USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 770 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 MET CE :methyl -153:sc= -1.54 (180deg=-2.52!) USER MOD Single : A 1 MET N :NH3+ -178:sc=-0.000937 (180deg=-0.00594) USER MOD Single : A 2 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.24) USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.0395 (180deg=-0.257) USER MOD Single : A 7 THR OG1 : rot 170:sc= -0.252 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= -0.0148 (180deg=-0.244) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0824 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 25 ASN : amide:sc= -0.514 K(o=-0.51,f=-2.4!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.285) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.146 F(o=-1.9!,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -6.19! C(o=-12!,f=-6.2!) USER MOD Single : A 41 GLN : amide:sc= -8.54! C(o=-8.5!,f=-14!) USER MOD Single : B 1 MET CE :methyl -169:sc= -0.281 (180deg=-0.426) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc=-0.00925 X(o=-0.0093,f=0) USER MOD Single : B 6 LYS NZ :NH3+ -166:sc= -0.0332 (180deg=-0.248) USER MOD Single : B 7 THR OG1 : rot 180:sc= -0.101 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 166:sc= -0.0327 (180deg=-0.298) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.018 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.18 USER MOD Single : B 25 ASN : amide:sc= -0.53 K(o=-0.53,f=-2.5!) USER MOD Single : B 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.052) USER MOD Single : B 29 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.922) USER MOD Single : B 31 GLN :FLIP amide:sc= -0.0742 F(o=-0.75,f=-0.074) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN :FLIP amide:sc= -5.91! C(o=-13!,f=-5.9!) USER MOD Single : B 41 GLN : amide:sc= -9.15! C(o=-9.1!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 1 2.384 -3.295 -12.386 1.00 0.00 N ATOM 22 CA MET A 1 1.853 -2.857 -11.103 1.00 0.00 C ATOM 23 C MET A 1 2.861 -1.981 -10.358 1.00 0.00 C ATOM 24 O MET A 1 3.136 -2.194 -9.176 1.00 0.00 O ATOM 25 CB MET A 1 1.466 -4.072 -10.253 1.00 0.00 C ATOM 26 CG MET A 1 0.825 -3.715 -8.921 1.00 0.00 C ATOM 27 SD MET A 1 -0.659 -2.711 -9.107 1.00 0.00 S ATOM 28 CE MET A 1 -1.038 -2.364 -7.392 1.00 0.00 C ATOM 0 H1 MET A 1 1.666 -3.859 -12.884 1.00 0.00 H new ATOM 0 H2 MET A 1 2.632 -2.465 -12.961 1.00 0.00 H new ATOM 0 H3 MET A 1 3.233 -3.875 -12.231 1.00 0.00 H new ATOM 0 HA MET A 1 0.963 -2.256 -11.288 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.776 -4.695 -10.821 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.357 -4.671 -10.067 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.574 -4.631 -8.387 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.548 -3.177 -8.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.109 -2.192 -7.284 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.742 -3.213 -6.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.494 -1.475 -7.072 1.00 0.00 H new ATOM 38 N GLN A 2 3.415 -0.991 -11.053 1.00 0.00 N ATOM 39 CA GLN A 2 4.386 -0.094 -10.443 1.00 0.00 C ATOM 40 C GLN A 2 3.755 0.672 -9.282 1.00 0.00 C ATOM 41 O GLN A 2 2.887 1.525 -9.476 1.00 0.00 O ATOM 42 CB GLN A 2 4.941 0.883 -11.485 1.00 0.00 C ATOM 43 CG GLN A 2 3.889 1.799 -12.090 1.00 0.00 C ATOM 44 CD GLN A 2 4.448 2.703 -13.172 1.00 0.00 C ATOM 45 OE1 GLN A 2 4.995 2.233 -14.169 1.00 0.00 O ATOM 46 NE2 GLN A 2 4.311 4.010 -12.978 1.00 0.00 N ATOM 0 H GLN A 2 3.209 -0.792 -12.032 1.00 0.00 H new ATOM 0 HA GLN A 2 5.209 -0.694 -10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.716 1.493 -11.021 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.418 0.315 -12.284 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.085 1.194 -12.508 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.451 2.411 -11.302 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.850 4.355 -12.136 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.666 4.668 -13.671 1.00 0.00 H new ATOM 55 N ILE A 3 4.196 0.356 -8.072 1.00 0.00 N ATOM 56 CA ILE A 3 3.687 1.001 -6.873 1.00 0.00 C ATOM 57 C ILE A 3 4.421 2.306 -6.599 1.00 0.00 C ATOM 58 O ILE A 3 5.634 2.399 -6.789 1.00 0.00 O ATOM 59 CB ILE A 3 3.819 0.081 -5.643 1.00 0.00 C ATOM 60 CG1 ILE A 3 5.278 -0.323 -5.422 1.00 0.00 C ATOM 61 CG2 ILE A 3 2.944 -1.153 -5.806 1.00 0.00 C ATOM 62 CD1 ILE A 3 5.485 -1.172 -4.185 1.00 0.00 C ATOM 0 H ILE A 3 4.911 -0.350 -7.896 1.00 0.00 H new ATOM 0 HA ILE A 3 2.632 1.211 -7.049 1.00 0.00 H new ATOM 0 HB ILE A 3 3.481 0.633 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.631 -0.873 -6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.889 0.576 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.049 -1.792 -4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.902 -0.849 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.253 -1.703 -6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.541 -1.423 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.162 -0.617 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.901 -2.088 -4.271 1.00 0.00 H new ATOM 74 N PHE A 4 3.683 3.310 -6.141 1.00 0.00 N ATOM 75 CA PHE A 4 4.274 4.603 -5.828 1.00 0.00 C ATOM 76 C PHE A 4 4.772 4.602 -4.388 1.00 0.00 C ATOM 77 O PHE A 4 4.046 4.211 -3.475 1.00 0.00 O ATOM 78 CB PHE A 4 3.257 5.730 -6.033 1.00 0.00 C ATOM 79 CG PHE A 4 2.837 5.928 -7.464 1.00 0.00 C ATOM 80 CD1 PHE A 4 2.349 4.869 -8.216 1.00 0.00 C ATOM 81 CD2 PHE A 4 2.930 7.178 -8.057 1.00 0.00 C ATOM 82 CE1 PHE A 4 1.963 5.055 -9.531 1.00 0.00 C ATOM 83 CE2 PHE A 4 2.546 7.368 -9.370 1.00 0.00 C ATOM 84 CZ PHE A 4 2.062 6.306 -10.108 1.00 0.00 C ATOM 0 H PHE A 4 2.678 3.253 -5.979 1.00 0.00 H new ATOM 0 HA PHE A 4 5.113 4.776 -6.502 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.372 5.520 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.683 6.661 -5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.270 3.889 -7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.307 8.013 -7.485 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.585 4.223 -10.106 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.624 8.347 -9.819 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.761 6.453 -11.135 1.00 0.00 H new ATOM 94 N VAL A 5 6.016 5.022 -4.190 1.00 0.00 N ATOM 95 CA VAL A 5 6.609 5.042 -2.858 1.00 0.00 C ATOM 96 C VAL A 5 7.553 6.226 -2.683 1.00 0.00 C ATOM 97 O VAL A 5 8.238 6.635 -3.620 1.00 0.00 O ATOM 98 CB VAL A 5 7.383 3.736 -2.572 1.00 0.00 C ATOM 99 CG1 VAL A 5 8.055 3.788 -1.207 1.00 0.00 C ATOM 100 CG2 VAL A 5 6.461 2.530 -2.669 1.00 0.00 C ATOM 0 H VAL A 5 6.632 5.352 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 5 5.786 5.137 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 5 8.161 3.635 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.593 2.857 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.755 4.623 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.298 3.922 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.027 1.622 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.656 2.628 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.038 2.475 -3.672 1.00 0.00 H new ATOM 110 N LYS A 6 7.585 6.771 -1.473 1.00 0.00 N ATOM 111 CA LYS A 6 8.451 7.900 -1.164 1.00 0.00 C ATOM 112 C LYS A 6 9.602 7.455 -0.269 1.00 0.00 C ATOM 113 O LYS A 6 9.388 6.796 0.749 1.00 0.00 O ATOM 114 CB LYS A 6 7.654 9.013 -0.481 1.00 0.00 C ATOM 115 CG LYS A 6 6.527 9.565 -1.340 1.00 0.00 C ATOM 116 CD LYS A 6 5.777 10.677 -0.627 1.00 0.00 C ATOM 117 CE LYS A 6 4.659 11.237 -1.491 1.00 0.00 C ATOM 118 NZ LYS A 6 5.172 11.795 -2.773 1.00 0.00 N ATOM 0 H LYS A 6 7.019 6.448 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 6 8.861 8.286 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.237 8.631 0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.331 9.825 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.934 9.943 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.835 8.762 -1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.362 10.297 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.471 11.476 -0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.935 10.450 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.132 12.017 -0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.438 12.385 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.016 12.374 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.422 11.016 -3.415 1.00 0.00 H new ATOM 132 N THR A 7 10.822 7.811 -0.656 1.00 0.00 N ATOM 133 CA THR A 7 12.003 7.439 0.112 1.00 0.00 C ATOM 134 C THR A 7 12.044 8.165 1.453 1.00 0.00 C ATOM 135 O THR A 7 11.013 8.600 1.968 1.00 0.00 O ATOM 136 CB THR A 7 13.297 7.747 -0.667 1.00 0.00 C ATOM 137 OG1 THR A 7 13.382 9.151 -0.942 1.00 0.00 O ATOM 138 CG2 THR A 7 13.343 6.968 -1.972 1.00 0.00 C ATOM 0 H THR A 7 11.018 8.356 -1.496 1.00 0.00 H new ATOM 0 HA THR A 7 11.939 6.365 0.289 1.00 0.00 H new ATOM 0 HB THR A 7 14.144 7.445 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.273 9.363 -1.290 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.265 7.202 -2.503 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.308 5.900 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.488 7.243 -2.590 1.00 0.00 H new ATOM 146 N LEU A 8 13.242 8.290 2.014 1.00 0.00 N ATOM 147 CA LEU A 8 13.427 8.961 3.295 1.00 0.00 C ATOM 148 C LEU A 8 12.966 10.413 3.222 1.00 0.00 C ATOM 149 O LEU A 8 12.168 10.863 4.045 1.00 0.00 O ATOM 150 CB LEU A 8 14.897 8.890 3.708 1.00 0.00 C ATOM 151 CG LEU A 8 15.409 7.479 4.006 1.00 0.00 C ATOM 152 CD1 LEU A 8 16.917 7.410 3.875 1.00 0.00 C ATOM 153 CD2 LEU A 8 14.978 7.038 5.392 1.00 0.00 C ATOM 0 H LEU A 8 14.103 7.933 1.599 1.00 0.00 H new ATOM 0 HA LEU A 8 12.819 8.453 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.505 9.322 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.042 9.509 4.593 1.00 0.00 H new ATOM 0 HG LEU A 8 14.973 6.800 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.255 6.397 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.207 7.680 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.376 8.104 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.351 6.032 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.383 7.725 6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.890 7.039 5.452 1.00 0.00 H new ATOM 165 N THR A 9 13.468 11.141 2.229 1.00 0.00 N ATOM 166 CA THR A 9 13.098 12.539 2.050 1.00 0.00 C ATOM 167 C THR A 9 11.707 12.662 1.432 1.00 0.00 C ATOM 168 O THR A 9 10.886 13.462 1.881 1.00 0.00 O ATOM 169 CB THR A 9 14.116 13.285 1.164 1.00 0.00 C ATOM 170 OG1 THR A 9 13.684 14.633 0.947 1.00 0.00 O ATOM 171 CG2 THR A 9 14.295 12.583 -0.175 1.00 0.00 C ATOM 0 H THR A 9 14.130 10.787 1.539 1.00 0.00 H new ATOM 0 HA THR A 9 13.094 12.996 3.040 1.00 0.00 H new ATOM 0 HB THR A 9 15.075 13.289 1.682 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.337 15.099 0.385 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.018 13.131 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.656 11.568 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.339 12.547 -0.698 1.00 0.00 H new ATOM 179 N GLY A 10 11.451 11.861 0.402 1.00 0.00 N ATOM 180 CA GLY A 10 10.161 11.886 -0.261 1.00 0.00 C ATOM 181 C GLY A 10 10.275 11.684 -1.759 1.00 0.00 C ATOM 182 O GLY A 10 9.488 12.235 -2.528 1.00 0.00 O ATOM 0 H GLY A 10 12.117 11.193 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.524 11.108 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.672 12.840 -0.062 1.00 0.00 H new ATOM 186 N LYS A 11 11.261 10.894 -2.173 1.00 0.00 N ATOM 187 CA LYS A 11 11.480 10.620 -3.589 1.00 0.00 C ATOM 188 C LYS A 11 10.538 9.529 -4.089 1.00 0.00 C ATOM 189 O LYS A 11 10.421 8.468 -3.477 1.00 0.00 O ATOM 190 CB LYS A 11 12.930 10.199 -3.831 1.00 0.00 C ATOM 191 CG LYS A 11 13.237 9.884 -5.286 1.00 0.00 C ATOM 192 CD LYS A 11 14.669 9.407 -5.463 1.00 0.00 C ATOM 193 CE LYS A 11 14.979 9.099 -6.920 1.00 0.00 C ATOM 194 NZ LYS A 11 14.810 10.297 -7.789 1.00 0.00 N ATOM 0 H LYS A 11 11.921 10.432 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 11 11.274 11.536 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.592 10.996 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.151 9.321 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.550 9.118 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.071 10.773 -5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.356 10.171 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.834 8.515 -4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.002 8.731 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.324 8.301 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.235 10.113 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.797 10.501 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.280 11.114 -7.349 1.00 0.00 H new ATOM 208 N THR A 12 9.879 9.791 -5.213 1.00 0.00 N ATOM 209 CA THR A 12 8.962 8.824 -5.800 1.00 0.00 C ATOM 210 C THR A 12 9.736 7.671 -6.431 1.00 0.00 C ATOM 211 O THR A 12 10.746 7.885 -7.101 1.00 0.00 O ATOM 212 CB THR A 12 8.059 9.475 -6.865 1.00 0.00 C ATOM 213 OG1 THR A 12 7.319 10.556 -6.286 1.00 0.00 O ATOM 214 CG2 THR A 12 7.092 8.457 -7.454 1.00 0.00 C ATOM 0 H THR A 12 9.963 10.664 -5.734 1.00 0.00 H new ATOM 0 HA THR A 12 8.331 8.445 -4.996 1.00 0.00 H new ATOM 0 HB THR A 12 8.696 9.854 -7.664 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.749 10.965 -6.970 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.466 8.941 -8.203 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.655 7.648 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.463 8.052 -6.662 1.00 0.00 H new ATOM 222 N ILE A 13 9.263 6.449 -6.208 1.00 0.00 N ATOM 223 CA ILE A 13 9.924 5.267 -6.751 1.00 0.00 C ATOM 224 C ILE A 13 8.919 4.244 -7.264 1.00 0.00 C ATOM 225 O ILE A 13 8.046 3.787 -6.527 1.00 0.00 O ATOM 226 CB ILE A 13 10.829 4.600 -5.692 1.00 0.00 C ATOM 227 CG1 ILE A 13 11.238 3.193 -6.130 1.00 0.00 C ATOM 228 CG2 ILE A 13 10.128 4.551 -4.349 1.00 0.00 C ATOM 229 CD1 ILE A 13 12.002 2.428 -5.068 1.00 0.00 C ATOM 0 H ILE A 13 8.428 6.251 -5.657 1.00 0.00 H new ATOM 0 HA ILE A 13 10.535 5.607 -7.587 1.00 0.00 H new ATOM 0 HB ILE A 13 11.732 5.202 -5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.344 2.631 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.852 3.265 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 13 10.780 4.078 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.892 5.564 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.207 3.975 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.260 1.439 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.914 2.969 -4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.382 2.325 -4.177 1.00 0.00 H new ATOM 241 N THR A 14 9.066 3.876 -8.532 1.00 0.00 N ATOM 242 CA THR A 14 8.192 2.890 -9.151 1.00 0.00 C ATOM 243 C THR A 14 8.703 1.481 -8.907 1.00 0.00 C ATOM 244 O THR A 14 9.910 1.239 -8.891 1.00 0.00 O ATOM 245 CB THR A 14 8.052 3.111 -10.667 1.00 0.00 C ATOM 246 OG1 THR A 14 9.141 3.902 -11.155 1.00 0.00 O ATOM 247 CG2 THR A 14 6.727 3.778 -10.998 1.00 0.00 C ATOM 0 H THR A 14 9.785 4.248 -9.152 1.00 0.00 H new ATOM 0 HA THR A 14 7.213 3.014 -8.688 1.00 0.00 H new ATOM 0 HB THR A 14 8.075 2.138 -11.157 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.042 4.034 -12.121 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.652 3.923 -12.076 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.907 3.145 -10.659 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.671 4.744 -10.497 1.00 0.00 H new ATOM 255 N LEU A 15 7.776 0.552 -8.726 1.00 0.00 N ATOM 256 CA LEU A 15 8.130 -0.837 -8.493 1.00 0.00 C ATOM 257 C LEU A 15 6.951 -1.738 -8.850 1.00 0.00 C ATOM 258 O LEU A 15 5.907 -1.704 -8.206 1.00 0.00 O ATOM 259 CB LEU A 15 8.553 -1.010 -7.024 1.00 0.00 C ATOM 260 CG LEU A 15 8.912 -2.433 -6.581 1.00 0.00 C ATOM 261 CD1 LEU A 15 9.616 -2.401 -5.236 1.00 0.00 C ATOM 262 CD2 LEU A 15 7.677 -3.306 -6.489 1.00 0.00 C ATOM 0 H LEU A 15 6.773 0.737 -8.736 1.00 0.00 H new ATOM 0 HA LEU A 15 8.969 -1.124 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.413 -0.367 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.743 -0.649 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 15 9.579 -2.858 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.866 -3.417 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.529 -1.812 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.959 -1.951 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.963 -4.309 -6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.984 -2.881 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.194 -3.357 -7.465 1.00 0.00 H new ATOM 274 N GLU A 16 7.130 -2.538 -9.895 1.00 0.00 N ATOM 275 CA GLU A 16 6.086 -3.440 -10.360 1.00 0.00 C ATOM 276 C GLU A 16 6.149 -4.789 -9.645 1.00 0.00 C ATOM 277 O GLU A 16 7.216 -5.390 -9.525 1.00 0.00 O ATOM 278 CB GLU A 16 6.209 -3.627 -11.873 1.00 0.00 C ATOM 279 CG GLU A 16 7.505 -4.302 -12.300 1.00 0.00 C ATOM 280 CD GLU A 16 7.652 -4.398 -13.806 1.00 0.00 C ATOM 281 OE1 GLU A 16 6.790 -3.854 -14.525 1.00 0.00 O ATOM 282 OE2 GLU A 16 8.636 -5.014 -14.267 1.00 0.00 O ATOM 0 H GLU A 16 7.993 -2.579 -10.438 1.00 0.00 H new ATOM 0 HA GLU A 16 5.119 -2.995 -10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.366 -4.221 -12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.139 -2.653 -12.358 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.350 -3.746 -11.892 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.545 -5.303 -11.871 1.00 0.00 H new ATOM 289 N VAL A 17 4.990 -5.253 -9.178 1.00 0.00 N ATOM 290 CA VAL A 17 4.884 -6.528 -8.471 1.00 0.00 C ATOM 291 C VAL A 17 3.448 -7.041 -8.489 1.00 0.00 C ATOM 292 O VAL A 17 2.498 -6.259 -8.461 1.00 0.00 O ATOM 293 CB VAL A 17 5.343 -6.417 -7.004 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.862 -6.425 -6.905 1.00 0.00 C ATOM 295 CG2 VAL A 17 4.768 -5.164 -6.368 1.00 0.00 C ATOM 0 H VAL A 17 4.103 -4.759 -9.278 1.00 0.00 H new ATOM 0 HA VAL A 17 5.539 -7.225 -8.994 1.00 0.00 H new ATOM 0 HB VAL A 17 4.970 -7.285 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.159 -6.346 -5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.249 -7.355 -7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.267 -5.581 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.099 -5.097 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.112 -4.287 -6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.679 -5.207 -6.399 1.00 0.00 H new ATOM 305 N GLU A 18 3.299 -8.360 -8.541 1.00 0.00 N ATOM 306 CA GLU A 18 1.981 -8.983 -8.567 1.00 0.00 C ATOM 307 C GLU A 18 1.147 -8.560 -7.360 1.00 0.00 C ATOM 308 O GLU A 18 1.657 -8.473 -6.243 1.00 0.00 O ATOM 309 CB GLU A 18 2.124 -10.504 -8.594 1.00 0.00 C ATOM 310 CG GLU A 18 2.995 -11.007 -9.733 1.00 0.00 C ATOM 311 CD GLU A 18 3.129 -12.517 -9.743 1.00 0.00 C ATOM 312 OE1 GLU A 18 3.630 -13.074 -8.744 1.00 0.00 O ATOM 313 OE2 GLU A 18 2.733 -13.142 -10.749 1.00 0.00 O ATOM 0 H GLU A 18 4.077 -9.020 -8.566 1.00 0.00 H new ATOM 0 HA GLU A 18 1.466 -8.651 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.548 -10.839 -7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.134 -10.953 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.572 -10.677 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.985 -10.559 -9.653 1.00 0.00 H new ATOM 320 N PRO A 19 -0.155 -8.294 -7.567 1.00 0.00 N ATOM 321 CA PRO A 19 -1.065 -7.885 -6.490 1.00 0.00 C ATOM 322 C PRO A 19 -1.203 -8.952 -5.412 1.00 0.00 C ATOM 323 O PRO A 19 -1.253 -8.645 -4.221 1.00 0.00 O ATOM 324 CB PRO A 19 -2.400 -7.684 -7.209 1.00 0.00 C ATOM 325 CG PRO A 19 -2.288 -8.487 -8.450 1.00 0.00 C ATOM 326 CD PRO A 19 -0.852 -8.376 -8.861 1.00 0.00 C ATOM 0 HA PRO A 19 -0.705 -6.997 -5.971 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.235 -8.021 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.574 -6.632 -7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.568 -9.526 -8.274 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.951 -8.106 -9.227 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.528 -9.240 -9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.673 -7.493 -9.475 1.00 0.00 H new ATOM 334 N SER A 20 -1.268 -10.207 -5.842 1.00 0.00 N ATOM 335 CA SER A 20 -1.406 -11.326 -4.920 1.00 0.00 C ATOM 336 C SER A 20 -0.185 -11.435 -4.015 1.00 0.00 C ATOM 337 O SER A 20 -0.243 -12.044 -2.947 1.00 0.00 O ATOM 338 CB SER A 20 -1.598 -12.631 -5.696 1.00 0.00 C ATOM 339 OG SER A 20 -2.773 -12.585 -6.487 1.00 0.00 O ATOM 0 H SER A 20 -1.227 -10.474 -6.825 1.00 0.00 H new ATOM 0 HA SER A 20 -2.283 -11.148 -4.298 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.733 -12.809 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.657 -13.467 -4.999 1.00 0.00 H new ATOM 0 HG SER A 20 -2.873 -13.429 -6.974 1.00 0.00 H new ATOM 345 N ASP A 21 0.921 -10.841 -4.452 1.00 0.00 N ATOM 346 CA ASP A 21 2.159 -10.870 -3.679 1.00 0.00 C ATOM 347 C ASP A 21 1.939 -10.275 -2.290 1.00 0.00 C ATOM 348 O ASP A 21 1.319 -9.221 -2.147 1.00 0.00 O ATOM 349 CB ASP A 21 3.263 -10.100 -4.411 1.00 0.00 C ATOM 350 CG ASP A 21 4.610 -10.210 -3.722 1.00 0.00 C ATOM 351 OD1 ASP A 21 4.703 -10.924 -2.702 1.00 0.00 O ATOM 352 OD2 ASP A 21 5.576 -9.584 -4.208 1.00 0.00 O ATOM 0 H ASP A 21 0.986 -10.335 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 21 2.468 -11.909 -3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.349 -10.477 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.981 -9.050 -4.483 1.00 0.00 H new ATOM 357 N THR A 22 2.448 -10.960 -1.270 1.00 0.00 N ATOM 358 CA THR A 22 2.306 -10.506 0.109 1.00 0.00 C ATOM 359 C THR A 22 2.864 -9.100 0.294 1.00 0.00 C ATOM 360 O THR A 22 3.880 -8.742 -0.302 1.00 0.00 O ATOM 361 CB THR A 22 3.017 -11.452 1.092 1.00 0.00 C ATOM 362 OG1 THR A 22 4.402 -11.567 0.751 1.00 0.00 O ATOM 363 CG2 THR A 22 2.371 -12.827 1.082 1.00 0.00 C ATOM 0 H THR A 22 2.964 -11.834 -1.374 1.00 0.00 H new ATOM 0 HA THR A 22 1.237 -10.502 0.323 1.00 0.00 H new ATOM 0 HB THR A 22 2.926 -11.032 2.094 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.846 -12.170 1.384 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.891 -13.478 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.325 -12.739 1.374 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.434 -13.251 0.080 1.00 0.00 H new ATOM 371 N ILE A 23 2.194 -8.312 1.129 1.00 0.00 N ATOM 372 CA ILE A 23 2.627 -6.946 1.402 1.00 0.00 C ATOM 373 C ILE A 23 4.049 -6.936 1.945 1.00 0.00 C ATOM 374 O ILE A 23 4.861 -6.086 1.582 1.00 0.00 O ATOM 375 CB ILE A 23 1.699 -6.248 2.418 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.259 -6.223 1.898 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.192 -4.836 2.700 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.723 -5.591 2.863 1.00 0.00 C ATOM 0 H ILE A 23 1.350 -8.595 1.628 1.00 0.00 H new ATOM 0 HA ILE A 23 2.586 -6.402 0.458 1.00 0.00 H new ATOM 0 HB ILE A 23 1.716 -6.812 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.231 -5.677 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.059 -7.243 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.528 -4.355 3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.201 -4.878 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.201 -4.262 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.722 -5.608 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.725 -6.150 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.429 -4.559 3.057 1.00 0.00 H new ATOM 390 N GLU A 24 4.341 -7.896 2.817 1.00 0.00 N ATOM 391 CA GLU A 24 5.657 -8.018 3.417 1.00 0.00 C ATOM 392 C GLU A 24 6.734 -8.198 2.350 1.00 0.00 C ATOM 393 O GLU A 24 7.791 -7.568 2.409 1.00 0.00 O ATOM 394 CB GLU A 24 5.665 -9.203 4.383 1.00 0.00 C ATOM 395 CG GLU A 24 7.042 -9.567 4.899 1.00 0.00 C ATOM 396 CD GLU A 24 7.667 -8.475 5.750 1.00 0.00 C ATOM 397 OE1 GLU A 24 7.004 -7.439 5.972 1.00 0.00 O ATOM 398 OE2 GLU A 24 8.818 -8.659 6.197 1.00 0.00 O ATOM 0 H GLU A 24 3.674 -8.605 3.123 1.00 0.00 H new ATOM 0 HA GLU A 24 5.879 -7.101 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.020 -8.972 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.235 -10.070 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.973 -10.483 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.696 -9.779 4.053 1.00 0.00 H new ATOM 405 N ASN A 25 6.459 -9.059 1.376 1.00 0.00 N ATOM 406 CA ASN A 25 7.404 -9.322 0.296 1.00 0.00 C ATOM 407 C ASN A 25 7.607 -8.081 -0.568 1.00 0.00 C ATOM 408 O ASN A 25 8.734 -7.741 -0.926 1.00 0.00 O ATOM 409 CB ASN A 25 6.910 -10.486 -0.566 1.00 0.00 C ATOM 410 CG ASN A 25 7.888 -10.853 -1.667 1.00 0.00 C ATOM 411 OD1 ASN A 25 8.205 -10.037 -2.531 1.00 0.00 O ATOM 412 ND2 ASN A 25 8.369 -12.091 -1.639 1.00 0.00 N ATOM 0 H ASN A 25 5.589 -9.587 1.312 1.00 0.00 H new ATOM 0 HA ASN A 25 8.362 -9.589 0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.739 -11.356 0.068 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.950 -10.222 -1.011 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.029 -12.398 -2.353 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.078 -12.735 -0.903 1.00 0.00 H new ATOM 419 N VAL A 26 6.506 -7.413 -0.905 1.00 0.00 N ATOM 420 CA VAL A 26 6.563 -6.213 -1.733 1.00 0.00 C ATOM 421 C VAL A 26 7.420 -5.133 -1.080 1.00 0.00 C ATOM 422 O VAL A 26 8.303 -4.558 -1.718 1.00 0.00 O ATOM 423 CB VAL A 26 5.155 -5.644 -1.997 1.00 0.00 C ATOM 424 CG1 VAL A 26 5.228 -4.422 -2.891 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.262 -6.698 -2.623 1.00 0.00 C ATOM 0 H VAL A 26 5.565 -7.683 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 26 7.013 -6.506 -2.682 1.00 0.00 H new ATOM 0 HB VAL A 26 4.726 -5.347 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.223 -4.037 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.833 -3.654 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.681 -4.695 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.273 -6.277 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.693 -7.025 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.177 -7.550 -1.949 1.00 0.00 H new ATOM 435 N LYS A 27 7.158 -4.863 0.195 1.00 0.00 N ATOM 436 CA LYS A 27 7.909 -3.855 0.932 1.00 0.00 C ATOM 437 C LYS A 27 9.375 -4.255 1.041 1.00 0.00 C ATOM 438 O LYS A 27 10.268 -3.410 0.978 1.00 0.00 O ATOM 439 CB LYS A 27 7.312 -3.652 2.326 1.00 0.00 C ATOM 440 CG LYS A 27 5.842 -3.267 2.304 1.00 0.00 C ATOM 441 CD LYS A 27 5.317 -2.937 3.694 1.00 0.00 C ATOM 442 CE LYS A 27 5.487 -4.105 4.653 1.00 0.00 C ATOM 443 NZ LYS A 27 4.915 -3.809 5.995 1.00 0.00 N ATOM 0 H LYS A 27 6.431 -5.329 0.738 1.00 0.00 H new ATOM 0 HA LYS A 27 7.844 -2.914 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.431 -4.570 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.875 -2.876 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.703 -2.406 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.259 -4.086 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.844 -2.066 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.262 -2.669 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.002 -4.989 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.546 -4.341 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.252 -4.516 6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.216 -2.861 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.877 -3.843 5.945 1.00 0.00 H new ATOM 457 N ALA A 28 9.614 -5.554 1.203 1.00 0.00 N ATOM 458 CA ALA A 28 10.970 -6.076 1.314 1.00 0.00 C ATOM 459 C ALA A 28 11.824 -5.626 0.133 1.00 0.00 C ATOM 460 O ALA A 28 13.013 -5.348 0.284 1.00 0.00 O ATOM 461 CB ALA A 28 10.946 -7.594 1.405 1.00 0.00 C ATOM 0 H ALA A 28 8.884 -6.264 1.260 1.00 0.00 H new ATOM 0 HA ALA A 28 11.416 -5.678 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.966 -7.970 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.376 -7.897 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.479 -8.005 0.510 1.00 0.00 H new ATOM 467 N LYS A 29 11.204 -5.550 -1.042 1.00 0.00 N ATOM 468 CA LYS A 29 11.901 -5.126 -2.245 1.00 0.00 C ATOM 469 C LYS A 29 12.242 -3.646 -2.158 1.00 0.00 C ATOM 470 O LYS A 29 13.325 -3.228 -2.559 1.00 0.00 O ATOM 471 CB LYS A 29 11.053 -5.414 -3.486 1.00 0.00 C ATOM 472 CG LYS A 29 11.745 -5.057 -4.791 1.00 0.00 C ATOM 473 CD LYS A 29 10.947 -5.526 -5.995 1.00 0.00 C ATOM 474 CE LYS A 29 11.669 -5.213 -7.296 1.00 0.00 C ATOM 475 NZ LYS A 29 10.910 -5.693 -8.483 1.00 0.00 N ATOM 0 H LYS A 29 10.220 -5.777 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 29 12.829 -5.691 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.792 -6.472 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.119 -4.857 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.885 -3.977 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.737 -5.509 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.774 -6.600 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.969 -5.045 -5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.824 -4.137 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.655 -5.677 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.436 -5.460 -9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.784 -6.723 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.978 -5.231 -8.509 1.00 0.00 H new ATOM 489 N ILE A 30 11.315 -2.859 -1.610 1.00 0.00 N ATOM 490 CA ILE A 30 11.533 -1.427 -1.447 1.00 0.00 C ATOM 491 C ILE A 30 12.821 -1.187 -0.671 1.00 0.00 C ATOM 492 O ILE A 30 13.588 -0.276 -0.979 1.00 0.00 O ATOM 493 CB ILE A 30 10.359 -0.756 -0.706 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.047 -0.963 -1.470 1.00 0.00 C ATOM 495 CG2 ILE A 30 10.633 0.729 -0.510 1.00 0.00 C ATOM 496 CD1 ILE A 30 9.005 -0.262 -2.810 1.00 0.00 C ATOM 0 H ILE A 30 10.411 -3.190 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 30 11.607 -0.986 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 30 10.261 -1.223 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.891 -2.031 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.220 -0.605 -0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.795 1.188 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.542 0.857 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.758 1.207 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.046 -0.455 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.128 0.811 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.810 -0.637 -3.442 1.00 0.00 H new ATOM 508 N GLN A 31 13.059 -2.038 0.324 1.00 0.00 N ATOM 509 CA GLN A 31 14.262 -1.961 1.139 1.00 0.00 C ATOM 510 C GLN A 31 15.482 -2.138 0.252 1.00 0.00 C ATOM 511 O GLN A 31 16.425 -1.349 0.297 1.00 0.00 O ATOM 512 CB GLN A 31 14.227 -3.053 2.208 1.00 0.00 C ATOM 513 CG GLN A 31 15.531 -3.220 2.966 1.00 0.00 C ATOM 514 CD GLN A 31 15.481 -4.343 3.988 1.00 0.00 C ATOM 515 OE1 GLN A 31 14.356 -5.050 4.051 1.00 0.00 O flip ATOM 516 NE2 GLN A 31 16.448 -4.577 4.712 1.00 0.00 N flip ATOM 0 H GLN A 31 12.426 -2.794 0.584 1.00 0.00 H new ATOM 0 HA GLN A 31 14.313 -0.988 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.433 -2.825 2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.970 -4.001 1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.335 -3.416 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.774 -2.286 3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.293 -4.011 4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.404 -5.337 5.391 1.00 0.00 H new ATOM 525 N ASP A 32 15.437 -3.172 -0.573 1.00 0.00 N ATOM 526 CA ASP A 32 16.514 -3.453 -1.502 1.00 0.00 C ATOM 527 C ASP A 32 16.630 -2.312 -2.504 1.00 0.00 C ATOM 528 O ASP A 32 17.712 -2.003 -3.002 1.00 0.00 O ATOM 529 CB ASP A 32 16.253 -4.774 -2.225 1.00 0.00 C ATOM 530 CG ASP A 32 17.290 -5.070 -3.290 1.00 0.00 C ATOM 531 OD1 ASP A 32 18.485 -5.176 -2.942 1.00 0.00 O ATOM 532 OD2 ASP A 32 16.907 -5.198 -4.471 1.00 0.00 O ATOM 0 H ASP A 32 14.661 -3.832 -0.616 1.00 0.00 H new ATOM 0 HA ASP A 32 17.452 -3.541 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.242 -5.586 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.265 -4.744 -2.684 1.00 0.00 H new ATOM 537 N LYS A 33 15.489 -1.690 -2.779 1.00 0.00 N ATOM 538 CA LYS A 33 15.409 -0.573 -3.707 1.00 0.00 C ATOM 539 C LYS A 33 16.035 0.686 -3.112 1.00 0.00 C ATOM 540 O LYS A 33 16.596 1.510 -3.835 1.00 0.00 O ATOM 541 CB LYS A 33 13.947 -0.320 -4.090 1.00 0.00 C ATOM 542 CG LYS A 33 13.362 -1.387 -5.003 1.00 0.00 C ATOM 543 CD LYS A 33 14.112 -1.475 -6.325 1.00 0.00 C ATOM 544 CE LYS A 33 14.016 -0.178 -7.113 1.00 0.00 C ATOM 545 NZ LYS A 33 14.750 -0.258 -8.407 1.00 0.00 N ATOM 0 H LYS A 33 14.594 -1.948 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 33 15.973 -0.829 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.347 -0.263 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.872 0.649 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.397 -2.354 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.312 -1.165 -5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.160 -1.708 -6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.706 -2.293 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.968 0.054 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.420 0.640 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.660 0.646 -8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.755 -0.454 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.348 -1.022 -8.987 1.00 0.00 H new ATOM 559 N GLU A 34 15.939 0.832 -1.792 1.00 0.00 N ATOM 560 CA GLU A 34 16.502 1.993 -1.110 1.00 0.00 C ATOM 561 C GLU A 34 17.178 1.585 0.196 1.00 0.00 C ATOM 562 O GLU A 34 18.396 1.698 0.331 1.00 0.00 O ATOM 563 CB GLU A 34 15.410 3.029 -0.830 1.00 0.00 C ATOM 564 CG GLU A 34 15.927 4.306 -0.188 1.00 0.00 C ATOM 565 CD GLU A 34 16.955 5.017 -1.048 1.00 0.00 C ATOM 566 OE1 GLU A 34 16.631 5.351 -2.206 1.00 0.00 O ATOM 567 OE2 GLU A 34 18.082 5.244 -0.560 1.00 0.00 O ATOM 0 H GLU A 34 15.478 0.163 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 34 17.253 2.435 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.911 3.280 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.658 2.584 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.090 4.978 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.370 4.068 0.779 1.00 0.00 H new ATOM 574 N GLY A 35 16.388 1.101 1.151 1.00 0.00 N ATOM 575 CA GLY A 35 16.950 0.675 2.421 1.00 0.00 C ATOM 576 C GLY A 35 15.940 0.657 3.552 1.00 0.00 C ATOM 577 O GLY A 35 15.954 -0.251 4.383 1.00 0.00 O ATOM 0 H GLY A 35 15.377 0.997 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.373 -0.323 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.771 1.340 2.688 1.00 0.00 H new ATOM 581 N ILE A 36 15.074 1.667 3.594 1.00 0.00 N ATOM 582 CA ILE A 36 14.066 1.769 4.644 1.00 0.00 C ATOM 583 C ILE A 36 13.361 0.442 4.909 1.00 0.00 C ATOM 584 O ILE A 36 12.826 -0.186 3.996 1.00 0.00 O ATOM 585 CB ILE A 36 12.997 2.832 4.318 1.00 0.00 C ATOM 586 CG1 ILE A 36 12.897 3.074 2.807 1.00 0.00 C ATOM 587 CG2 ILE A 36 13.298 4.129 5.046 1.00 0.00 C ATOM 588 CD1 ILE A 36 12.458 1.863 2.016 1.00 0.00 C ATOM 0 H ILE A 36 15.051 2.426 2.913 1.00 0.00 H new ATOM 0 HA ILE A 36 14.614 2.065 5.538 1.00 0.00 H new ATOM 0 HB ILE A 36 12.034 2.455 4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.194 3.887 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.868 3.404 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.534 4.868 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.303 3.950 6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.274 4.502 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.412 2.117 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.172 1.053 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.472 1.544 2.355 1.00 0.00 H new ATOM 600 N PRO A 37 13.346 0.009 6.180 1.00 0.00 N ATOM 601 CA PRO A 37 12.694 -1.235 6.591 1.00 0.00 C ATOM 602 C PRO A 37 11.301 -1.388 5.988 1.00 0.00 C ATOM 603 O PRO A 37 10.542 -0.422 5.912 1.00 0.00 O ATOM 604 CB PRO A 37 12.580 -1.073 8.103 1.00 0.00 C ATOM 605 CG PRO A 37 13.741 -0.225 8.481 1.00 0.00 C ATOM 606 CD PRO A 37 13.966 0.709 7.325 1.00 0.00 C ATOM 0 HA PRO A 37 13.251 -2.114 6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.638 -0.601 8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.614 -2.038 8.608 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.537 0.330 9.397 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.625 -0.835 8.668 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.502 1.680 7.499 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.028 0.889 7.157 1.00 0.00 H new ATOM 614 N PRO A 38 10.940 -2.608 5.555 1.00 0.00 N ATOM 615 CA PRO A 38 9.625 -2.874 4.966 1.00 0.00 C ATOM 616 C PRO A 38 8.490 -2.475 5.905 1.00 0.00 C ATOM 617 O PRO A 38 7.480 -1.918 5.475 1.00 0.00 O ATOM 618 CB PRO A 38 9.626 -4.391 4.748 1.00 0.00 C ATOM 619 CG PRO A 38 11.067 -4.769 4.691 1.00 0.00 C ATOM 620 CD PRO A 38 11.777 -3.820 5.612 1.00 0.00 C ATOM 0 HA PRO A 38 9.464 -2.303 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.114 -4.907 5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.111 -4.658 3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.213 -5.802 5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.452 -4.689 3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.844 -4.216 6.625 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.796 -3.622 5.279 1.00 0.00 H new ATOM 628 N ASP A 39 8.669 -2.763 7.189 1.00 0.00 N ATOM 629 CA ASP A 39 7.668 -2.442 8.200 1.00 0.00 C ATOM 630 C ASP A 39 7.510 -0.934 8.363 1.00 0.00 C ATOM 631 O ASP A 39 6.407 -0.442 8.605 1.00 0.00 O ATOM 632 CB ASP A 39 8.054 -3.070 9.541 1.00 0.00 C ATOM 633 CG ASP A 39 8.130 -4.583 9.474 1.00 0.00 C ATOM 634 OD1 ASP A 39 7.822 -5.148 8.404 1.00 0.00 O ATOM 635 OD2 ASP A 39 8.494 -5.204 10.494 1.00 0.00 O ATOM 0 H ASP A 39 9.503 -3.221 7.556 1.00 0.00 H new ATOM 0 HA ASP A 39 6.714 -2.852 7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.019 -2.675 9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.325 -2.779 10.298 1.00 0.00 H new ATOM 640 N GLN A 40 8.617 -0.207 8.243 1.00 0.00 N ATOM 641 CA GLN A 40 8.593 1.242 8.392 1.00 0.00 C ATOM 642 C GLN A 40 7.677 1.886 7.354 1.00 0.00 C ATOM 643 O GLN A 40 6.995 2.870 7.642 1.00 0.00 O ATOM 644 CB GLN A 40 10.004 1.819 8.265 1.00 0.00 C ATOM 645 CG GLN A 40 10.088 3.295 8.627 1.00 0.00 C ATOM 646 CD GLN A 40 11.427 3.920 8.282 1.00 0.00 C ATOM 647 OE1 GLN A 40 12.302 3.146 7.652 1.00 0.00 O flip ATOM 648 NE2 GLN A 40 11.669 5.091 8.573 1.00 0.00 N flip ATOM 0 H GLN A 40 9.538 -0.597 8.044 1.00 0.00 H new ATOM 0 HA GLN A 40 8.204 1.467 9.385 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.678 1.255 8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.353 1.683 7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.297 3.836 8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.904 3.412 9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.968 5.651 9.058 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.571 5.501 8.329 1.00 0.00 H new ATOM 657 N GLN A 41 7.677 1.331 6.147 1.00 0.00 N ATOM 658 CA GLN A 41 6.853 1.852 5.060 1.00 0.00 C ATOM 659 C GLN A 41 5.381 1.897 5.456 1.00 0.00 C ATOM 660 O GLN A 41 4.841 0.928 5.988 1.00 0.00 O ATOM 661 CB GLN A 41 7.035 0.993 3.811 1.00 0.00 C ATOM 662 CG GLN A 41 8.463 0.976 3.296 1.00 0.00 C ATOM 663 CD GLN A 41 8.652 0.020 2.137 1.00 0.00 C ATOM 664 OE1 GLN A 41 7.988 0.136 1.108 1.00 0.00 O ATOM 665 NE2 GLN A 41 9.565 -0.931 2.300 1.00 0.00 N ATOM 0 H GLN A 41 8.240 0.518 5.895 1.00 0.00 H new ATOM 0 HA GLN A 41 7.176 2.871 4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.724 -0.028 4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.377 1.363 3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.744 1.981 2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.135 0.695 4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.092 -0.988 3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.739 -1.604 1.554 1.00 0.00 H new ATOM 674 N ARG A 42 4.741 3.035 5.200 1.00 0.00 N ATOM 675 CA ARG A 42 3.338 3.214 5.536 1.00 0.00 C ATOM 676 C ARG A 42 2.430 2.830 4.372 1.00 0.00 C ATOM 677 O ARG A 42 2.578 3.346 3.265 1.00 0.00 O ATOM 678 CB ARG A 42 3.071 4.662 5.951 1.00 0.00 C ATOM 679 CG ARG A 42 1.629 4.928 6.347 1.00 0.00 C ATOM 680 CD ARG A 42 1.416 6.381 6.741 1.00 0.00 C ATOM 681 NE ARG A 42 1.731 7.297 5.650 1.00 0.00 N ATOM 682 CZ ARG A 42 1.622 8.619 5.741 1.00 0.00 C ATOM 683 NH1 ARG A 42 1.207 9.178 6.869 1.00 0.00 N ATOM 684 NH2 ARG A 42 1.928 9.384 4.702 1.00 0.00 N ATOM 0 H ARG A 42 5.176 3.846 4.760 1.00 0.00 H new ATOM 0 HA ARG A 42 3.112 2.553 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.721 4.916 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.340 5.322 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.970 4.675 5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.354 4.281 7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.380 6.525 7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.039 6.617 7.604 1.00 0.00 H new ATOM 0 HE ARG A 42 2.053 6.901 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.970 8.594 7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.125 10.193 6.935 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.247 8.958 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.844 10.398 4.773 1.00 0.00 H new ATOM 698 N LEU A 43 1.482 1.931 4.629 1.00 0.00 N ATOM 699 CA LEU A 43 0.551 1.497 3.594 1.00 0.00 C ATOM 700 C LEU A 43 -0.485 2.579 3.313 1.00 0.00 C ATOM 701 O LEU A 43 -1.081 3.135 4.237 1.00 0.00 O ATOM 702 CB LEU A 43 -0.159 0.201 3.997 1.00 0.00 C ATOM 703 CG LEU A 43 0.753 -0.941 4.455 1.00 0.00 C ATOM 704 CD1 LEU A 43 -0.025 -2.247 4.498 1.00 0.00 C ATOM 705 CD2 LEU A 43 1.960 -1.075 3.540 1.00 0.00 C ATOM 0 H LEU A 43 1.340 1.493 5.539 1.00 0.00 H new ATOM 0 HA LEU A 43 1.130 1.312 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.859 0.427 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.749 -0.147 3.149 1.00 0.00 H new ATOM 0 HG LEU A 43 1.113 -0.710 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.633 -3.052 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.857 -2.152 5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.410 -2.474 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.591 -1.893 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.625 -1.282 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.531 -0.146 3.552 1.00 0.00 H new ATOM 717 N ILE A 44 -0.697 2.871 2.035 1.00 0.00 N ATOM 718 CA ILE A 44 -1.663 3.884 1.634 1.00 0.00 C ATOM 719 C ILE A 44 -2.372 3.477 0.346 1.00 0.00 C ATOM 720 O ILE A 44 -1.736 3.046 -0.615 1.00 0.00 O ATOM 721 CB ILE A 44 -0.991 5.255 1.439 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.340 5.709 2.746 1.00 0.00 C ATOM 723 CG2 ILE A 44 -2.005 6.282 0.956 1.00 0.00 C ATOM 724 CD1 ILE A 44 0.419 7.010 2.629 1.00 0.00 C ATOM 0 H ILE A 44 -0.212 2.420 1.259 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.396 3.967 2.437 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.216 5.162 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.112 5.817 3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.341 4.931 3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.512 7.245 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.428 5.957 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.802 6.380 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.852 7.267 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.215 6.902 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.262 7.801 2.315 1.00 0.00 H new ATOM 736 N PHE A 45 -3.694 3.611 0.341 1.00 0.00 N ATOM 737 CA PHE A 45 -4.497 3.253 -0.822 1.00 0.00 C ATOM 738 C PHE A 45 -5.442 4.393 -1.188 1.00 0.00 C ATOM 739 O PHE A 45 -5.958 5.082 -0.309 1.00 0.00 O ATOM 740 CB PHE A 45 -5.304 1.979 -0.541 1.00 0.00 C ATOM 741 CG PHE A 45 -4.468 0.806 -0.110 1.00 0.00 C ATOM 742 CD1 PHE A 45 -3.888 0.774 1.149 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.260 -0.265 -0.964 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.118 -0.302 1.547 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.491 -1.344 -0.571 1.00 0.00 C ATOM 746 CZ PHE A 45 -2.920 -1.362 0.686 1.00 0.00 C ATOM 0 H PHE A 45 -4.233 3.966 1.131 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.824 3.069 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.040 2.191 0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.857 1.707 -1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.040 1.601 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.704 -0.257 -1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.672 -0.313 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.337 -2.172 -1.247 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.319 -2.205 0.995 1.00 0.00 H new ATOM 756 N ALA A 46 -5.665 4.596 -2.485 1.00 0.00 N ATOM 757 CA ALA A 46 -6.552 5.666 -2.934 1.00 0.00 C ATOM 758 C ALA A 46 -7.103 5.394 -4.330 1.00 0.00 C ATOM 759 O ALA A 46 -6.350 5.137 -5.269 1.00 0.00 O ATOM 760 CB ALA A 46 -5.819 6.998 -2.908 1.00 0.00 C ATOM 0 H ALA A 46 -5.250 4.042 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.398 5.707 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.489 7.789 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.488 7.211 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.954 6.950 -3.569 1.00 0.00 H new ATOM 766 N GLY A 47 -8.425 5.460 -4.453 1.00 0.00 N ATOM 767 CA GLY A 47 -9.069 5.228 -5.732 1.00 0.00 C ATOM 768 C GLY A 47 -8.883 6.385 -6.695 1.00 0.00 C ATOM 769 O GLY A 47 -8.967 7.548 -6.302 1.00 0.00 O ATOM 0 H GLY A 47 -9.064 5.671 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.665 4.319 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.134 5.059 -5.573 1.00 0.00 H new ATOM 868 N MET B 1 -2.638 -3.323 12.496 1.00 0.00 N ATOM 869 CA MET B 1 -2.074 -2.889 11.224 1.00 0.00 C ATOM 870 C MET B 1 -3.061 -2.009 10.452 1.00 0.00 C ATOM 871 O MET B 1 -3.307 -2.226 9.265 1.00 0.00 O ATOM 872 CB MET B 1 -1.673 -4.106 10.384 1.00 0.00 C ATOM 873 CG MET B 1 -0.966 -3.751 9.086 1.00 0.00 C ATOM 874 SD MET B 1 0.535 -2.791 9.352 1.00 0.00 S ATOM 875 CE MET B 1 1.006 -2.437 7.662 1.00 0.00 C ATOM 0 H1 MET B 1 -1.947 -3.917 12.997 1.00 0.00 H new ATOM 0 H2 MET B 1 -2.865 -2.491 13.077 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.505 -3.871 12.323 1.00 0.00 H new ATOM 0 HA MET B 1 -1.186 -2.292 11.431 1.00 0.00 H new ATOM 0 HB2 MET B 1 -1.021 -4.747 10.978 1.00 0.00 H new ATOM 0 HB3 MET B 1 -2.566 -4.686 10.153 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.716 -4.667 8.551 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.646 -3.185 8.449 1.00 0.00 H new ATOM 0 HE1 MET B 1 2.013 -2.021 7.645 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.984 -3.357 7.078 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.308 -1.718 7.233 1.00 0.00 H new ATOM 885 N GLN B 2 -3.627 -1.015 11.131 1.00 0.00 N ATOM 886 CA GLN B 2 -4.580 -0.114 10.495 1.00 0.00 C ATOM 887 C GLN B 2 -3.924 0.647 9.345 1.00 0.00 C ATOM 888 O GLN B 2 -3.051 1.490 9.553 1.00 0.00 O ATOM 889 CB GLN B 2 -5.154 0.867 11.523 1.00 0.00 C ATOM 890 CG GLN B 2 -4.101 1.708 12.226 1.00 0.00 C ATOM 891 CD GLN B 2 -4.700 2.671 13.233 1.00 0.00 C ATOM 892 OE1 GLN B 2 -5.357 2.259 14.189 1.00 0.00 O ATOM 893 NE2 GLN B 2 -4.476 3.963 13.021 1.00 0.00 N ATOM 0 H GLN B 2 -3.443 -0.815 12.114 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.395 -0.712 10.088 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.860 1.530 11.023 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.716 0.307 12.270 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -3.395 1.050 12.733 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.535 2.270 11.483 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -3.925 4.260 12.215 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -4.854 4.658 13.664 1.00 0.00 H new ATOM 902 N ILE B 3 -4.355 0.336 8.128 1.00 0.00 N ATOM 903 CA ILE B 3 -3.829 0.975 6.932 1.00 0.00 C ATOM 904 C ILE B 3 -4.559 2.278 6.641 1.00 0.00 C ATOM 905 O ILE B 3 -5.772 2.374 6.821 1.00 0.00 O ATOM 906 CB ILE B 3 -3.951 0.052 5.701 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.404 -0.382 5.500 1.00 0.00 C ATOM 908 CG2 ILE B 3 -3.045 -1.160 5.851 1.00 0.00 C ATOM 909 CD1 ILE B 3 -5.613 -1.242 4.272 1.00 0.00 C ATOM 0 H ILE B 3 -5.075 -0.363 7.945 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.776 1.182 7.122 1.00 0.00 H new ATOM 0 HB ILE B 3 -3.634 0.609 4.819 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -5.735 -0.933 6.380 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -6.033 0.505 5.424 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -3.144 -1.799 4.974 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.010 -0.831 5.945 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.330 -1.719 6.742 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -6.666 -1.513 4.192 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -5.313 -0.687 3.383 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -5.011 -2.147 4.355 1.00 0.00 H new ATOM 921 N PHE B 4 -3.817 3.276 6.174 1.00 0.00 N ATOM 922 CA PHE B 4 -4.406 4.565 5.841 1.00 0.00 C ATOM 923 C PHE B 4 -4.886 4.549 4.396 1.00 0.00 C ATOM 924 O PHE B 4 -4.130 4.211 3.486 1.00 0.00 O ATOM 925 CB PHE B 4 -3.390 5.695 6.048 1.00 0.00 C ATOM 926 CG PHE B 4 -2.978 5.897 7.481 1.00 0.00 C ATOM 927 CD1 PHE B 4 -2.495 4.841 8.241 1.00 0.00 C ATOM 928 CD2 PHE B 4 -3.073 7.148 8.069 1.00 0.00 C ATOM 929 CE1 PHE B 4 -2.117 5.030 9.556 1.00 0.00 C ATOM 930 CE2 PHE B 4 -2.697 7.343 9.385 1.00 0.00 C ATOM 931 CZ PHE B 4 -2.218 6.282 10.129 1.00 0.00 C ATOM 0 H PHE B 4 -2.811 3.217 6.018 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.254 4.745 6.501 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.502 5.484 5.452 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.815 6.625 5.669 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.414 3.859 7.799 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.446 7.981 7.492 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -1.743 4.199 10.136 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -2.778 8.323 9.831 1.00 0.00 H new ATOM 0 HZ PHE B 4 -1.923 6.432 11.157 1.00 0.00 H new ATOM 941 N VAL B 5 -6.153 4.896 4.189 1.00 0.00 N ATOM 942 CA VAL B 5 -6.731 4.899 2.852 1.00 0.00 C ATOM 943 C VAL B 5 -7.695 6.062 2.663 1.00 0.00 C ATOM 944 O VAL B 5 -8.477 6.392 3.554 1.00 0.00 O ATOM 945 CB VAL B 5 -7.474 3.579 2.560 1.00 0.00 C ATOM 946 CG1 VAL B 5 -8.098 3.605 1.172 1.00 0.00 C ATOM 947 CG2 VAL B 5 -6.537 2.391 2.705 1.00 0.00 C ATOM 0 H VAL B 5 -6.796 5.178 4.929 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.901 5.007 2.154 1.00 0.00 H new ATOM 0 HB VAL B 5 -8.276 3.473 3.291 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.616 2.664 0.988 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.808 4.429 1.108 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.317 3.741 0.424 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -7.081 1.470 2.495 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -5.710 2.492 2.002 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -6.147 2.357 3.722 1.00 0.00 H new ATOM 957 N LYS B 6 -7.633 6.673 1.488 1.00 0.00 N ATOM 958 CA LYS B 6 -8.495 7.798 1.154 1.00 0.00 C ATOM 959 C LYS B 6 -9.626 7.351 0.235 1.00 0.00 C ATOM 960 O LYS B 6 -9.392 6.669 -0.763 1.00 0.00 O ATOM 961 CB LYS B 6 -7.685 8.910 0.483 1.00 0.00 C ATOM 962 CG LYS B 6 -6.563 9.459 1.351 1.00 0.00 C ATOM 963 CD LYS B 6 -5.792 10.556 0.637 1.00 0.00 C ATOM 964 CE LYS B 6 -4.672 11.108 1.506 1.00 0.00 C ATOM 965 NZ LYS B 6 -5.189 11.695 2.773 1.00 0.00 N ATOM 0 H LYS B 6 -6.988 6.405 0.744 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.926 8.184 2.078 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.260 8.528 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -8.357 9.725 0.215 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -6.978 9.850 2.280 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -5.883 8.652 1.621 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.375 10.164 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -6.473 11.362 0.364 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -3.966 10.311 1.737 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -4.123 11.869 0.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -4.443 12.264 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -6.009 12.300 2.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -5.477 10.931 3.417 1.00 0.00 H new ATOM 979 N THR B 7 -10.851 7.738 0.575 1.00 0.00 N ATOM 980 CA THR B 7 -12.012 7.375 -0.227 1.00 0.00 C ATOM 981 C THR B 7 -11.979 8.072 -1.583 1.00 0.00 C ATOM 982 O THR B 7 -10.915 8.467 -2.061 1.00 0.00 O ATOM 983 CB THR B 7 -13.326 7.726 0.496 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.389 9.136 0.740 1.00 0.00 O ATOM 985 CG2 THR B 7 -13.435 6.974 1.814 1.00 0.00 C ATOM 0 H THR B 7 -11.064 8.301 1.398 1.00 0.00 H new ATOM 0 HA THR B 7 -11.972 6.296 -0.378 1.00 0.00 H new ATOM 0 HB THR B 7 -14.158 7.430 -0.144 1.00 0.00 H new ATOM 0 HG1 THR B 7 -14.228 9.352 1.198 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.371 7.238 2.307 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.415 5.901 1.623 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.597 7.244 2.457 1.00 0.00 H new ATOM 993 N LEU B 8 -13.146 8.222 -2.204 1.00 0.00 N ATOM 994 CA LEU B 8 -13.230 8.874 -3.506 1.00 0.00 C ATOM 995 C LEU B 8 -12.757 10.321 -3.416 1.00 0.00 C ATOM 996 O LEU B 8 -11.915 10.758 -4.200 1.00 0.00 O ATOM 997 CB LEU B 8 -14.664 8.826 -4.044 1.00 0.00 C ATOM 998 CG LEU B 8 -15.301 7.432 -4.100 1.00 0.00 C ATOM 999 CD1 LEU B 8 -16.615 7.483 -4.857 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -14.364 6.426 -4.744 1.00 0.00 C ATOM 0 H LEU B 8 -14.040 7.903 -1.830 1.00 0.00 H new ATOM 0 HA LEU B 8 -12.579 8.335 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -15.289 9.467 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -14.671 9.251 -5.048 1.00 0.00 H new ATOM 0 HG LEU B 8 -15.493 7.109 -3.077 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -17.056 6.487 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -17.299 8.166 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -16.436 7.833 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -14.843 5.447 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -14.133 6.743 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -13.443 6.364 -4.165 1.00 0.00 H new ATOM 1012 N THR B 9 -13.298 11.059 -2.450 1.00 0.00 N ATOM 1013 CA THR B 9 -12.925 12.454 -2.256 1.00 0.00 C ATOM 1014 C THR B 9 -11.554 12.568 -1.595 1.00 0.00 C ATOM 1015 O THR B 9 -10.714 13.362 -2.020 1.00 0.00 O ATOM 1016 CB THR B 9 -13.966 13.205 -1.402 1.00 0.00 C ATOM 1017 OG1 THR B 9 -13.536 14.553 -1.176 1.00 0.00 O ATOM 1018 CG2 THR B 9 -14.187 12.505 -0.069 1.00 0.00 C ATOM 0 H THR B 9 -13.995 10.713 -1.791 1.00 0.00 H new ATOM 0 HA THR B 9 -12.887 12.912 -3.244 1.00 0.00 H new ATOM 0 HB THR B 9 -14.910 13.212 -1.947 1.00 0.00 H new ATOM 0 HG1 THR B 9 -14.204 15.023 -0.634 1.00 0.00 H new ATOM 0 HG21 THR B 9 -14.926 13.056 0.513 1.00 0.00 H new ATOM 0 HG22 THR B 9 -14.547 11.491 -0.246 1.00 0.00 H new ATOM 0 HG23 THR B 9 -13.247 12.466 0.482 1.00 0.00 H new ATOM 1026 N GLY B 10 -11.332 11.765 -0.557 1.00 0.00 N ATOM 1027 CA GLY B 10 -10.061 11.786 0.143 1.00 0.00 C ATOM 1028 C GLY B 10 -10.215 11.593 1.639 1.00 0.00 C ATOM 1029 O GLY B 10 -9.458 12.163 2.425 1.00 0.00 O ATOM 0 H GLY B 10 -12.012 11.100 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -9.418 11.002 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -9.561 12.736 -0.047 1.00 0.00 H new ATOM 1033 N LYS B 11 -11.196 10.787 2.035 1.00 0.00 N ATOM 1034 CA LYS B 11 -11.443 10.521 3.449 1.00 0.00 C ATOM 1035 C LYS B 11 -10.512 9.435 3.976 1.00 0.00 C ATOM 1036 O LYS B 11 -10.419 8.351 3.400 1.00 0.00 O ATOM 1037 CB LYS B 11 -12.898 10.100 3.664 1.00 0.00 C ATOM 1038 CG LYS B 11 -13.238 9.811 5.117 1.00 0.00 C ATOM 1039 CD LYS B 11 -14.655 9.285 5.264 1.00 0.00 C ATOM 1040 CE LYS B 11 -15.008 9.032 6.721 1.00 0.00 C ATOM 1041 NZ LYS B 11 -14.900 10.270 7.542 1.00 0.00 N ATOM 0 H LYS B 11 -11.832 10.307 1.398 1.00 0.00 H new ATOM 0 HA LYS B 11 -11.248 11.441 4.000 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -13.554 10.889 3.296 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -13.102 9.211 3.068 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -12.535 9.081 5.518 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -13.124 10.721 5.706 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -15.356 10.002 4.838 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -14.761 8.360 4.697 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -16.023 8.641 6.786 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -14.346 8.268 7.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -15.368 10.120 8.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -13.897 10.497 7.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -15.360 11.058 7.043 1.00 0.00 H new ATOM 1055 N THR B 12 -9.834 9.726 5.081 1.00 0.00 N ATOM 1056 CA THR B 12 -8.920 8.767 5.692 1.00 0.00 C ATOM 1057 C THR B 12 -9.696 7.646 6.376 1.00 0.00 C ATOM 1058 O THR B 12 -10.681 7.899 7.071 1.00 0.00 O ATOM 1059 CB THR B 12 -8.000 9.445 6.724 1.00 0.00 C ATOM 1060 OG1 THR B 12 -7.238 10.482 6.094 1.00 0.00 O ATOM 1061 CG2 THR B 12 -7.057 8.435 7.360 1.00 0.00 C ATOM 0 H THR B 12 -9.900 10.618 5.572 1.00 0.00 H new ATOM 0 HA THR B 12 -8.306 8.353 4.893 1.00 0.00 H new ATOM 0 HB THR B 12 -8.626 9.875 7.506 1.00 0.00 H new ATOM 0 HG1 THR B 12 -6.657 10.910 6.757 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.418 8.940 8.085 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.638 7.662 7.864 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.438 7.978 6.588 1.00 0.00 H new ATOM 1069 N ILE B 13 -9.254 6.407 6.178 1.00 0.00 N ATOM 1070 CA ILE B 13 -9.924 5.260 6.783 1.00 0.00 C ATOM 1071 C ILE B 13 -8.910 4.262 7.341 1.00 0.00 C ATOM 1072 O ILE B 13 -7.922 3.929 6.687 1.00 0.00 O ATOM 1073 CB ILE B 13 -10.839 4.533 5.766 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -10.020 3.608 4.864 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -11.601 5.544 4.923 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -10.827 2.937 3.774 1.00 0.00 C ATOM 0 H ILE B 13 -8.441 6.173 5.608 1.00 0.00 H new ATOM 0 HA ILE B 13 -10.537 5.648 7.597 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.554 3.928 6.323 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -9.217 4.184 4.405 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.551 2.840 5.479 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -12.240 5.018 4.213 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -12.216 6.168 5.571 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -10.894 6.171 4.380 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -10.174 2.299 3.179 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -11.614 2.332 4.224 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -11.275 3.696 3.133 1.00 0.00 H new ATOM 1088 N THR B 14 -9.167 3.783 8.554 1.00 0.00 N ATOM 1089 CA THR B 14 -8.285 2.813 9.192 1.00 0.00 C ATOM 1090 C THR B 14 -8.762 1.390 8.941 1.00 0.00 C ATOM 1091 O THR B 14 -9.963 1.125 8.896 1.00 0.00 O ATOM 1092 CB THR B 14 -8.172 3.043 10.709 1.00 0.00 C ATOM 1093 OG1 THR B 14 -9.417 3.523 11.232 1.00 0.00 O ATOM 1094 CG2 THR B 14 -7.054 4.022 11.028 1.00 0.00 C ATOM 0 H THR B 14 -9.977 4.050 9.114 1.00 0.00 H new ATOM 0 HA THR B 14 -7.301 2.953 8.745 1.00 0.00 H new ATOM 0 HB THR B 14 -7.935 2.090 11.181 1.00 0.00 H new ATOM 0 HG1 THR B 14 -9.333 3.664 12.198 1.00 0.00 H new ATOM 0 HG21 THR B 14 -6.995 4.168 12.107 1.00 0.00 H new ATOM 0 HG22 THR B 14 -6.107 3.624 10.663 1.00 0.00 H new ATOM 0 HG23 THR B 14 -7.257 4.977 10.544 1.00 0.00 H new ATOM 1102 N LEU B 15 -7.812 0.477 8.783 1.00 0.00 N ATOM 1103 CA LEU B 15 -8.136 -0.921 8.541 1.00 0.00 C ATOM 1104 C LEU B 15 -6.981 -1.828 8.953 1.00 0.00 C ATOM 1105 O LEU B 15 -5.915 -1.818 8.343 1.00 0.00 O ATOM 1106 CB LEU B 15 -8.464 -1.120 7.058 1.00 0.00 C ATOM 1107 CG LEU B 15 -8.319 -2.550 6.530 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -9.131 -3.525 7.362 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -8.734 -2.617 5.069 1.00 0.00 C ATOM 0 H LEU B 15 -6.813 0.680 8.818 1.00 0.00 H new ATOM 0 HA LEU B 15 -9.004 -1.189 9.144 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.489 -0.791 6.884 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -7.816 -0.469 6.471 1.00 0.00 H new ATOM 0 HG LEU B 15 -7.270 -2.837 6.609 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.009 -4.532 6.964 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -8.784 -3.498 8.395 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.184 -3.246 7.325 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.626 -3.639 4.707 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.774 -2.305 4.972 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.100 -1.954 4.480 1.00 0.00 H new ATOM 1121 N GLU B 16 -7.212 -2.623 9.990 1.00 0.00 N ATOM 1122 CA GLU B 16 -6.204 -3.544 10.488 1.00 0.00 C ATOM 1123 C GLU B 16 -6.258 -4.870 9.737 1.00 0.00 C ATOM 1124 O GLU B 16 -7.320 -5.479 9.605 1.00 0.00 O ATOM 1125 CB GLU B 16 -6.397 -3.770 11.987 1.00 0.00 C ATOM 1126 CG GLU B 16 -7.768 -4.317 12.352 1.00 0.00 C ATOM 1127 CD GLU B 16 -7.933 -4.530 13.844 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -7.191 -5.360 14.410 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -8.799 -3.865 14.447 1.00 0.00 O ATOM 0 H GLU B 16 -8.093 -2.647 10.503 1.00 0.00 H new ATOM 0 HA GLU B 16 -5.221 -3.103 10.321 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -5.633 -4.462 12.342 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -6.241 -2.827 12.511 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -8.535 -3.628 12.000 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -7.927 -5.263 11.834 1.00 0.00 H new ATOM 1136 N VAL B 17 -5.100 -5.307 9.250 1.00 0.00 N ATOM 1137 CA VAL B 17 -4.990 -6.558 8.504 1.00 0.00 C ATOM 1138 C VAL B 17 -3.564 -7.092 8.557 1.00 0.00 C ATOM 1139 O VAL B 17 -2.604 -6.323 8.544 1.00 0.00 O ATOM 1140 CB VAL B 17 -5.399 -6.381 7.028 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -6.908 -6.240 6.889 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -4.691 -5.178 6.430 1.00 0.00 C ATOM 0 H VAL B 17 -4.217 -4.808 9.360 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.670 -7.268 8.975 1.00 0.00 H new ATOM 0 HB VAL B 17 -5.097 -7.274 6.480 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.167 -6.117 5.837 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -7.394 -7.134 7.280 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -7.245 -5.369 7.450 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.987 -5.063 5.387 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.964 -4.281 6.986 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.612 -5.325 6.486 1.00 0.00 H new ATOM 1152 N GLU B 18 -3.434 -8.411 8.619 1.00 0.00 N ATOM 1153 CA GLU B 18 -2.126 -9.050 8.681 1.00 0.00 C ATOM 1154 C GLU B 18 -1.255 -8.639 7.495 1.00 0.00 C ATOM 1155 O GLU B 18 -1.724 -8.583 6.359 1.00 0.00 O ATOM 1156 CB GLU B 18 -2.288 -10.570 8.706 1.00 0.00 C ATOM 1157 CG GLU B 18 -3.187 -11.060 9.827 1.00 0.00 C ATOM 1158 CD GLU B 18 -3.337 -12.568 9.839 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -3.821 -13.125 8.832 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -2.970 -13.193 10.857 1.00 0.00 O ATOM 0 H GLU B 18 -4.220 -9.060 8.628 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.632 -8.723 9.596 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -2.697 -10.901 7.751 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.306 -11.031 8.809 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.780 -10.732 10.783 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -4.171 -10.602 9.725 1.00 0.00 H new ATOM 1167 N PRO B 19 0.033 -8.344 7.744 1.00 0.00 N ATOM 1168 CA PRO B 19 0.973 -7.939 6.694 1.00 0.00 C ATOM 1169 C PRO B 19 1.125 -9.005 5.615 1.00 0.00 C ATOM 1170 O PRO B 19 1.216 -8.694 4.427 1.00 0.00 O ATOM 1171 CB PRO B 19 2.299 -7.755 7.443 1.00 0.00 C ATOM 1172 CG PRO B 19 2.132 -8.504 8.716 1.00 0.00 C ATOM 1173 CD PRO B 19 0.681 -8.383 9.066 1.00 0.00 C ATOM 0 HA PRO B 19 0.635 -7.043 6.174 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.136 -8.144 6.864 1.00 0.00 H new ATOM 0 HB3 PRO B 19 2.503 -6.701 7.630 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.421 -9.548 8.597 1.00 0.00 H new ATOM 0 HG3 PRO B 19 2.761 -8.086 9.502 1.00 0.00 H new ATOM 0 HD2 PRO B 19 0.336 -9.228 9.662 1.00 0.00 H new ATOM 0 HD3 PRO B 19 0.477 -7.482 9.644 1.00 0.00 H new ATOM 1181 N SER B 20 1.156 -10.261 6.043 1.00 0.00 N ATOM 1182 CA SER B 20 1.302 -11.381 5.123 1.00 0.00 C ATOM 1183 C SER B 20 0.104 -11.473 4.184 1.00 0.00 C ATOM 1184 O SER B 20 0.208 -12.019 3.085 1.00 0.00 O ATOM 1185 CB SER B 20 1.459 -12.688 5.903 1.00 0.00 C ATOM 1186 OG SER B 20 2.585 -12.639 6.761 1.00 0.00 O ATOM 0 H SER B 20 1.082 -10.530 7.024 1.00 0.00 H new ATOM 0 HA SER B 20 2.197 -11.215 4.523 1.00 0.00 H new ATOM 0 HB2 SER B 20 0.559 -12.875 6.489 1.00 0.00 H new ATOM 0 HB3 SER B 20 1.565 -13.520 5.207 1.00 0.00 H new ATOM 0 HG SER B 20 2.662 -13.485 7.249 1.00 0.00 H new ATOM 1192 N ASP B 21 -1.031 -10.938 4.623 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.249 -10.960 3.820 1.00 0.00 C ATOM 1194 C ASP B 21 -1.994 -10.360 2.439 1.00 0.00 C ATOM 1195 O ASP B 21 -1.370 -9.306 2.316 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.367 -10.189 4.528 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.698 -10.290 3.807 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -4.768 -11.000 2.781 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -5.673 -9.664 4.272 1.00 0.00 O ATOM 0 H ASP B 21 -1.133 -10.484 5.531 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.558 -11.998 3.697 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -3.479 -10.570 5.543 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -3.083 -9.140 4.611 1.00 0.00 H new ATOM 1204 N THR B 22 -2.478 -11.042 1.405 1.00 0.00 N ATOM 1205 CA THR B 22 -2.302 -10.583 0.030 1.00 0.00 C ATOM 1206 C THR B 22 -2.852 -9.176 -0.164 1.00 0.00 C ATOM 1207 O THR B 22 -3.879 -8.815 0.410 1.00 0.00 O ATOM 1208 CB THR B 22 -2.992 -11.526 -0.971 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.388 -11.631 -0.667 1.00 0.00 O ATOM 1210 CG2 THR B 22 -2.357 -12.906 -0.942 1.00 0.00 C ATOM 0 H THR B 22 -2.996 -11.916 1.493 1.00 0.00 H new ATOM 0 HA THR B 22 -1.229 -10.579 -0.159 1.00 0.00 H new ATOM 0 HB THR B 22 -2.870 -11.108 -1.970 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.819 -12.232 -1.310 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.862 -13.554 -1.658 1.00 0.00 H new ATOM 0 HG22 THR B 22 -1.302 -12.827 -1.205 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.450 -13.328 0.058 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.163 -8.389 -0.986 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.586 -7.022 -1.268 1.00 0.00 C ATOM 1220 C ILE B 23 -3.995 -7.010 -1.848 1.00 0.00 C ATOM 1221 O ILE B 23 -4.812 -6.153 -1.511 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.633 -6.324 -2.259 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.205 -6.307 -1.706 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.112 -4.908 -2.549 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.803 -5.680 -2.647 1.00 0.00 C ATOM 0 H ILE B 23 -1.310 -8.675 -1.468 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.567 -6.479 -0.323 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.633 -6.885 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.196 -5.762 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE B 23 0.103 -7.329 -1.486 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.428 -4.429 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.111 -4.944 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.140 -4.336 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.792 -5.703 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.824 -6.239 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.520 -4.647 -2.847 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.268 -7.974 -2.719 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.569 -8.097 -3.353 1.00 0.00 C ATOM 1239 C GLU B 24 -6.672 -8.272 -2.312 1.00 0.00 C ATOM 1240 O GLU B 24 -7.725 -7.639 -2.397 1.00 0.00 O ATOM 1241 CB GLU B 24 -5.553 -9.282 -4.316 1.00 0.00 C ATOM 1242 CG GLU B 24 -6.919 -9.653 -4.857 1.00 0.00 C ATOM 1243 CD GLU B 24 -7.531 -8.567 -5.722 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -6.869 -7.530 -5.936 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -8.674 -8.757 -6.191 1.00 0.00 O ATOM 0 H GLU B 24 -3.596 -8.687 -3.003 1.00 0.00 H new ATOM 0 HA GLU B 24 -5.778 -7.182 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -4.893 -9.049 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -5.128 -10.146 -3.806 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -6.835 -10.570 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -7.588 -9.865 -4.023 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.424 -9.134 -1.332 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.395 -9.394 -0.275 1.00 0.00 C ATOM 1254 C ASN B 25 -7.618 -8.150 0.580 1.00 0.00 C ATOM 1255 O ASN B 25 -8.753 -7.807 0.909 1.00 0.00 O ATOM 1256 CB ASN B 25 -6.924 -10.555 0.604 1.00 0.00 C ATOM 1257 CG ASN B 25 -7.925 -10.916 1.683 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -8.261 -10.095 2.537 1.00 0.00 O ATOM 1259 ND2 ASN B 25 -8.409 -12.152 1.650 1.00 0.00 N ATOM 0 H ASN B 25 -5.557 -9.665 -1.247 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.341 -9.663 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -6.741 -11.428 -0.022 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -5.974 -10.291 1.069 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -9.087 -12.453 2.350 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -8.103 -12.800 0.924 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.526 -7.481 0.938 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.600 -6.277 1.759 1.00 0.00 C ATOM 1268 C VAL B 26 -7.442 -5.198 1.084 1.00 0.00 C ATOM 1269 O VAL B 26 -8.332 -4.615 1.703 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.194 -5.712 2.050 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -5.284 -4.441 2.874 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.343 -6.740 2.767 1.00 0.00 C ATOM 0 H VAL B 26 -5.579 -7.752 0.672 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.072 -6.563 2.699 1.00 0.00 H new ATOM 0 HB VAL B 26 -4.723 -5.473 1.096 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -4.281 -4.061 3.067 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -5.857 -3.692 2.327 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -5.779 -4.656 3.821 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.356 -6.322 2.963 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.817 -7.010 3.711 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -4.244 -7.629 2.144 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.158 -4.941 -0.189 1.00 0.00 N ATOM 1283 CA LYS B 27 -7.893 -3.934 -0.948 1.00 0.00 C ATOM 1284 C LYS B 27 -9.352 -4.345 -1.116 1.00 0.00 C ATOM 1285 O LYS B 27 -10.251 -3.503 -1.099 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.246 -3.718 -2.317 1.00 0.00 C ATOM 1287 CG LYS B 27 -5.781 -3.316 -2.241 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.206 -2.999 -3.614 1.00 0.00 C ATOM 1289 CE LYS B 27 -5.332 -4.179 -4.565 1.00 0.00 C ATOM 1290 NZ LYS B 27 -4.724 -3.890 -5.894 1.00 0.00 N ATOM 0 H LYS B 27 -6.425 -5.415 -0.717 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.859 -2.997 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.333 -4.635 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -7.799 -2.946 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.677 -2.445 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.207 -4.122 -1.785 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -5.723 -2.137 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.156 -2.723 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.848 -5.052 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.385 -4.430 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -4.920 -4.678 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.132 -3.014 -6.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -3.696 -3.776 -5.788 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.578 -5.646 -1.277 1.00 0.00 N ATOM 1305 CA ALA B 28 -10.926 -6.177 -1.445 1.00 0.00 C ATOM 1306 C ALA B 28 -11.838 -5.736 -0.306 1.00 0.00 C ATOM 1307 O ALA B 28 -13.029 -5.501 -0.505 1.00 0.00 O ATOM 1308 CB ALA B 28 -10.885 -7.695 -1.533 1.00 0.00 C ATOM 0 H ALA B 28 -8.843 -6.353 -1.295 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.334 -5.779 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -11.897 -8.080 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.275 -7.994 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.453 -8.101 -0.618 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.270 -5.622 0.888 1.00 0.00 N ATOM 1315 CA LYS B 29 -12.026 -5.203 2.059 1.00 0.00 C ATOM 1316 C LYS B 29 -12.324 -3.712 1.992 1.00 0.00 C ATOM 1317 O LYS B 29 -13.358 -3.254 2.474 1.00 0.00 O ATOM 1318 CB LYS B 29 -11.251 -5.540 3.336 1.00 0.00 C ATOM 1319 CG LYS B 29 -11.984 -5.169 4.614 1.00 0.00 C ATOM 1320 CD LYS B 29 -11.242 -5.666 5.844 1.00 0.00 C ATOM 1321 CE LYS B 29 -11.989 -5.323 7.123 1.00 0.00 C ATOM 1322 NZ LYS B 29 -11.256 -5.784 8.335 1.00 0.00 N ATOM 0 H LYS B 29 -10.285 -5.815 1.070 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.973 -5.742 2.076 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.037 -6.609 3.348 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -10.292 -5.023 3.315 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.098 -4.086 4.669 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.987 -5.594 4.596 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.109 -6.746 5.778 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.246 -5.223 5.873 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.139 -4.245 7.178 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.978 -5.782 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -11.907 -6.304 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.475 -6.409 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.874 -4.961 8.844 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.406 -2.959 1.390 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.567 -1.518 1.258 1.00 0.00 C ATOM 1338 C ILE B 30 -12.863 -1.166 0.534 1.00 0.00 C ATOM 1339 O ILE B 30 -13.589 -0.271 0.964 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.376 -0.880 0.516 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.080 -1.085 1.309 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -10.627 0.604 0.280 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -9.066 -0.382 2.650 1.00 0.00 C ATOM 0 H ILE B 30 -10.544 -3.326 0.987 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.606 -1.114 2.270 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.270 -1.369 -0.452 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -8.927 -2.153 1.467 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -8.240 -0.728 0.713 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -9.776 1.038 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.527 0.730 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -10.758 1.108 1.238 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -8.117 -0.574 3.151 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -9.187 0.691 2.500 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -9.884 -0.756 3.266 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.168 -1.876 -0.553 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.398 -1.615 -1.288 1.00 0.00 C ATOM 1357 C GLN B 31 -15.580 -1.955 -0.396 1.00 0.00 C ATOM 1358 O GLN B 31 -16.578 -1.239 -0.363 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.460 -2.413 -2.593 1.00 0.00 C ATOM 1360 CG GLN B 31 -14.652 -3.904 -2.400 1.00 0.00 C ATOM 1361 CD GLN B 31 -14.756 -4.652 -3.715 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -13.834 -5.579 -3.944 1.00 0.00 O flip ATOM 1363 NE2 GLN B 31 -15.655 -4.399 -4.517 1.00 0.00 N flip ATOM 0 H GLN B 31 -12.589 -2.623 -0.936 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.428 -0.560 -1.561 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -15.278 -2.028 -3.203 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -13.540 -2.246 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.817 -4.303 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -15.555 -4.078 -1.815 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -16.343 -3.678 -4.301 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -15.711 -4.910 -5.398 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.441 -3.038 0.360 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.479 -3.439 1.288 1.00 0.00 C ATOM 1374 C ASP B 32 -16.658 -2.328 2.310 1.00 0.00 C ATOM 1375 O ASP B 32 -17.757 -2.076 2.805 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.110 -4.749 1.985 1.00 0.00 C ATOM 1377 CG ASP B 32 -17.160 -5.187 2.987 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -18.321 -5.400 2.577 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -16.823 -5.315 4.183 1.00 0.00 O ATOM 0 H ASP B 32 -14.623 -3.647 0.346 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.410 -3.606 0.747 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -15.978 -5.531 1.237 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -15.154 -4.630 2.494 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.546 -1.659 2.595 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.512 -0.549 3.533 1.00 0.00 C ATOM 1386 C LYS B 33 -16.127 0.704 2.913 1.00 0.00 C ATOM 1387 O LYS B 33 -16.711 1.530 3.615 1.00 0.00 O ATOM 1388 CB LYS B 33 -14.068 -0.280 3.967 1.00 0.00 C ATOM 1389 CG LYS B 33 -13.491 -1.359 4.873 1.00 0.00 C ATOM 1390 CD LYS B 33 -14.255 -1.465 6.185 1.00 0.00 C ATOM 1391 CE LYS B 33 -14.166 -0.179 6.991 1.00 0.00 C ATOM 1392 NZ LYS B 33 -14.915 -0.274 8.275 1.00 0.00 N ATOM 0 H LYS B 33 -14.640 -1.875 2.179 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.102 -0.814 4.410 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.442 -0.190 3.079 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -14.026 0.678 4.485 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -13.519 -2.319 4.358 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -12.444 -1.138 5.079 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -15.301 -1.695 5.980 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -13.856 -2.292 6.773 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -13.120 0.048 7.197 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -14.562 0.647 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -14.829 0.623 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -15.918 -0.466 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -14.521 -1.046 8.850 1.00 0.00 H new ATOM 1406 N GLU B 34 -15.993 0.840 1.595 1.00 0.00 N ATOM 1407 CA GLU B 34 -16.540 1.993 0.886 1.00 0.00 C ATOM 1408 C GLU B 34 -17.172 1.576 -0.440 1.00 0.00 C ATOM 1409 O GLU B 34 -18.381 1.715 -0.628 1.00 0.00 O ATOM 1410 CB GLU B 34 -15.445 3.035 0.633 1.00 0.00 C ATOM 1411 CG GLU B 34 -15.950 4.302 -0.043 1.00 0.00 C ATOM 1412 CD GLU B 34 -16.934 5.076 0.814 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -17.987 4.509 1.173 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -16.652 6.251 1.125 1.00 0.00 O ATOM 0 H GLU B 34 -15.511 0.167 0.998 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.315 2.432 1.514 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -14.982 3.301 1.583 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -14.667 2.589 0.013 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -15.102 4.943 -0.282 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -16.427 4.039 -0.987 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.356 1.059 -1.356 1.00 0.00 N ATOM 1422 CA GLY B 35 -16.873 0.629 -2.644 1.00 0.00 C ATOM 1423 C GLY B 35 -15.816 0.605 -3.732 1.00 0.00 C ATOM 1424 O GLY B 35 -15.877 -0.215 -4.648 1.00 0.00 O ATOM 0 H GLY B 35 -15.352 0.931 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.303 -0.367 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -17.681 1.296 -2.945 1.00 0.00 H new ATOM 1428 N ILE B 36 -14.861 1.523 -3.640 1.00 0.00 N ATOM 1429 CA ILE B 36 -13.793 1.632 -4.631 1.00 0.00 C ATOM 1430 C ILE B 36 -13.153 0.288 -4.945 1.00 0.00 C ATOM 1431 O ILE B 36 -12.648 -0.392 -4.052 1.00 0.00 O ATOM 1432 CB ILE B 36 -12.663 2.582 -4.180 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -12.974 3.229 -2.828 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -12.411 3.636 -5.241 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -12.856 2.271 -1.660 1.00 0.00 C ATOM 0 H ILE B 36 -14.803 2.207 -2.885 1.00 0.00 H new ATOM 0 HA ILE B 36 -14.283 2.030 -5.519 1.00 0.00 H new ATOM 0 HB ILE B 36 -11.757 1.990 -4.052 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -12.296 4.067 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -13.984 3.637 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -11.612 4.300 -4.912 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -12.119 3.152 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -13.320 4.215 -5.402 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -13.090 2.796 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.554 1.445 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.839 1.882 -1.610 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.141 -0.100 -6.233 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.531 -1.350 -6.671 1.00 0.00 C ATOM 1449 C PRO B 37 -11.128 -1.517 -6.095 1.00 0.00 C ATOM 1450 O PRO B 37 -10.353 -0.560 -6.054 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.457 -1.217 -8.200 1.00 0.00 C ATOM 1452 CG PRO B 37 -12.909 0.168 -8.530 1.00 0.00 C ATOM 1453 CD PRO B 37 -13.707 0.655 -7.356 1.00 0.00 C ATOM 0 HA PRO B 37 -13.102 -2.218 -6.341 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.441 -1.388 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -13.093 -1.958 -8.685 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -12.055 0.820 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -13.514 0.171 -9.437 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.600 1.730 -7.214 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -14.771 0.455 -7.481 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.779 -2.729 -5.637 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.460 -3.002 -5.059 1.00 0.00 C ATOM 1463 C PRO B 38 -8.322 -2.586 -5.985 1.00 0.00 C ATOM 1464 O PRO B 38 -7.305 -2.055 -5.538 1.00 0.00 O ATOM 1465 CB PRO B 38 -9.460 -4.520 -4.864 1.00 0.00 C ATOM 1466 CG PRO B 38 -10.899 -4.890 -4.757 1.00 0.00 C ATOM 1467 CD PRO B 38 -11.640 -3.927 -5.641 1.00 0.00 C ATOM 0 HA PRO B 38 -9.298 -2.441 -4.139 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.983 -5.027 -5.703 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.911 -4.803 -3.966 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -11.062 -5.919 -5.077 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.245 -4.819 -3.726 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.771 -4.324 -6.647 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.635 -3.708 -5.253 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.499 -2.835 -7.278 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.488 -2.496 -8.270 1.00 0.00 C ATOM 1477 C ASP B 39 -7.334 -0.985 -8.423 1.00 0.00 C ATOM 1478 O ASP B 39 -6.230 -0.490 -8.649 1.00 0.00 O ATOM 1479 CB ASP B 39 -7.840 -3.122 -9.621 1.00 0.00 C ATOM 1480 CG ASP B 39 -7.938 -4.633 -9.550 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -8.818 -5.137 -8.822 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -7.132 -5.311 -10.220 1.00 0.00 O ATOM 0 H ASP B 39 -9.336 -3.272 -7.663 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.537 -2.898 -7.921 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -8.789 -2.715 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.084 -2.844 -10.355 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.442 -0.257 -8.314 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.411 1.193 -8.459 1.00 0.00 C ATOM 1489 C GLN B 40 -7.515 1.833 -7.402 1.00 0.00 C ATOM 1490 O GLN B 40 -6.829 2.819 -7.673 1.00 0.00 O ATOM 1491 CB GLN B 40 -9.823 1.778 -8.367 1.00 0.00 C ATOM 1492 CG GLN B 40 -9.890 3.243 -8.771 1.00 0.00 C ATOM 1493 CD GLN B 40 -11.257 3.869 -8.561 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -12.196 3.096 -8.034 1.00 0.00 O flip ATOM 1495 NE2 GLN B 40 -11.464 5.044 -8.866 1.00 0.00 N flip ATOM 0 H GLN B 40 -9.366 -0.645 -8.127 1.00 0.00 H new ATOM 0 HA GLN B 40 -7.999 1.416 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.491 1.200 -9.006 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -10.188 1.672 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -9.151 3.803 -8.198 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -9.615 3.335 -9.822 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -10.714 5.606 -9.269 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.385 5.455 -8.715 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.533 1.270 -6.197 1.00 0.00 N ATOM 1505 CA GLN B 41 -6.729 1.788 -5.094 1.00 0.00 C ATOM 1506 C GLN B 41 -5.248 1.821 -5.456 1.00 0.00 C ATOM 1507 O GLN B 41 -4.703 0.844 -5.970 1.00 0.00 O ATOM 1508 CB GLN B 41 -6.946 0.934 -3.850 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.384 0.943 -3.362 1.00 0.00 C ATOM 1510 CD GLN B 41 -8.625 -0.054 -2.251 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -7.959 -0.020 -1.216 1.00 0.00 O ATOM 1512 NE2 GLN B 41 -9.584 -0.947 -2.460 1.00 0.00 N ATOM 0 H GLN B 41 -8.097 0.454 -5.959 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.047 2.811 -4.892 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.649 -0.092 -4.065 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.296 1.294 -3.052 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.639 1.943 -3.010 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -9.049 0.720 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -10.109 -0.936 -3.334 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -9.796 -1.644 -1.746 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.606 2.954 -5.187 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.194 3.119 -5.488 1.00 0.00 C ATOM 1523 C ARG B 42 -2.316 2.727 -4.303 1.00 0.00 C ATOM 1524 O ARG B 42 -2.502 3.221 -3.190 1.00 0.00 O ATOM 1525 CB ARG B 42 -2.904 4.566 -5.894 1.00 0.00 C ATOM 1526 CG ARG B 42 -1.449 4.818 -6.257 1.00 0.00 C ATOM 1527 CD ARG B 42 -1.214 6.266 -6.650 1.00 0.00 C ATOM 1528 NE ARG B 42 -1.547 7.188 -5.567 1.00 0.00 N ATOM 1529 CZ ARG B 42 -1.425 8.510 -5.660 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -0.980 9.061 -6.781 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -1.749 9.280 -4.631 1.00 0.00 N ATOM 0 H ARG B 42 -5.045 3.770 -4.761 1.00 0.00 H new ATOM 0 HA ARG B 42 -2.955 2.455 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.532 4.828 -6.745 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.185 5.227 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -0.812 4.562 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -1.161 4.165 -7.081 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -0.170 6.400 -6.932 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -1.815 6.506 -7.528 1.00 0.00 H new ATOM 0 HE ARG B 42 -1.892 6.797 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -0.730 8.471 -7.575 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -0.888 10.074 -6.849 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -2.092 8.859 -3.767 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -1.655 10.293 -4.703 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.349 1.850 -4.555 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.428 1.404 -3.514 1.00 0.00 C ATOM 1547 C LEU B 43 0.610 2.476 -3.210 1.00 0.00 C ATOM 1548 O LEU B 43 1.235 3.024 -4.119 1.00 0.00 O ATOM 1549 CB LEU B 43 0.266 0.105 -3.935 1.00 0.00 C ATOM 1550 CG LEU B 43 -0.485 -1.182 -3.578 1.00 0.00 C ATOM 1551 CD1 LEU B 43 -1.926 -1.121 -4.058 1.00 0.00 C ATOM 1552 CD2 LEU B 43 0.223 -2.393 -4.166 1.00 0.00 C ATOM 0 H LEU B 43 -1.183 1.434 -5.471 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.006 1.219 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.422 0.128 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.252 0.072 -3.471 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.494 -1.279 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.437 -2.046 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.431 -0.279 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.944 -0.994 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.324 -3.298 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.266 -2.298 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU B 43 1.235 -2.452 -3.767 1.00 0.00 H new ATOM 1564 N ILE B 44 0.789 2.770 -1.927 1.00 0.00 N ATOM 1565 CA ILE B 44 1.752 3.776 -1.500 1.00 0.00 C ATOM 1566 C ILE B 44 2.426 3.367 -0.195 1.00 0.00 C ATOM 1567 O ILE B 44 1.767 2.922 0.745 1.00 0.00 O ATOM 1568 CB ILE B 44 1.085 5.153 -1.322 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.471 5.612 -2.645 1.00 0.00 C ATOM 1570 CG2 ILE B 44 2.095 6.173 -0.813 1.00 0.00 C ATOM 1571 CD1 ILE B 44 -0.265 6.929 -2.552 1.00 0.00 C ATOM 0 H ILE B 44 0.279 2.325 -1.164 1.00 0.00 H new ATOM 0 HA ILE B 44 2.506 3.851 -2.284 1.00 0.00 H new ATOM 0 HB ILE B 44 0.290 5.066 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.261 5.700 -3.390 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.218 4.846 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.607 7.140 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.491 5.845 0.148 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.911 6.265 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.672 7.188 -3.529 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.078 6.841 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.424 7.709 -2.228 1.00 0.00 H new ATOM 1583 N PHE B 45 3.746 3.513 -0.151 1.00 0.00 N ATOM 1584 CA PHE B 45 4.522 3.151 1.029 1.00 0.00 C ATOM 1585 C PHE B 45 5.449 4.297 1.425 1.00 0.00 C ATOM 1586 O PHE B 45 6.007 4.971 0.559 1.00 0.00 O ATOM 1587 CB PHE B 45 5.343 1.885 0.757 1.00 0.00 C ATOM 1588 CG PHE B 45 4.528 0.717 0.268 1.00 0.00 C ATOM 1589 CD1 PHE B 45 3.970 0.723 -1.001 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.318 -0.384 1.081 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.220 -0.348 -1.450 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.568 -1.458 0.637 1.00 0.00 C ATOM 1593 CZ PHE B 45 3.019 -1.439 -0.630 1.00 0.00 C ATOM 0 H PHE B 45 4.302 3.881 -0.922 1.00 0.00 H new ATOM 0 HA PHE B 45 3.833 2.955 1.850 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.110 2.114 0.017 1.00 0.00 H new ATOM 0 HB3 PHE B 45 5.859 1.596 1.672 1.00 0.00 H new ATOM 0 HD1 PHE B 45 4.123 1.575 -1.647 1.00 0.00 H new ATOM 0 HD2 PHE B 45 4.745 -0.404 2.073 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.792 -0.331 -2.441 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.412 -2.311 1.281 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.433 -2.277 -0.978 1.00 0.00 H new ATOM 1603 N ALA B 46 5.613 4.526 2.727 1.00 0.00 N ATOM 1604 CA ALA B 46 6.481 5.609 3.187 1.00 0.00 C ATOM 1605 C ALA B 46 7.029 5.349 4.585 1.00 0.00 C ATOM 1606 O ALA B 46 6.274 5.161 5.539 1.00 0.00 O ATOM 1607 CB ALA B 46 5.730 6.930 3.154 1.00 0.00 C ATOM 0 H ALA B 46 5.166 3.988 3.469 1.00 0.00 H new ATOM 0 HA ALA B 46 7.332 5.658 2.508 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.385 7.730 3.498 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.407 7.139 2.134 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.858 6.869 3.806 1.00 0.00 H new ATOM 1613 N GLY B 47 8.355 5.353 4.696 1.00 0.00 N ATOM 1614 CA GLY B 47 8.997 5.127 5.976 1.00 0.00 C ATOM 1615 C GLY B 47 8.816 6.293 6.928 1.00 0.00 C ATOM 1616 O GLY B 47 8.930 7.452 6.527 1.00 0.00 O ATOM 0 H GLY B 47 8.996 5.509 3.919 1.00 0.00 H new ATOM 0 HA2 GLY B 47 8.588 4.224 6.430 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.061 4.951 5.819 1.00 0.00 H new