14.804 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.001 -1.033 15.145 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.293 0.338 15.058 1.00 0.00 C ATOM 0 H PHE A 66 -3.064 -4.122 17.089 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.615 -1.747 16.305 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.090 -3.530 14.384 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.202 -2.250 13.943 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.640 0.135 14.436 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.792 -3.042 15.044 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.835 1.813 14.741 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.013 -1.355 15.343 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.492 1.068 15.186 1.00 0.00 H new ATOM 985 N ASP A 67 -6.492 -3.283 15.483 1.00 0.00 N ATOM 986 CA ASP A 67 -7.710 -4.077 15.447 1.00 0.00 C ATOM 987 C ASP A 67 -7.683 -5.000 14.230 1.00 0.00 C ATOM 988 O ASP A 67 -8.160 -4.634 13.156 1.00 0.00 O ATOM 989 CB ASP A 67 -8.929 -3.146 15.425 1.00 0.00 C ATOM 990 CG ASP A 67 -8.980 -2.252 16.661 1.00 0.00 C ATOM 991 OD1 ASP A 67 -9.478 -2.740 17.698 1.00 0.00 O ATOM 992 OD2 ASP A 67 -8.518 -1.096 16.545 1.00 0.00 O ATOM 0 H ASP A 67 -6.612 -2.341 15.109 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.779 -4.700 16.339 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.897 -2.526 14.529 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.840 -3.741 15.369 1.00 0.00 H new ATOM 997 N ALA A 68 -7.112 -6.196 14.414 1.00 0.00 N ATOM 998 CA ALA A 68 -6.857 -7.168 13.363 1.00 0.00 C ATOM 999 C ALA A 68 -7.935 -8.249 13.346 1.00 0.00 C ATOM 1000 O ALA A 68 -8.233 -8.837 14.385 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.483 -7.787 13.602 1.00 0.00 C ATOM 0 H ALA A 68 -6.807 -6.518 15.333 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.878 -6.671 12.393 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.274 -8.520 12.823 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.723 -7.006 13.579 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.469 -8.278 14.575 1.00 0.00 H new ATOM 1007 N THR A 69 -8.513 -8.511 12.167 1.00 0.00 N ATOM 1008 CA THR A 69 -9.524 -9.540 11.951 1.00 0.00 C ATOM 1009 C THR A 69 -9.307 -10.152 10.567 1.00 0.00 C ATOM 1010 O THR A 69 -9.212 -9.423 9.583 1.00 0.00 O ATOM 1011 CB THR A 69 -10.928 -8.926 12.079 1.00 0.00 C ATOM 1012 OG1 THR A 69 -11.094 -8.358 13.362 1.00 0.00 O ATOM 1013 CG2 THR A 69 -12.026 -9.976 11.880 1.00 0.00 C ATOM 0 H THR A 69 -8.280 -7.996 11.318 1.00 0.00 H new ATOM 0 HA THR A 69 -9.437 -10.325 12.702 1.00 0.00 H new ATOM 0 HB THR A 69 -11.016 -8.165 11.304 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.990 -7.968 13.434 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.003 -9.503 11.978 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.933 -10.416 10.887 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.923 -10.757 12.633 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.231 -11.487 10.483 1.00 0.00 N ATOM 1022 CA LEU A 70 -8.988 -12.204 9.234 1.00 0.00 C ATOM 1023 C LEU A 70 -10.116 -11.957 8.227 1.00 0.00 C ATOM 1024 O LEU A 70 -11.244 -11.655 8.616 1.00 0.00 O ATOM 1025 CB LEU A 70 -8.869 -13.714 9.502 1.00 0.00 C ATOM 1026 CG LEU A 70 -7.839 -14.101 10.576 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -7.808 -15.624 10.733 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.434 -13.595 10.242 1.00 0.00 C ATOM 0 H LEU A 70 -9.338 -12.101 11.290 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.054 -11.831 8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.846 -14.093 9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.606 -14.214 8.570 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.147 -13.629 11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.077 -15.896 11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.794 -15.979 11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.530 -16.082 9.784 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.743 -13.893 11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.109 -14.023 9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.448 -12.508 10.164 1.00 0.00 H new