USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 517 hydrogens (19 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 NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 801 ZNZN :(H bumps) USER MOD NoAdj-H: C 4 MLY H2 : C 4 MLY N : C 3 THR C :(H bumps) USER MOD NoAdj-H: C 4 MLY H : C 4 MLY N : C 3 THR C :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot 180:sc= 0.0204 USER MOD Set 1.2: A 52 GLN : amide:sc= 0 X(o=0.02,f=-0.0015) USER MOD Set 2.1: A 28 CYS SG : rot -100:sc= -1! USER MOD Set 2.2: A 30 GLN : amide:sc= -2.57! K(o=-3.3!,f=-6.7) USER MOD Set 2.3: A 46 TYR OH : rot -162:sc= 0.24 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 171:sc= 0 (180deg=-0.08) USER MOD Single : A -2 HIS : no HD1:sc= 0.0716 K(o=0.072,f=-0.92) USER MOD Single : A -3 GLY N :NH3+ 136:sc= 0.00354 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0.0971 K(o=0.097,f=-0.69) USER MOD Single : A 17 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.22) USER MOD Single : A 20 MET CE :methyl 138:sc= -2.58! (180deg=-7.6!) USER MOD Single : A 22 GLN : amide:sc= 2.32 K(o=2.3,f=-5.2!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.383 (180deg=-1.2) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 45 LYS NZ :NH3+ -137:sc= 1.25 (180deg=0.507) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 ALA N :NH3+ 178:sc= 0.702 (180deg=0.7) USER MOD Single : C 3 THR OG1 : rot 180:sc= 0 USER MOD Single : C 5 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.29) USER MOD Single : C 6 THR OG1 : rot 180:sc= 0 USER MOD Single : C 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 10 SER OG : rot 180:sc= 0 USER MOD Single : C 11 THR OG1 : rot 26:sc= 0.0705 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 8.524 0.331 3.287 1.00 0.00 N ATOM 2 CA GLY A -3 7.875 -0.765 2.520 1.00 0.00 C ATOM 3 C GLY A -3 8.887 -1.793 2.029 1.00 0.00 C ATOM 4 O GLY A -3 9.981 -1.431 1.599 1.00 0.00 O ATOM 0 H1 GLY A -3 8.128 1.245 2.989 1.00 0.00 H new ATOM 0 H2 GLY A -3 8.351 0.193 4.303 1.00 0.00 H new ATOM 0 H3 GLY A -3 9.548 0.322 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A -3 7.133 -1.258 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A -3 7.342 -0.345 1.667 1.00 0.00 H new ATOM 10 N HIS A -2 8.525 -3.081 2.056 1.00 0.00 N ATOM 11 CA HIS A -2 9.422 -4.234 1.821 1.00 0.00 C ATOM 12 C HIS A -2 10.057 -4.317 0.419 1.00 0.00 C ATOM 13 O HIS A -2 11.061 -5.008 0.241 1.00 0.00 O ATOM 14 CB HIS A -2 8.642 -5.530 2.116 1.00 0.00 C ATOM 15 CG HIS A -2 8.022 -5.591 3.495 1.00 0.00 C ATOM 16 ND1 HIS A -2 6.854 -4.928 3.894 1.00 0.00 N ATOM 17 CD2 HIS A -2 8.507 -6.301 4.554 1.00 0.00 C ATOM 18 CE1 HIS A -2 6.666 -5.256 5.184 1.00 0.00 C ATOM 19 NE2 HIS A -2 7.642 -6.079 5.607 1.00 0.00 N ATOM 0 H HIS A -2 7.565 -3.367 2.249 1.00 0.00 H new ATOM 0 HA HIS A -2 10.267 -4.095 2.496 1.00 0.00 H new ATOM 0 HB2 HIS A -2 7.853 -5.641 1.372 1.00 0.00 H new ATOM 0 HB3 HIS A -2 9.315 -6.379 1.997 1.00 0.00 H new ATOM 0 HD2 HIS A -2 9.394 -6.917 4.566 1.00 0.00 H new ATOM 0 HE1 HIS A -2 5.846 -4.908 5.795 1.00 0.00 H new ATOM 0 HE2 HIS A -2 7.728 -6.472 6.544 1.00 0.00 H new ATOM 27 N MET A -1 9.502 -3.608 -0.573 1.00 0.00 N ATOM 28 CA MET A -1 9.992 -3.599 -1.963 1.00 0.00 C ATOM 29 C MET A -1 11.395 -3.020 -2.148 1.00 0.00 C ATOM 30 O MET A -1 12.131 -3.463 -3.028 1.00 0.00 O ATOM 31 CB MET A -1 9.049 -2.725 -2.821 1.00 0.00 C ATOM 32 CG MET A -1 8.742 -1.309 -2.283 1.00 0.00 C ATOM 33 SD MET A -1 7.574 -0.344 -3.286 1.00 0.00 S ATOM 34 CE MET A -1 6.023 -1.235 -2.978 1.00 0.00 C ATOM 0 H MET A -1 8.685 -3.013 -0.432 1.00 0.00 H new ATOM 0 HA MET A -1 10.020 -4.647 -2.261 1.00 0.00 H new ATOM 0 HB2 MET A -1 9.486 -2.625 -3.814 1.00 0.00 H new ATOM 0 HB3 MET A -1 8.105 -3.257 -2.940 1.00 0.00 H new ATOM 0 HG2 MET A -1 8.342 -1.399 -1.273 1.00 0.00 H new ATOM 0 HG3 MET A -1 9.677 -0.755 -2.207 1.00 0.00 H new ATOM 0 HE1 MET A -1 5.190 -0.670 -3.396 1.00 0.00 H new ATOM 0 HE2 MET A -1 6.068 -2.217 -3.449 1.00 0.00 H new ATOM 0 HE3 MET A -1 5.879 -1.354 -1.904 1.00 0.00 H new ATOM 44 N ASP A 0 11.747 -2.005 -1.354 1.00 0.00 N ATOM 45 CA ASP A 0 12.947 -1.163 -1.542 1.00 0.00 C ATOM 46 C ASP A 0 13.088 -0.574 -2.962 1.00 0.00 C ATOM 47 O ASP A 0 14.132 -0.035 -3.312 1.00 0.00 O ATOM 48 CB ASP A 0 14.235 -1.894 -1.116 1.00 0.00 C ATOM 49 CG ASP A 0 14.439 -2.020 0.406 1.00 0.00 C ATOM 50 OD1 ASP A 0 15.264 -2.868 0.824 1.00 0.00 O ATOM 51 OD2 ASP A 0 13.802 -1.285 1.197 1.00 0.00 O1- ATOM 0 H ASP A 0 11.196 -1.734 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 0 12.799 -0.311 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 0 14.228 -2.894 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 0 15.090 -1.368 -1.540 1.00 0.00 H new ATOM 56 N ARG A 1 12.020 -0.678 -3.761 1.00 0.00 N ATOM 57 CA ARG A 1 11.899 -0.418 -5.221 1.00 0.00 C ATOM 58 C ARG A 1 12.786 -1.308 -6.111 1.00 0.00 C ATOM 59 O ARG A 1 12.869 -1.098 -7.321 1.00 0.00 O ATOM 60 CB ARG A 1 11.994 1.092 -5.485 1.00 0.00 C ATOM 61 CG ARG A 1 13.419 1.656 -5.665 1.00 0.00 C ATOM 62 CD ARG A 1 13.713 2.756 -4.643 1.00 0.00 C ATOM 63 NE ARG A 1 15.076 3.310 -4.751 1.00 0.00 N ATOM 64 CZ ARG A 1 16.154 2.929 -4.089 1.00 0.00 C ATOM 65 NH1 ARG A 1 16.146 1.933 -3.250 1.00 0.00 N1+ ATOM 66 NH2 ARG A 1 17.283 3.556 -4.264 1.00 0.00 N ATOM 0 H ARG A 1 11.124 -0.975 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 1 10.906 -0.736 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.417 1.322 -6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.518 1.617 -4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.147 0.852 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.530 2.054 -6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.990 3.562 -4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.570 2.356 -3.639 1.00 0.00 H new ATOM 0 HE ARG A 1 15.201 4.076 -5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.284 1.414 -3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.002 1.672 -2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 1 17.335 4.342 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 1 18.115 3.261 -3.752 1.00 0.00 H new ATOM 80 N TYR A 2 13.436 -2.307 -5.506 1.00 0.00 N ATOM 81 CA TYR A 2 14.344 -3.261 -6.145 1.00 0.00 C ATOM 82 C TYR A 2 13.610 -4.486 -6.720 1.00 0.00 C ATOM 83 O TYR A 2 12.581 -4.924 -6.201 1.00 0.00 O ATOM 84 CB TYR A 2 15.373 -3.728 -5.104 1.00 0.00 C ATOM 85 CG TYR A 2 16.630 -2.878 -4.992 1.00 0.00 C ATOM 86 CD1 TYR A 2 16.552 -1.470 -4.993 1.00 0.00 C ATOM 87 CD2 TYR A 2 17.893 -3.495 -4.885 1.00 0.00 C ATOM 88 CE1 TYR A 2 17.710 -0.682 -4.889 1.00 0.00 C ATOM 89 CE2 TYR A 2 19.061 -2.711 -4.781 1.00 0.00 C ATOM 90 CZ TYR A 2 18.975 -1.302 -4.785 1.00 0.00 C ATOM 91 OH TYR A 2 20.110 -0.555 -4.689 1.00 0.00 O ATOM 0 H TYR A 2 13.337 -2.480 -4.506 1.00 0.00 H new ATOM 0 HA TYR A 2 14.827 -2.755 -6.981 1.00 0.00 H new ATOM 0 HB2 TYR A 2 14.888 -3.757 -4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 2 15.668 -4.750 -5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 2 15.588 -0.991 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 2 17.967 -4.572 -4.883 1.00 0.00 H new ATOM 0 HE1 TYR A 2 17.633 0.395 -4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 2 20.025 -3.191 -4.698 1.00 0.00 H new ATOM 0 HH TYR A 2 20.887 -1.148 -4.624 1.00 0.00 H new ATOM 101 N ASP A 3 14.186 -5.074 -7.773 1.00 0.00 N ATOM 102 CA ASP A 3 13.766 -6.369 -8.321 1.00 0.00 C ATOM 103 C ASP A 3 14.574 -7.515 -7.679 1.00 0.00 C ATOM 104 O ASP A 3 15.788 -7.625 -7.878 1.00 0.00 O ATOM 105 CB ASP A 3 13.904 -6.368 -9.851 1.00 0.00 C ATOM 106 CG ASP A 3 13.048 -5.292 -10.543 1.00 0.00 C ATOM 107 OD1 ASP A 3 11.868 -5.103 -10.160 1.00 0.00 O ATOM 108 OD2 ASP A 3 13.558 -4.635 -11.484 1.00 0.00 O1- ATOM 0 H ASP A 3 14.969 -4.658 -8.277 1.00 0.00 H new ATOM 0 HA ASP A 3 12.716 -6.532 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.950 -6.213 -10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.621 -7.348 -10.234 1.00 0.00 H new ATOM 113 N PHE A 4 13.892 -8.377 -6.921 1.00 0.00 N ATOM 114 CA PHE A 4 14.440 -9.555 -6.249 1.00 0.00 C ATOM 115 C PHE A 4 13.760 -10.855 -6.703 1.00 0.00 C ATOM 116 O PHE A 4 12.606 -10.868 -7.134 1.00 0.00 O ATOM 117 CB PHE A 4 14.275 -9.378 -4.731 1.00 0.00 C ATOM 118 CG PHE A 4 15.067 -8.260 -4.075 1.00 0.00 C ATOM 119 CD1 PHE A 4 16.477 -8.267 -4.118 1.00 0.00 C ATOM 120 CD2 PHE A 4 14.397 -7.215 -3.404 1.00 0.00 C ATOM 121 CE1 PHE A 4 17.208 -7.256 -3.467 1.00 0.00 C ATOM 122 CE2 PHE A 4 15.129 -6.209 -2.749 1.00 0.00 C ATOM 123 CZ PHE A 4 16.536 -6.233 -2.775 1.00 0.00 C ATOM 0 H PHE A 4 12.892 -8.266 -6.752 1.00 0.00 H new ATOM 0 HA PHE A 4 15.494 -9.639 -6.514 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.218 -9.211 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.551 -10.316 -4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 4 16.996 -9.049 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.317 -7.188 -3.394 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.287 -7.266 -3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.612 -5.418 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.099 -5.466 -2.264 1.00 0.00 H new ATOM 133 N GLU A 5 14.469 -11.975 -6.544 1.00 0.00 N ATOM 134 CA GLU A 5 13.971 -13.333 -6.778 1.00 0.00 C ATOM 135 C GLU A 5 12.944 -13.640 -5.665 1.00 0.00 C ATOM 136 O GLU A 5 13.295 -13.906 -4.513 1.00 0.00 O ATOM 137 CB GLU A 5 15.180 -14.328 -6.800 1.00 0.00 C ATOM 138 CG GLU A 5 16.559 -13.773 -7.214 1.00 0.00 C ATOM 139 CD GLU A 5 16.586 -13.174 -8.634 1.00 0.00 C ATOM 140 OE1 GLU A 5 16.045 -13.804 -9.574 1.00 0.00 O ATOM 141 OE2 GLU A 5 17.154 -12.068 -8.812 1.00 0.00 O1- ATOM 0 H GLU A 5 15.442 -11.961 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 5 13.473 -13.436 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.278 -14.759 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.930 -15.144 -7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.861 -13.007 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.296 -14.574 -7.153 1.00 0.00 H new ATOM 148 N VAL A 6 11.655 -13.569 -6.021 1.00 0.00 N ATOM 149 CA VAL A 6 10.519 -13.595 -5.079 1.00 0.00 C ATOM 150 C VAL A 6 9.438 -14.533 -5.554 1.00 0.00 C ATOM 151 O VAL A 6 8.733 -14.223 -6.498 1.00 0.00 O ATOM 152 CB VAL A 6 9.971 -12.161 -4.893 1.00 0.00 C ATOM 153 CG1 VAL A 6 8.642 -12.108 -4.121 1.00 0.00 C ATOM 154 CG2 VAL A 6 10.957 -11.275 -4.128 1.00 0.00 C ATOM 0 H VAL A 6 11.362 -13.490 -6.995 1.00 0.00 H new ATOM 0 HA VAL A 6 10.868 -13.968 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 6 9.816 -11.799 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.316 -11.072 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.886 -12.679 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.781 -12.535 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.537 -10.275 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.141 -11.703 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.896 -11.215 -4.679 1.00 0.00 H new ATOM 164 N VAL A 7 9.243 -15.670 -4.903 1.00 0.00 N ATOM 165 CA VAL A 7 8.202 -16.624 -5.316 1.00 0.00 C ATOM 166 C VAL A 7 6.833 -16.074 -4.910 1.00 0.00 C ATOM 167 O VAL A 7 6.402 -16.175 -3.764 1.00 0.00 O ATOM 168 CB VAL A 7 8.435 -18.022 -4.715 1.00 0.00 C ATOM 169 CG1 VAL A 7 7.296 -18.975 -5.070 1.00 0.00 C ATOM 170 CG2 VAL A 7 9.697 -18.670 -5.284 1.00 0.00 C ATOM 0 H VAL A 7 9.785 -15.962 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 7 8.243 -16.739 -6.399 1.00 0.00 H new ATOM 0 HB VAL A 7 8.513 -17.871 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.490 -19.954 -4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.357 -18.582 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.226 -19.071 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.832 -19.656 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.599 -18.770 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.561 -18.047 -5.055 1.00 0.00 H new ATOM 180 N ARG A 8 6.133 -15.482 -5.875 1.00 0.00 N ATOM 181 CA ARG A 8 4.792 -14.911 -5.722 1.00 0.00 C ATOM 182 C ARG A 8 3.880 -15.493 -6.780 1.00 0.00 C ATOM 183 O ARG A 8 3.802 -14.972 -7.884 1.00 0.00 O ATOM 184 CB ARG A 8 4.869 -13.376 -5.798 1.00 0.00 C ATOM 185 CG ARG A 8 4.731 -12.727 -4.423 1.00 0.00 C ATOM 186 CD ARG A 8 4.910 -11.201 -4.619 1.00 0.00 C ATOM 187 NE ARG A 8 4.080 -10.385 -3.694 1.00 0.00 N ATOM 188 CZ ARG A 8 4.216 -10.245 -2.385 1.00 0.00 C ATOM 189 NH1 ARG A 8 5.161 -10.834 -1.706 1.00 0.00 N1+ ATOM 190 NH2 ARG A 8 3.384 -9.497 -1.721 1.00 0.00 N ATOM 0 H ARG A 8 6.496 -15.382 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 8 4.378 -15.166 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.819 -13.082 -6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.081 -13.006 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.756 -12.948 -3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.481 -13.118 -3.736 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.960 -10.944 -4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.656 -10.942 -5.647 1.00 0.00 H new ATOM 0 HE ARG A 8 3.311 -9.869 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.835 -11.432 -2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.226 -10.696 -0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.627 -9.019 -2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.489 -9.389 -0.712 1.00 0.00 H new ATOM 204 N CYS A 9 3.251 -16.606 -6.425 1.00 0.00 N ATOM 205 CA CYS A 9 2.175 -17.227 -7.206 1.00 0.00 C ATOM 206 C CYS A 9 0.788 -16.735 -6.764 1.00 0.00 C ATOM 207 O CYS A 9 0.610 -16.366 -5.607 1.00 0.00 O ATOM 208 CB CYS A 9 2.298 -18.760 -7.100 1.00 0.00 C ATOM 209 SG CYS A 9 1.127 -19.622 -8.209 1.00 0.00 S ATOM 0 H CYS A 9 3.475 -17.117 -5.571 1.00 0.00 H new ATOM 0 HA CYS A 9 2.280 -16.932 -8.250 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.317 -19.059 -7.346 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.115 -19.068 -6.070 1.00 0.00 H new ATOM 214 N ILE A 10 -0.232 -16.884 -7.629 1.00 0.00 N ATOM 215 CA ILE A 10 -1.669 -16.686 -7.298 1.00 0.00 C ATOM 216 C ILE A 10 -2.145 -17.516 -6.099 1.00 0.00 C ATOM 217 O ILE A 10 -3.191 -17.264 -5.505 1.00 0.00 O ATOM 218 CB ILE A 10 -2.582 -17.042 -8.491 1.00 0.00 C ATOM 219 CG1 ILE A 10 -2.357 -18.406 -9.195 1.00 0.00 C ATOM 220 CG2 ILE A 10 -2.421 -15.915 -9.505 1.00 0.00 C ATOM 221 CD1 ILE A 10 -2.746 -19.668 -8.416 1.00 0.00 C ATOM 0 H ILE A 10 -0.084 -17.152 -8.602 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.744 -15.628 -7.048 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.585 -17.150 -8.079 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.917 -18.400 -10.130 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.301 -18.482 -9.456 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.047 -16.115 -10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.722 -14.971 -9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.378 -15.852 -9.816 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.537 -20.549 -9.023 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.169 -19.718 -7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.809 -19.635 -8.178 1.00 0.00 H new ATOM 233 N CYS A 11 -1.339 -18.520 -5.771 1.00 0.00 N ATOM 234 CA CYS A 11 -1.507 -19.431 -4.652 1.00 0.00 C ATOM 235 C CYS A 11 -1.239 -18.709 -3.301 1.00 0.00 C ATOM 236 O CYS A 11 -1.555 -19.253 -2.244 1.00 0.00 O ATOM 237 CB CYS A 11 -0.499 -20.586 -4.864 1.00 0.00 C ATOM 238 SG CYS A 11 -0.857 -21.991 -5.912 1.00 0.00 S ATOM 0 H CYS A 11 -0.501 -18.729 -6.314 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.529 -19.807 -4.610 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.416 -20.135 -5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.268 -20.984 -3.876 1.00 0.00 H new ATOM 243 N GLU A 12 -0.608 -17.515 -3.330 1.00 0.00 N ATOM 244 CA GLU A 12 -0.115 -16.726 -2.188 1.00 0.00 C ATOM 245 C GLU A 12 0.746 -17.545 -1.223 1.00 0.00 C ATOM 246 O GLU A 12 0.705 -17.412 0.002 1.00 0.00 O ATOM 247 CB GLU A 12 -1.271 -15.943 -1.543 1.00 0.00 C ATOM 248 CG GLU A 12 -1.852 -14.880 -2.491 1.00 0.00 C ATOM 249 CD GLU A 12 -2.921 -13.993 -1.813 1.00 0.00 C ATOM 250 OE1 GLU A 12 -3.718 -14.492 -0.977 1.00 0.00 O ATOM 251 OE2 GLU A 12 -2.979 -12.778 -2.121 1.00 0.00 O1- ATOM 0 H GLU A 12 -0.418 -17.047 -4.216 1.00 0.00 H new ATOM 0 HA GLU A 12 0.585 -15.975 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.059 -16.637 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.917 -15.461 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.044 -14.249 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.292 -15.374 -3.357 1.00 0.00 H new ATOM 258 N VAL A 13 1.536 -18.424 -1.838 1.00 0.00 N ATOM 259 CA VAL A 13 2.505 -19.314 -1.223 1.00 0.00 C ATOM 260 C VAL A 13 3.859 -19.111 -1.898 1.00 0.00 C ATOM 261 O VAL A 13 3.947 -19.009 -3.122 1.00 0.00 O ATOM 262 CB VAL A 13 1.967 -20.756 -1.288 1.00 0.00 C ATOM 263 CG1 VAL A 13 2.269 -21.479 -2.604 1.00 0.00 C ATOM 264 CG2 VAL A 13 2.489 -21.587 -0.114 1.00 0.00 C ATOM 0 H VAL A 13 1.509 -18.537 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 13 2.656 -19.093 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 13 0.883 -20.659 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.857 -22.487 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.818 -20.932 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.348 -21.533 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.095 -22.601 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.578 -21.618 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.166 -21.135 0.824 1.00 0.00 H new ATOM 274 N GLN A 14 4.916 -19.088 -1.101 1.00 0.00 N ATOM 275 CA GLN A 14 6.307 -19.117 -1.587 1.00 0.00 C ATOM 276 C GLN A 14 6.833 -20.570 -1.813 1.00 0.00 C ATOM 277 O GLN A 14 8.024 -20.784 -2.036 1.00 0.00 O ATOM 278 CB GLN A 14 7.225 -18.340 -0.635 1.00 0.00 C ATOM 279 CG GLN A 14 7.069 -16.809 -0.611 1.00 0.00 C ATOM 280 CD GLN A 14 5.652 -16.324 -0.318 1.00 0.00 C ATOM 281 OE1 GLN A 14 5.221 -16.242 0.825 1.00 0.00 O ATOM 282 NE2 GLN A 14 4.867 -15.991 -1.321 1.00 0.00 N ATOM 0 H GLN A 14 4.842 -19.048 -0.084 1.00 0.00 H new ATOM 0 HA GLN A 14 6.317 -18.628 -2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.060 -18.714 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.258 -18.572 -0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.743 -16.399 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.385 -16.409 -1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.210 -16.053 -2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.916 -15.671 -1.140 1.00 0.00 H new ATOM 291 N GLU A 15 5.957 -21.581 -1.713 1.00 0.00 N ATOM 292 CA GLU A 15 6.240 -23.010 -1.907 1.00 0.00 C ATOM 293 C GLU A 15 6.751 -23.273 -3.318 1.00 0.00 C ATOM 294 O GLU A 15 6.391 -22.565 -4.253 1.00 0.00 O ATOM 295 CB GLU A 15 4.997 -23.862 -1.574 1.00 0.00 C ATOM 296 CG GLU A 15 5.180 -25.385 -1.645 1.00 0.00 C ATOM 297 CD GLU A 15 6.285 -25.889 -0.697 1.00 0.00 C ATOM 298 OE1 GLU A 15 5.980 -26.236 0.470 1.00 0.00 O ATOM 299 OE2 GLU A 15 7.462 -25.937 -1.122 1.00 0.00 O1- ATOM 0 H GLU A 15 4.978 -21.413 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 15 7.030 -23.305 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.664 -23.603 -0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.196 -23.581 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.239 -25.873 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.424 -25.672 -2.668 1.00 0.00 H new ATOM 306 N GLU A 16 7.589 -24.283 -3.486 1.00 0.00 N ATOM 307 CA GLU A 16 8.059 -24.770 -4.750 1.00 0.00 C ATOM 308 C GLU A 16 7.484 -26.139 -5.106 1.00 0.00 C ATOM 309 O GLU A 16 7.685 -27.175 -4.467 1.00 0.00 O ATOM 310 CB GLU A 16 9.559 -24.774 -4.942 1.00 0.00 C ATOM 311 CG GLU A 16 10.337 -23.761 -4.100 1.00 0.00 C ATOM 312 CD GLU A 16 10.937 -24.335 -2.799 1.00 0.00 C ATOM 313 OE1 GLU A 16 11.462 -25.476 -2.803 1.00 0.00 O ATOM 314 OE2 GLU A 16 10.898 -23.639 -1.753 1.00 0.00 O1- ATOM 0 H GLU A 16 7.973 -24.804 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 16 7.675 -24.024 -5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.934 -25.772 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.773 -24.585 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.144 -23.348 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.674 -22.934 -3.845 1.00 0.00 H new ATOM 321 N ASN A 17 6.789 -26.057 -6.209 1.00 0.00 N ATOM 322 CA ASN A 17 6.280 -27.153 -7.024 1.00 0.00 C ATOM 323 C ASN A 17 7.456 -27.789 -7.810 1.00 0.00 C ATOM 324 O ASN A 17 8.585 -27.292 -7.804 1.00 0.00 O ATOM 325 CB ASN A 17 5.180 -26.679 -8.006 1.00 0.00 C ATOM 326 CG ASN A 17 3.779 -26.534 -7.432 1.00 0.00 C ATOM 327 OD1 ASN A 17 3.548 -26.512 -6.231 1.00 0.00 O ATOM 328 ND2 ASN A 17 2.795 -26.441 -8.306 1.00 0.00 N ATOM 0 H ASN A 17 6.538 -25.150 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 17 5.828 -27.891 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.482 -25.716 -8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.138 -27.383 -8.837 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.832 -26.350 -7.982 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.997 -26.460 -9.306 1.00 0.00 H new ATOM 335 N ASP A 18 7.153 -28.836 -8.578 1.00 0.00 N ATOM 336 CA ASP A 18 8.079 -29.488 -9.517 1.00 0.00 C ATOM 337 C ASP A 18 8.641 -28.524 -10.578 1.00 0.00 C ATOM 338 O ASP A 18 9.800 -28.652 -10.981 1.00 0.00 O ATOM 339 CB ASP A 18 7.331 -30.617 -10.244 1.00 0.00 C ATOM 340 CG ASP A 18 6.906 -31.822 -9.381 1.00 0.00 C ATOM 341 OD1 ASP A 18 7.202 -31.884 -8.163 1.00 0.00 O ATOM 342 OD2 ASP A 18 6.254 -32.737 -9.942 1.00 0.00 O1- ATOM 0 H ASP A 18 6.230 -29.270 -8.567 1.00 0.00 H new ATOM 0 HA ASP A 18 8.919 -29.862 -8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.438 -30.194 -10.705 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.965 -30.982 -11.052 1.00 0.00 H new ATOM 347 N PHE A 19 7.829 -27.545 -11.004 1.00 0.00 N ATOM 348 CA PHE A 19 8.175 -26.501 -11.970 1.00 0.00 C ATOM 349 C PHE A 19 7.904 -25.070 -11.471 1.00 0.00 C ATOM 350 O PHE A 19 6.813 -24.794 -10.973 1.00 0.00 O ATOM 351 CB PHE A 19 7.426 -26.770 -13.295 1.00 0.00 C ATOM 352 CG PHE A 19 7.718 -25.770 -14.371 1.00 0.00 C ATOM 353 CD1 PHE A 19 6.655 -25.147 -15.044 1.00 0.00 C ATOM 354 CD2 PHE A 19 9.055 -25.476 -14.701 1.00 0.00 C ATOM 355 CE1 PHE A 19 6.939 -24.241 -16.072 1.00 0.00 C ATOM 356 CE2 PHE A 19 9.330 -24.548 -15.705 1.00 0.00 C ATOM 357 CZ PHE A 19 8.272 -23.962 -16.404 1.00 0.00 C ATOM 0 H PHE A 19 6.870 -27.459 -10.667 1.00 0.00 H new ATOM 0 HA PHE A 19 9.253 -26.552 -12.122 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.691 -27.764 -13.655 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.354 -26.777 -13.100 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.633 -25.364 -14.772 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.863 -25.967 -14.179 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.135 -23.759 -16.607 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.351 -24.285 -15.940 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.485 -23.281 -17.215 1.00 0.00 H new ATOM 367 N MET A 20 8.855 -24.137 -11.673 1.00 0.00 N ATOM 368 CA MET A 20 8.687 -22.687 -11.458 1.00 0.00 C ATOM 369 C MET A 20 9.298 -21.838 -12.584 1.00 0.00 C ATOM 370 O MET A 20 10.287 -22.246 -13.195 1.00 0.00 O ATOM 371 CB MET A 20 9.229 -22.206 -10.097 1.00 0.00 C ATOM 372 CG MET A 20 8.856 -23.133 -8.955 1.00 0.00 C ATOM 373 SD MET A 20 9.060 -22.373 -7.335 1.00 0.00 S ATOM 374 CE MET A 20 7.539 -21.434 -7.245 1.00 0.00 C ATOM 0 H MET A 20 9.790 -24.380 -12.000 1.00 0.00 H new ATOM 0 HA MET A 20 7.607 -22.539 -11.463 1.00 0.00 H new ATOM 0 HB2 MET A 20 10.314 -22.123 -10.152 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.843 -21.208 -9.890 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.819 -23.448 -9.074 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.471 -24.032 -9.008 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.115 -21.523 -6.245 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.745 -20.386 -7.460 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.829 -21.821 -7.975 1.00 0.00 H new ATOM 384 N ILE A 21 8.744 -20.641 -12.813 1.00 0.00 N ATOM 385 CA ILE A 21 9.181 -19.661 -13.844 1.00 0.00 C ATOM 386 C ILE A 21 9.341 -18.299 -13.201 1.00 0.00 C ATOM 387 O ILE A 21 8.683 -18.052 -12.201 1.00 0.00 O ATOM 388 CB ILE A 21 8.192 -19.505 -15.033 1.00 0.00 C ATOM 389 CG1 ILE A 21 7.677 -20.855 -15.514 1.00 0.00 C ATOM 390 CG2 ILE A 21 8.672 -18.822 -16.351 1.00 0.00 C ATOM 391 CD1 ILE A 21 6.243 -20.679 -15.915 1.00 0.00 C ATOM 0 H ILE A 21 7.948 -20.305 -12.271 1.00 0.00 H new ATOM 0 HA ILE A 21 10.118 -20.049 -14.245 1.00 0.00 H new ATOM 0 HB ILE A 21 7.465 -18.846 -14.558 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.269 -21.212 -16.357 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.765 -21.601 -14.724 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.852 -18.800 -17.069 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.994 -17.803 -16.136 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.506 -19.385 -16.770 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.844 -21.631 -16.265 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.665 -20.337 -15.057 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.177 -19.941 -16.715 1.00 0.00 H new ATOM 403 N GLN A 22 10.136 -17.408 -13.788 1.00 0.00 N ATOM 404 CA GLN A 22 10.346 -16.044 -13.293 1.00 0.00 C ATOM 405 C GLN A 22 9.692 -15.016 -14.217 1.00 0.00 C ATOM 406 O GLN A 22 9.888 -15.062 -15.431 1.00 0.00 O ATOM 407 CB GLN A 22 11.861 -15.786 -13.161 1.00 0.00 C ATOM 408 CG GLN A 22 12.207 -14.300 -12.961 1.00 0.00 C ATOM 409 CD GLN A 22 13.613 -14.078 -12.407 1.00 0.00 C ATOM 410 OE1 GLN A 22 14.592 -14.114 -13.133 1.00 0.00 O ATOM 411 NE2 GLN A 22 13.787 -13.828 -11.130 1.00 0.00 N ATOM 0 H GLN A 22 10.663 -17.614 -14.636 1.00 0.00 H new ATOM 0 HA GLN A 22 9.876 -15.940 -12.315 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.249 -16.359 -12.319 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.365 -16.153 -14.055 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.113 -13.780 -13.915 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.481 -13.853 -12.282 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.983 -13.793 -10.503 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.726 -13.669 -10.765 1.00 0.00 H new ATOM 420 N CYS A 23 9.005 -14.030 -13.640 1.00 0.00 N ATOM 421 CA CYS A 23 8.468 -12.881 -14.351 1.00 0.00 C ATOM 422 C CYS A 23 9.588 -12.022 -14.906 1.00 0.00 C ATOM 423 O CYS A 23 10.491 -11.624 -14.177 1.00 0.00 O ATOM 424 CB CYS A 23 7.636 -12.062 -13.366 1.00 0.00 C ATOM 425 SG CYS A 23 6.895 -10.567 -14.071 1.00 0.00 S ATOM 0 H CYS A 23 8.804 -14.012 -12.640 1.00 0.00 H new ATOM 0 HA CYS A 23 7.856 -13.221 -15.186 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.841 -12.693 -12.968 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.268 -11.777 -12.525 1.00 0.00 H new ATOM 430 N GLU A 24 9.488 -11.651 -16.175 1.00 0.00 N ATOM 431 CA GLU A 24 10.491 -10.788 -16.811 1.00 0.00 C ATOM 432 C GLU A 24 10.434 -9.324 -16.317 1.00 0.00 C ATOM 433 O GLU A 24 11.408 -8.585 -16.462 1.00 0.00 O ATOM 434 CB GLU A 24 10.318 -10.905 -18.336 1.00 0.00 C ATOM 435 CG GLU A 24 8.985 -10.274 -18.803 1.00 0.00 C ATOM 436 CD GLU A 24 9.078 -8.835 -19.373 1.00 0.00 C ATOM 437 OE1 GLU A 24 8.037 -8.141 -19.391 1.00 0.00 O ATOM 438 OE2 GLU A 24 10.168 -8.392 -19.811 1.00 0.00 O1- ATOM 0 H GLU A 24 8.724 -11.931 -16.790 1.00 0.00 H new ATOM 0 HA GLU A 24 11.487 -11.127 -16.526 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.151 -10.412 -18.837 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.347 -11.955 -18.628 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.548 -10.918 -19.566 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.295 -10.266 -17.960 1.00 0.00 H new ATOM 445 N GLU A 25 9.314 -8.906 -15.706 1.00 0.00 N ATOM 446 CA GLU A 25 9.083 -7.500 -15.321 1.00 0.00 C ATOM 447 C GLU A 25 9.545 -7.183 -13.900 1.00 0.00 C ATOM 448 O GLU A 25 10.339 -6.265 -13.696 1.00 0.00 O ATOM 449 CB GLU A 25 7.600 -7.175 -15.489 1.00 0.00 C ATOM 450 CG GLU A 25 7.140 -5.728 -15.241 1.00 0.00 C ATOM 451 CD GLU A 25 8.052 -4.626 -15.825 1.00 0.00 C ATOM 452 OE1 GLU A 25 8.273 -3.598 -15.139 1.00 0.00 O ATOM 453 OE2 GLU A 25 8.550 -4.767 -16.968 1.00 0.00 O1- ATOM 0 H GLU A 25 8.544 -9.529 -15.464 1.00 0.00 H new ATOM 0 HA GLU A 25 9.685 -6.874 -15.979 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.313 -7.446 -16.505 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.039 -7.823 -14.816 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.141 -5.607 -15.660 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.056 -5.572 -14.165 1.00 0.00 H new ATOM 460 N CYS A 26 9.089 -7.989 -12.935 1.00 0.00 N ATOM 461 CA CYS A 26 9.393 -7.808 -11.522 1.00 0.00 C ATOM 462 C CYS A 26 10.233 -8.916 -10.863 1.00 0.00 C ATOM 463 O CYS A 26 10.427 -8.906 -9.646 1.00 0.00 O ATOM 464 CB CYS A 26 8.108 -7.634 -10.742 1.00 0.00 C ATOM 465 SG CYS A 26 7.072 -9.084 -10.493 1.00 0.00 S ATOM 0 H CYS A 26 8.491 -8.794 -13.122 1.00 0.00 H new ATOM 0 HA CYS A 26 10.019 -6.916 -11.490 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.364 -7.233 -9.761 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.509 -6.878 -11.249 1.00 0.00 H new ATOM 470 N GLN A 27 10.694 -9.893 -11.651 1.00 0.00 N ATOM 471 CA GLN A 27 11.538 -11.018 -11.226 1.00 0.00 C ATOM 472 C GLN A 27 10.875 -12.072 -10.327 1.00 0.00 C ATOM 473 O GLN A 27 11.539 -12.998 -9.854 1.00 0.00 O ATOM 474 CB GLN A 27 12.847 -10.512 -10.589 1.00 0.00 C ATOM 475 CG GLN A 27 14.172 -10.762 -11.347 1.00 0.00 C ATOM 476 CD GLN A 27 14.811 -9.476 -11.866 1.00 0.00 C ATOM 477 OE1 GLN A 27 15.801 -8.977 -11.352 1.00 0.00 O ATOM 478 NE2 GLN A 27 14.260 -8.893 -12.916 1.00 0.00 N ATOM 0 H GLN A 27 10.480 -9.924 -12.648 1.00 0.00 H new ATOM 0 HA GLN A 27 11.743 -11.551 -12.154 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.749 -9.437 -10.435 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.936 -10.968 -9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.874 -11.269 -10.685 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.984 -11.433 -12.186 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.434 -9.302 -13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.661 -8.033 -13.291 1.00 0.00 H new ATOM 487 N CYS A 28 9.581 -11.990 -10.062 1.00 0.00 N ATOM 488 CA CYS A 28 8.980 -12.932 -9.133 1.00 0.00 C ATOM 489 C CYS A 28 8.780 -14.308 -9.759 1.00 0.00 C ATOM 490 O CYS A 28 8.544 -14.409 -10.955 1.00 0.00 O ATOM 491 CB CYS A 28 7.684 -12.344 -8.605 1.00 0.00 C ATOM 492 SG CYS A 28 6.515 -12.045 -9.952 1.00 0.00 S ATOM 0 H CYS A 28 8.943 -11.303 -10.463 1.00 0.00 H new ATOM 0 HA CYS A 28 9.661 -13.091 -8.297 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.241 -13.025 -7.878 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.890 -11.410 -8.083 1.00 0.00 H new ATOM 0 HG CYS A 28 6.539 -10.786 -10.276 1.00 0.00 H new ATOM 498 N TRP A 29 8.827 -15.359 -8.952 1.00 0.00 N ATOM 499 CA TRP A 29 8.733 -16.749 -9.368 1.00 0.00 C ATOM 500 C TRP A 29 7.368 -17.378 -9.112 1.00 0.00 C ATOM 501 O TRP A 29 6.729 -17.070 -8.110 1.00 0.00 O ATOM 502 CB TRP A 29 9.856 -17.505 -8.678 1.00 0.00 C ATOM 503 CG TRP A 29 11.226 -17.325 -9.245 1.00 0.00 C ATOM 504 CD1 TRP A 29 12.072 -16.312 -8.963 1.00 0.00 C ATOM 505 CD2 TRP A 29 11.933 -18.177 -10.189 1.00 0.00 C ATOM 506 NE1 TRP A 29 13.264 -16.487 -9.641 1.00 0.00 N ATOM 507 CE2 TRP A 29 13.235 -17.643 -10.386 1.00 0.00 C ATOM 508 CE3 TRP A 29 11.605 -19.345 -10.901 1.00 0.00 C ATOM 509 CZ2 TRP A 29 14.171 -18.265 -11.211 1.00 0.00 C ATOM 510 CZ3 TRP A 29 12.543 -19.959 -11.757 1.00 0.00 C ATOM 511 CH2 TRP A 29 13.831 -19.431 -11.903 1.00 0.00 C ATOM 0 H TRP A 29 8.937 -15.260 -7.943 1.00 0.00 H new ATOM 0 HA TRP A 29 8.842 -16.804 -10.451 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.878 -17.203 -7.631 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.615 -18.568 -8.699 1.00 0.00 H new ATOM 0 HD1 TRP A 29 11.850 -15.486 -8.304 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.057 -15.847 -9.595 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.622 -19.778 -10.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.161 -17.845 -11.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 12.264 -20.846 -12.306 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.553 -19.918 -12.542 1.00 0.00 H new ATOM 522 N GLN A 30 6.892 -18.269 -9.985 1.00 0.00 N ATOM 523 CA GLN A 30 5.565 -18.872 -9.849 1.00 0.00 C ATOM 524 C GLN A 30 5.593 -20.302 -10.292 1.00 0.00 C ATOM 525 O GLN A 30 6.457 -20.677 -11.072 1.00 0.00 O ATOM 526 CB GLN A 30 4.523 -18.195 -10.752 1.00 0.00 C ATOM 527 CG GLN A 30 4.294 -16.747 -10.400 1.00 0.00 C ATOM 528 CD GLN A 30 5.421 -15.858 -10.862 1.00 0.00 C ATOM 529 OE1 GLN A 30 6.022 -16.023 -11.905 1.00 0.00 O ATOM 530 NE2 GLN A 30 5.758 -14.877 -10.095 1.00 0.00 N ATOM 0 H GLN A 30 7.412 -18.591 -10.801 1.00 0.00 H new ATOM 0 HA GLN A 30 5.299 -18.762 -8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.849 -18.264 -11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.579 -18.735 -10.678 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.361 -16.410 -10.851 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.179 -16.652 -9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.264 -14.724 -9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.518 -14.254 -10.368 1.00 0.00 H new ATOM 539 N HIS A 31 4.608 -21.081 -9.862 1.00 0.00 N ATOM 540 CA HIS A 31 4.414 -22.412 -10.418 1.00 0.00 C ATOM 541 C HIS A 31 3.871 -22.222 -11.815 1.00 0.00 C ATOM 542 O HIS A 31 2.783 -21.671 -11.977 1.00 0.00 O ATOM 543 CB HIS A 31 3.390 -23.214 -9.605 1.00 0.00 C ATOM 544 CG HIS A 31 3.547 -23.076 -8.113 1.00 0.00 C ATOM 545 ND1 HIS A 31 2.604 -22.674 -7.161 1.00 0.00 N ATOM 546 CD2 HIS A 31 4.715 -23.315 -7.475 1.00 0.00 C ATOM 547 CE1 HIS A 31 3.221 -22.670 -5.964 1.00 0.00 C ATOM 548 NE2 HIS A 31 4.497 -23.055 -6.137 1.00 0.00 N ATOM 0 H HIS A 31 3.939 -20.817 -9.139 1.00 0.00 H new ATOM 0 HA HIS A 31 5.357 -22.958 -10.405 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.387 -22.893 -9.886 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.474 -24.267 -9.873 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.639 -23.645 -7.925 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.766 -22.402 -5.022 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.194 -23.141 -5.397 1.00 0.00 H new ATOM 556 N GLY A 32 4.584 -22.679 -12.834 1.00 0.00 N ATOM 557 CA GLY A 32 4.101 -22.440 -14.191 1.00 0.00 C ATOM 558 C GLY A 32 2.706 -22.981 -14.461 1.00 0.00 C ATOM 559 O GLY A 32 1.892 -22.321 -15.099 1.00 0.00 O ATOM 0 H GLY A 32 5.461 -23.195 -12.759 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.106 -21.367 -14.382 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.797 -22.893 -14.897 1.00 0.00 H new ATOM 563 N VAL A 33 2.378 -24.125 -13.868 1.00 0.00 N ATOM 564 CA VAL A 33 1.091 -24.808 -14.086 1.00 0.00 C ATOM 565 C VAL A 33 -0.094 -24.017 -13.490 1.00 0.00 C ATOM 566 O VAL A 33 -1.238 -24.191 -13.909 1.00 0.00 O ATOM 567 CB VAL A 33 1.215 -26.252 -13.579 1.00 0.00 C ATOM 568 CG1 VAL A 33 1.329 -26.327 -12.050 1.00 0.00 C ATOM 569 CG2 VAL A 33 0.054 -27.139 -14.029 1.00 0.00 C ATOM 0 H VAL A 33 2.995 -24.613 -13.218 1.00 0.00 H new ATOM 0 HA VAL A 33 0.861 -24.852 -15.150 1.00 0.00 H new ATOM 0 HB VAL A 33 2.136 -26.626 -14.026 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.414 -27.369 -11.742 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.213 -25.779 -11.724 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.441 -25.886 -11.597 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.195 -28.148 -13.641 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.883 -26.732 -13.649 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.021 -27.170 -15.118 1.00 0.00 H new ATOM 579 N CYS A 34 0.185 -23.081 -12.570 1.00 0.00 N ATOM 580 CA CYS A 34 -0.765 -22.096 -12.032 1.00 0.00 C ATOM 581 C CYS A 34 -0.974 -20.891 -12.969 1.00 0.00 C ATOM 582 O CYS A 34 -2.025 -20.252 -12.970 1.00 0.00 O ATOM 583 CB CYS A 34 -0.212 -21.610 -10.703 1.00 0.00 C ATOM 584 SG CYS A 34 -0.186 -22.915 -9.460 1.00 0.00 S ATOM 0 H CYS A 34 1.116 -22.986 -12.164 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.737 -22.576 -11.922 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.799 -21.229 -10.849 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.817 -20.778 -10.342 1.00 0.00 H new ATOM 589 N MET A 35 0.068 -20.572 -13.740 1.00 0.00 N ATOM 590 CA MET A 35 0.180 -19.436 -14.661 1.00 0.00 C ATOM 591 C MET A 35 -0.182 -19.800 -16.122 1.00 0.00 C ATOM 592 O MET A 35 -0.269 -18.910 -16.970 1.00 0.00 O ATOM 593 CB MET A 35 1.621 -18.912 -14.555 1.00 0.00 C ATOM 594 CG MET A 35 2.025 -18.378 -13.174 1.00 0.00 C ATOM 595 SD MET A 35 1.398 -16.703 -12.857 1.00 0.00 S ATOM 596 CE MET A 35 -0.114 -17.034 -11.932 1.00 0.00 C ATOM 0 H MET A 35 0.915 -21.140 -13.738 1.00 0.00 H new ATOM 0 HA MET A 35 -0.540 -18.668 -14.378 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.304 -19.716 -14.829 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.755 -18.116 -15.288 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.650 -19.053 -12.405 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.112 -18.375 -13.094 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.851 -16.262 -12.152 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.511 -18.007 -12.220 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.105 -17.033 -10.864 1.00 0.00 H new ATOM 606 N GLY A 36 -0.390 -21.089 -16.429 1.00 0.00 N ATOM 607 CA GLY A 36 -0.664 -21.623 -17.769 1.00 0.00 C ATOM 608 C GLY A 36 0.576 -21.836 -18.629 1.00 0.00 C ATOM 609 O GLY A 36 0.490 -21.777 -19.859 1.00 0.00 O ATOM 0 H GLY A 36 -0.371 -21.819 -15.717 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.188 -22.573 -17.668 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.338 -20.941 -18.288 1.00 0.00 H new ATOM 613 N LEU A 37 1.723 -22.070 -17.983 1.00 0.00 N ATOM 614 CA LEU A 37 2.998 -22.326 -18.648 1.00 0.00 C ATOM 615 C LEU A 37 3.660 -23.594 -18.072 1.00 0.00 C ATOM 616 O LEU A 37 3.480 -23.958 -16.921 1.00 0.00 O ATOM 617 CB LEU A 37 3.944 -21.105 -18.540 1.00 0.00 C ATOM 618 CG LEU A 37 3.340 -19.680 -18.474 1.00 0.00 C ATOM 619 CD1 LEU A 37 3.809 -18.853 -17.276 1.00 0.00 C ATOM 620 CD2 LEU A 37 3.821 -18.892 -19.668 1.00 0.00 C ATOM 0 H LEU A 37 1.789 -22.086 -16.965 1.00 0.00 H new ATOM 0 HA LEU A 37 2.801 -22.493 -19.707 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.556 -21.243 -17.649 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.617 -21.136 -19.397 1.00 0.00 H new ATOM 0 HG LEU A 37 2.262 -19.832 -18.420 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.339 -17.870 -17.306 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.531 -19.360 -16.352 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.892 -18.738 -17.315 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.402 -17.886 -19.633 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.909 -18.833 -19.650 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.499 -19.387 -20.584 1.00 0.00 H new ATOM 632 N LEU A 38 4.446 -24.272 -18.889 1.00 0.00 N ATOM 633 CA LEU A 38 5.215 -25.476 -18.637 1.00 0.00 C ATOM 634 C LEU A 38 6.639 -25.229 -19.125 1.00 0.00 C ATOM 635 O LEU A 38 6.844 -24.325 -19.930 1.00 0.00 O ATOM 636 CB LEU A 38 4.542 -26.587 -19.449 1.00 0.00 C ATOM 637 CG LEU A 38 3.677 -27.567 -18.657 1.00 0.00 C ATOM 638 CD1 LEU A 38 4.630 -28.601 -18.062 1.00 0.00 C ATOM 639 CD2 LEU A 38 2.772 -26.953 -17.595 1.00 0.00 C ATOM 0 H LEU A 38 4.574 -23.957 -19.851 1.00 0.00 H new ATOM 0 HA LEU A 38 5.252 -25.751 -17.583 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.921 -26.124 -20.216 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.317 -27.153 -19.965 1.00 0.00 H new ATOM 0 HG LEU A 38 2.956 -28.010 -19.344 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.062 -29.329 -17.483 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.161 -29.111 -18.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.349 -28.102 -17.412 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.207 -27.742 -17.099 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.380 -26.425 -16.860 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.082 -26.253 -18.066 1.00 0.00 H new ATOM 651 N GLU A 39 7.593 -26.085 -18.763 1.00 0.00 N ATOM 652 CA GLU A 39 8.943 -26.042 -19.331 1.00 0.00 C ATOM 653 C GLU A 39 8.956 -26.172 -20.867 1.00 0.00 C ATOM 654 O GLU A 39 9.862 -25.636 -21.514 1.00 0.00 O ATOM 655 CB GLU A 39 9.844 -27.107 -18.669 1.00 0.00 C ATOM 656 CG GLU A 39 9.291 -28.537 -18.542 1.00 0.00 C ATOM 657 CD GLU A 39 9.083 -29.264 -19.883 1.00 0.00 C ATOM 658 OE1 GLU A 39 7.959 -29.758 -20.133 1.00 0.00 O ATOM 659 OE2 GLU A 39 10.044 -29.350 -20.687 1.00 0.00 O1- ATOM 0 H GLU A 39 7.456 -26.824 -18.073 1.00 0.00 H new ATOM 0 HA GLU A 39 9.348 -25.054 -19.110 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.774 -27.157 -19.235 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.098 -26.756 -17.669 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.974 -29.124 -17.928 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.339 -28.499 -18.013 1.00 0.00 H new ATOM 666 N GLU A 40 7.929 -26.791 -21.467 1.00 0.00 N ATOM 667 CA GLU A 40 7.757 -26.782 -22.932 1.00 0.00 C ATOM 668 C GLU A 40 7.441 -25.392 -23.507 1.00 0.00 C ATOM 669 O GLU A 40 7.927 -25.049 -24.588 1.00 0.00 O ATOM 670 CB GLU A 40 6.701 -27.781 -23.439 1.00 0.00 C ATOM 671 CG GLU A 40 5.345 -27.767 -22.718 1.00 0.00 C ATOM 672 CD GLU A 40 4.196 -28.422 -23.521 1.00 0.00 C ATOM 673 OE1 GLU A 40 3.019 -28.273 -23.111 1.00 0.00 O ATOM 674 OE2 GLU A 40 4.438 -29.095 -24.555 1.00 0.00 O1- ATOM 0 H GLU A 40 7.205 -27.304 -20.964 1.00 0.00 H new ATOM 0 HA GLU A 40 8.735 -27.097 -23.298 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.527 -27.586 -24.497 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.117 -28.786 -23.364 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.448 -28.284 -21.764 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.075 -26.735 -22.494 1.00 0.00 H new ATOM 681 N ASN A 41 6.635 -24.590 -22.802 1.00 0.00 N ATOM 682 CA ASN A 41 6.096 -23.331 -23.323 1.00 0.00 C ATOM 683 C ASN A 41 6.816 -22.057 -22.843 1.00 0.00 C ATOM 684 O ASN A 41 6.381 -20.979 -23.244 1.00 0.00 O ATOM 685 CB ASN A 41 4.602 -23.220 -22.981 1.00 0.00 C ATOM 686 CG ASN A 41 3.656 -24.292 -23.480 1.00 0.00 C ATOM 687 OD1 ASN A 41 3.942 -25.073 -24.376 1.00 0.00 O ATOM 688 ND2 ASN A 41 2.474 -24.341 -22.898 1.00 0.00 N ATOM 0 H ASN A 41 6.337 -24.798 -21.849 1.00 0.00 H new ATOM 0 HA ASN A 41 6.262 -23.380 -24.399 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.514 -23.182 -21.895 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.247 -22.263 -23.363 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.788 -25.035 -23.194 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.246 -23.685 -22.151 1.00 0.00 H new ATOM 695 N VAL A 42 7.879 -22.131 -22.021 1.00 0.00 N ATOM 696 CA VAL A 42 8.479 -20.947 -21.351 1.00 0.00 C ATOM 697 C VAL A 42 8.836 -19.877 -22.387 1.00 0.00 C ATOM 698 O VAL A 42 9.733 -20.093 -23.213 1.00 0.00 O ATOM 699 CB VAL A 42 9.754 -21.289 -20.564 1.00 0.00 C ATOM 700 CG1 VAL A 42 10.468 -20.051 -19.995 1.00 0.00 C ATOM 701 CG2 VAL A 42 9.434 -22.232 -19.427 1.00 0.00 C ATOM 0 H VAL A 42 8.350 -23.008 -21.799 1.00 0.00 H new ATOM 0 HA VAL A 42 7.728 -20.582 -20.650 1.00 0.00 H new ATOM 0 HB VAL A 42 10.429 -21.761 -21.278 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.360 -20.363 -19.451 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.754 -19.389 -20.812 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.797 -19.523 -19.318 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.347 -22.465 -18.879 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.717 -21.761 -18.754 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.006 -23.152 -19.826 1.00 0.00 H new ATOM 711 N PRO A 43 8.140 -18.727 -22.352 1.00 0.00 N ATOM 712 CA PRO A 43 8.407 -17.628 -23.260 1.00 0.00 C ATOM 713 C PRO A 43 9.627 -16.822 -22.820 1.00 0.00 C ATOM 714 O PRO A 43 10.083 -16.874 -21.678 1.00 0.00 O ATOM 715 CB PRO A 43 7.114 -16.806 -23.240 1.00 0.00 C ATOM 716 CG PRO A 43 6.579 -16.996 -21.827 1.00 0.00 C ATOM 717 CD PRO A 43 6.995 -18.425 -21.491 1.00 0.00 C ATOM 0 HA PRO A 43 8.656 -17.961 -24.268 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.306 -15.755 -23.456 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.404 -17.161 -23.987 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.011 -16.276 -21.132 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.497 -16.870 -21.785 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.264 -18.515 -20.439 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.177 -19.122 -21.672 1.00 0.00 H new ATOM 725 N GLU A 44 10.123 -16.002 -23.730 1.00 0.00 N ATOM 726 CA GLU A 44 11.235 -15.086 -23.489 1.00 0.00 C ATOM 727 C GLU A 44 10.783 -13.966 -22.551 1.00 0.00 C ATOM 728 O GLU A 44 11.534 -13.550 -21.666 1.00 0.00 O ATOM 729 CB GLU A 44 11.731 -14.501 -24.824 1.00 0.00 C ATOM 730 CG GLU A 44 12.325 -15.528 -25.810 1.00 0.00 C ATOM 731 CD GLU A 44 11.295 -16.446 -26.512 1.00 0.00 C ATOM 732 OE1 GLU A 44 11.698 -17.534 -26.991 1.00 0.00 O ATOM 733 OE2 GLU A 44 10.090 -16.102 -26.600 1.00 0.00 O1- ATOM 0 H GLU A 44 9.758 -15.950 -24.681 1.00 0.00 H new ATOM 0 HA GLU A 44 12.056 -15.629 -23.021 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.899 -13.993 -25.311 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.487 -13.745 -24.613 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.887 -14.990 -26.574 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.037 -16.154 -25.272 1.00 0.00 H new ATOM 740 N LYS A 45 9.508 -13.567 -22.658 1.00 0.00 N ATOM 741 CA LYS A 45 8.861 -12.598 -21.792 1.00 0.00 C ATOM 742 C LYS A 45 7.487 -13.034 -21.285 1.00 0.00 C ATOM 743 O LYS A 45 6.441 -12.649 -21.808 1.00 0.00 O ATOM 744 CB LYS A 45 8.740 -11.255 -22.507 1.00 0.00 C ATOM 745 CG LYS A 45 10.061 -10.482 -22.678 1.00 0.00 C ATOM 746 CD LYS A 45 9.770 -9.051 -23.166 1.00 0.00 C ATOM 747 CE LYS A 45 11.016 -8.154 -23.310 1.00 0.00 C ATOM 748 NZ LYS A 45 11.780 -8.035 -22.036 1.00 0.00 N1+ ATOM 0 H LYS A 45 8.885 -13.929 -23.380 1.00 0.00 H new ATOM 0 HA LYS A 45 9.500 -12.511 -20.913 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.306 -11.424 -23.493 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.040 -10.629 -21.954 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.599 -10.450 -21.731 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.704 -10.996 -23.393 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.265 -9.106 -24.131 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.077 -8.578 -22.470 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.666 -8.562 -24.084 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.710 -7.162 -23.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.068 -7.046 -21.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.180 -8.337 -21.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.626 -8.639 -22.081 1.00 0.00 H new ATOM 762 N TYR A 46 7.512 -13.842 -20.231 1.00 0.00 N ATOM 763 CA TYR A 46 6.297 -14.128 -19.465 1.00 0.00 C ATOM 764 C TYR A 46 6.103 -13.000 -18.437 1.00 0.00 C ATOM 765 O TYR A 46 6.993 -12.688 -17.640 1.00 0.00 O ATOM 766 CB TYR A 46 6.338 -15.529 -18.814 1.00 0.00 C ATOM 767 CG TYR A 46 5.748 -15.565 -17.434 1.00 0.00 C ATOM 768 CD1 TYR A 46 4.355 -15.578 -17.260 1.00 0.00 C ATOM 769 CD2 TYR A 46 6.616 -15.563 -16.333 1.00 0.00 C ATOM 770 CE1 TYR A 46 3.825 -15.511 -15.959 1.00 0.00 C ATOM 771 CE2 TYR A 46 6.085 -15.542 -15.036 1.00 0.00 C ATOM 772 CZ TYR A 46 4.691 -15.499 -14.857 1.00 0.00 C ATOM 773 OH TYR A 46 4.178 -15.437 -13.612 1.00 0.00 O ATOM 0 H TYR A 46 8.351 -14.309 -19.887 1.00 0.00 H new ATOM 0 HA TYR A 46 5.436 -14.154 -20.133 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.799 -16.232 -19.449 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.372 -15.869 -18.767 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.698 -15.639 -18.115 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.685 -15.578 -16.483 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.756 -15.469 -15.810 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.743 -15.559 -14.179 1.00 0.00 H new ATOM 0 HH TYR A 46 4.873 -15.145 -12.986 1.00 0.00 H new ATOM 783 N THR A 47 4.925 -12.390 -18.473 1.00 0.00 N ATOM 784 CA THR A 47 4.423 -11.446 -17.475 1.00 0.00 C ATOM 785 C THR A 47 3.540 -12.152 -16.451 1.00 0.00 C ATOM 786 O THR A 47 2.683 -12.958 -16.805 1.00 0.00 O ATOM 787 CB THR A 47 3.610 -10.327 -18.129 1.00 0.00 C ATOM 788 OG1 THR A 47 2.802 -10.815 -19.186 1.00 0.00 O ATOM 789 CG2 THR A 47 4.485 -9.184 -18.618 1.00 0.00 C ATOM 0 H THR A 47 4.261 -12.545 -19.232 1.00 0.00 H new ATOM 0 HA THR A 47 5.293 -11.018 -16.977 1.00 0.00 H new ATOM 0 HB THR A 47 2.957 -9.933 -17.350 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.296 -10.074 -19.580 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.860 -8.416 -19.074 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.029 -8.756 -17.776 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.195 -9.559 -19.355 1.00 0.00 H new ATOM 797 N CYS A 48 3.707 -11.793 -15.177 1.00 0.00 N ATOM 798 CA CYS A 48 2.991 -12.414 -14.064 1.00 0.00 C ATOM 799 C CYS A 48 1.721 -11.642 -13.814 1.00 0.00 C ATOM 800 O CYS A 48 1.771 -10.435 -13.925 1.00 0.00 O ATOM 801 CB CYS A 48 3.874 -12.410 -12.791 1.00 0.00 C ATOM 802 SG CYS A 48 3.907 -10.887 -11.780 1.00 0.00 S ATOM 0 H CYS A 48 4.350 -11.056 -14.887 1.00 0.00 H new ATOM 0 HA CYS A 48 2.752 -13.448 -14.313 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.544 -13.229 -12.152 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.897 -12.634 -13.093 1.00 0.00 H new ATOM 807 N TYR A 49 0.618 -12.265 -13.429 1.00 0.00 N ATOM 808 CA TYR A 49 -0.595 -11.608 -12.955 1.00 0.00 C ATOM 809 C TYR A 49 -0.386 -10.303 -12.142 1.00 0.00 C ATOM 810 O TYR A 49 -1.010 -9.289 -12.441 1.00 0.00 O ATOM 811 CB TYR A 49 -1.356 -12.644 -12.148 1.00 0.00 C ATOM 812 CG TYR A 49 -0.796 -12.937 -10.765 1.00 0.00 C ATOM 813 CD1 TYR A 49 0.447 -13.588 -10.617 1.00 0.00 C ATOM 814 CD2 TYR A 49 -1.516 -12.544 -9.621 1.00 0.00 C ATOM 815 CE1 TYR A 49 0.974 -13.817 -9.335 1.00 0.00 C ATOM 816 CE2 TYR A 49 -0.989 -12.775 -8.335 1.00 0.00 C ATOM 817 CZ TYR A 49 0.270 -13.396 -8.187 1.00 0.00 C ATOM 818 OH TYR A 49 0.812 -13.592 -6.956 1.00 0.00 O ATOM 0 H TYR A 49 0.538 -13.282 -13.438 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.149 -11.260 -13.826 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.387 -12.309 -12.040 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.381 -13.574 -12.715 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.994 -13.911 -11.490 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.477 -12.063 -9.730 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.924 -14.319 -9.227 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.549 -12.477 -7.461 1.00 0.00 H new ATOM 0 HH TYR A 49 0.203 -13.245 -6.271 1.00 0.00 H new ATOM 828 N VAL A 50 0.554 -10.256 -11.189 1.00 0.00 N ATOM 829 CA VAL A 50 0.875 -9.043 -10.413 1.00 0.00 C ATOM 830 C VAL A 50 1.305 -7.866 -11.322 1.00 0.00 C ATOM 831 O VAL A 50 1.013 -6.710 -11.007 1.00 0.00 O ATOM 832 CB VAL A 50 1.885 -9.393 -9.284 1.00 0.00 C ATOM 833 CG1 VAL A 50 2.925 -8.315 -8.988 1.00 0.00 C ATOM 834 CG2 VAL A 50 1.180 -9.768 -7.978 1.00 0.00 C ATOM 0 H VAL A 50 1.120 -11.064 -10.930 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.027 -8.678 -9.921 1.00 0.00 H new ATOM 0 HB VAL A 50 2.422 -10.252 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.582 -8.653 -8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.515 -8.123 -9.884 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.422 -7.398 -8.681 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.924 -10.005 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.570 -8.930 -7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.543 -10.637 -8.145 1.00 0.00 H new ATOM 844 N CYS A 51 1.950 -8.151 -12.462 1.00 0.00 N ATOM 845 CA CYS A 51 2.229 -7.214 -13.542 1.00 0.00 C ATOM 846 C CYS A 51 1.106 -7.214 -14.598 1.00 0.00 C ATOM 847 O CYS A 51 0.495 -6.161 -14.799 1.00 0.00 O ATOM 848 CB CYS A 51 3.590 -7.512 -14.171 1.00 0.00 C ATOM 849 SG CYS A 51 4.968 -7.360 -13.023 1.00 0.00 S ATOM 0 H CYS A 51 2.305 -9.087 -12.658 1.00 0.00 H new ATOM 0 HA CYS A 51 2.265 -6.211 -13.117 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.578 -8.523 -14.579 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.750 -6.833 -15.008 1.00 0.00 H new ATOM 854 N GLN A 52 0.814 -8.347 -15.280 1.00 0.00 N ATOM 855 CA GLN A 52 -0.239 -8.349 -16.303 1.00 0.00 C ATOM 856 C GLN A 52 -1.693 -8.313 -15.784 1.00 0.00 C ATOM 857 O GLN A 52 -2.423 -7.386 -16.156 1.00 0.00 O ATOM 858 CB GLN A 52 -0.005 -9.469 -17.329 1.00 0.00 C ATOM 859 CG GLN A 52 0.149 -10.879 -16.767 1.00 0.00 C ATOM 860 CD GLN A 52 -0.737 -11.927 -17.445 1.00 0.00 C ATOM 861 OE1 GLN A 52 -1.883 -12.131 -17.070 1.00 0.00 O ATOM 862 NE2 GLN A 52 -0.267 -12.633 -18.452 1.00 0.00 N ATOM 0 H GLN A 52 1.282 -9.243 -15.141 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.140 -7.385 -16.803 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.839 -9.470 -18.031 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.892 -9.228 -17.900 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.191 -11.184 -16.863 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.081 -10.860 -15.702 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.686 -12.480 -18.781 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.856 -13.333 -18.903 1.00 0.00 H new ATOM 871 N ASP A 53 -2.134 -9.291 -14.978 1.00 0.00 N ATOM 872 CA ASP A 53 -3.544 -9.403 -14.506 1.00 0.00 C ATOM 873 C ASP A 53 -3.851 -10.364 -13.328 1.00 0.00 C ATOM 874 O ASP A 53 -3.926 -9.898 -12.166 1.00 0.00 O ATOM 875 CB ASP A 53 -4.459 -9.796 -15.692 1.00 0.00 C ATOM 876 CG ASP A 53 -5.981 -9.715 -15.417 1.00 0.00 C ATOM 877 OD1 ASP A 53 -6.759 -10.320 -16.199 1.00 0.00 O ATOM 878 OD2 ASP A 53 -6.426 -9.054 -14.444 1.00 0.00 O1- ATOM 879 OXT ASP A 53 -4.113 -11.569 -13.575 1.00 0.00 O1- ATOM 0 H ASP A 53 -1.529 -10.034 -14.628 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.739 -8.409 -14.104 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.226 -9.149 -16.538 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.216 -10.815 -15.993 1.00 0.00 H new TER 884 ASP A 53 ATOM 885 N ALA C 1 12.329 -15.422 -19.662 1.00 0.00 N ATOM 886 CA ALA C 1 11.723 -15.799 -18.348 1.00 0.00 C ATOM 887 C ALA C 1 12.588 -16.913 -17.708 1.00 0.00 C ATOM 888 O ALA C 1 12.663 -17.998 -18.279 1.00 0.00 O ATOM 889 CB ALA C 1 10.252 -16.269 -18.514 1.00 0.00 C ATOM 0 H1 ALA C 1 11.740 -14.698 -20.121 1.00 0.00 H new ATOM 0 H2 ALA C 1 13.285 -15.044 -19.507 1.00 0.00 H new ATOM 0 H3 ALA C 1 12.383 -16.262 -20.273 1.00 0.00 H new ATOM 0 HA ALA C 1 11.704 -14.924 -17.698 1.00 0.00 H new ATOM 0 HB1 ALA C 1 9.843 -16.535 -17.539 1.00 0.00 H new ATOM 0 HB2 ALA C 1 9.660 -15.464 -18.949 1.00 0.00 H new ATOM 0 HB3 ALA C 1 10.220 -17.138 -19.171 1.00 0.00 H new ATOM 897 N ARG C 2 13.288 -16.667 -16.581 1.00 0.00 N ATOM 898 CA ARG C 2 14.146 -17.676 -15.890 1.00 0.00 C ATOM 899 C ARG C 2 13.315 -18.900 -15.472 1.00 0.00 C ATOM 900 O ARG C 2 12.131 -18.748 -15.194 1.00 0.00 O ATOM 901 CB ARG C 2 14.827 -17.020 -14.663 1.00 0.00 C ATOM 902 CG ARG C 2 16.268 -17.416 -14.339 1.00 0.00 C ATOM 903 CD ARG C 2 16.795 -16.530 -13.186 1.00 0.00 C ATOM 904 NE ARG C 2 17.151 -15.176 -13.649 1.00 0.00 N ATOM 905 CZ ARG C 2 18.299 -14.747 -14.146 1.00 0.00 C ATOM 906 NH1 ARG C 2 19.326 -15.533 -14.300 1.00 0.00 N1+ ATOM 907 NH2 ARG C 2 18.431 -13.502 -14.506 1.00 0.00 N ATOM 0 H ARG C 2 13.280 -15.760 -16.115 1.00 0.00 H new ATOM 0 HA ARG C 2 14.918 -18.022 -16.577 1.00 0.00 H new ATOM 0 HB2 ARG C 2 14.803 -15.940 -14.807 1.00 0.00 H new ATOM 0 HB3 ARG C 2 14.217 -17.239 -13.787 1.00 0.00 H new ATOM 0 HG2 ARG C 2 16.313 -18.467 -14.055 1.00 0.00 H new ATOM 0 HG3 ARG C 2 16.897 -17.297 -15.221 1.00 0.00 H new ATOM 0 HD2 ARG C 2 16.036 -16.459 -12.407 1.00 0.00 H new ATOM 0 HD3 ARG C 2 17.669 -17.001 -12.737 1.00 0.00 H new ATOM 0 HE ARG C 2 16.413 -14.476 -13.576 1.00 0.00 H new ATOM 0 HH11 ARG C 2 19.261 -16.515 -14.034 1.00 0.00 H new ATOM 0 HH12 ARG C 2 20.196 -15.166 -14.687 1.00 0.00 H new ATOM 0 HH21 ARG C 2 17.648 -12.856 -14.405 1.00 0.00 H new ATOM 0 HH22 ARG C 2 19.317 -13.173 -14.889 1.00 0.00 H new ATOM 921 N THR C 3 13.922 -20.082 -15.382 1.00 0.00 N ATOM 922 CA THR C 3 13.226 -21.331 -14.993 1.00 0.00 C ATOM 923 C THR C 3 14.085 -22.303 -14.188 1.00 0.00 C ATOM 924 O THR C 3 15.314 -22.295 -14.291 1.00 0.00 O ATOM 925 CB THR C 3 12.599 -22.068 -16.189 1.00 0.00 C ATOM 926 OG1 THR C 3 13.382 -21.990 -17.367 1.00 0.00 O ATOM 927 CG2 THR C 3 11.215 -21.488 -16.472 1.00 0.00 C ATOM 0 H THR C 3 14.915 -20.213 -15.576 1.00 0.00 H new ATOM 0 HA THR C 3 12.428 -20.982 -14.338 1.00 0.00 H new ATOM 0 HB THR C 3 12.537 -23.121 -15.913 1.00 0.00 H new ATOM 0 HG1 THR C 3 12.934 -22.477 -18.090 1.00 0.00 H new ATOM 0 HG21 THR C 3 10.769 -22.009 -17.319 1.00 0.00 H new ATOM 0 HG22 THR C 3 10.581 -21.614 -15.594 1.00 0.00 H new ATOM 0 HG23 THR C 3 11.306 -20.427 -16.705 1.00 0.00 H new HETATM 935 N MLY C 4 13.410 -23.128 -13.375 1.00 0.00 N HETATM 936 CA MLY C 4 14.012 -24.057 -12.422 1.00 0.00 C HETATM 937 CB MLY C 4 14.265 -23.319 -11.085 1.00 0.00 C HETATM 938 CG MLY C 4 12.963 -23.036 -10.330 1.00 0.00 C HETATM 939 CD MLY C 4 13.109 -21.951 -9.246 1.00 0.00 C HETATM 940 CE MLY C 4 13.474 -22.532 -7.867 1.00 0.00 C HETATM 941 NZ MLY C 4 13.636 -21.477 -6.820 1.00 0.00 N HETATM 942 CH1 MLY C 4 12.353 -20.763 -6.519 1.00 0.00 C HETATM 943 CH2 MLY C 4 14.155 -22.102 -5.570 1.00 0.00 C HETATM 944 C MLY C 4 13.119 -25.290 -12.239 1.00 0.00 C HETATM 945 O MLY C 4 11.904 -25.231 -12.444 1.00 0.00 O HETATM 0 HH23 MLY C 4 13.451 -22.858 -5.222 1.00 0.00 H new HETATM 0 HH22 MLY C 4 15.119 -22.569 -5.770 1.00 0.00 H new HETATM 0 HH21 MLY C 4 14.275 -21.337 -4.803 1.00 0.00 H new HETATM 0 HH13 MLY C 4 11.983 -20.282 -7.424 1.00 0.00 H new HETATM 0 HH12 MLY C 4 11.613 -21.479 -6.161 1.00 0.00 H new HETATM 0 HH11 MLY C 4 12.528 -20.008 -5.752 1.00 0.00 H new HETATM 0 HG3 MLY C 4 12.198 -22.727 -11.042 1.00 0.00 H new HETATM 0 HG2 MLY C 4 12.613 -23.958 -9.866 1.00 0.00 H new HETATM 0 HE3 MLY C 4 12.698 -23.231 -7.555 1.00 0.00 H new HETATM 0 HE2 MLY C 4 14.400 -23.100 -7.951 1.00 0.00 H new HETATM 0 HD3 MLY C 4 13.877 -21.240 -9.551 1.00 0.00 H new HETATM 0 HD2 MLY C 4 12.175 -21.396 -9.166 1.00 0.00 H new HETATM 0 HB3 MLY C 4 14.924 -23.920 -10.458 1.00 0.00 H new HETATM 0 HB2 MLY C 4 14.781 -22.379 -11.282 1.00 0.00 H new HETATM 0 HA MLY C 4 14.969 -24.413 -12.803 1.00 0.00 H new ATOM 963 N GLN C 5 13.738 -26.395 -11.811 1.00 0.00 N ATOM 964 CA GLN C 5 13.075 -27.661 -11.476 1.00 0.00 C ATOM 965 C GLN C 5 13.690 -28.282 -10.206 1.00 0.00 C ATOM 966 O GLN C 5 14.888 -28.122 -9.938 1.00 0.00 O ATOM 967 CB GLN C 5 13.165 -28.667 -12.642 1.00 0.00 C ATOM 968 CG GLN C 5 12.559 -28.223 -13.991 1.00 0.00 C ATOM 969 CD GLN C 5 13.425 -27.271 -14.827 1.00 0.00 C ATOM 970 OE1 GLN C 5 12.960 -26.267 -15.354 1.00 0.00 O ATOM 971 NE2 GLN C 5 14.707 -27.528 -14.993 1.00 0.00 N ATOM 0 H GLN C 5 14.749 -26.435 -11.684 1.00 0.00 H new ATOM 0 HA GLN C 5 12.024 -27.439 -11.291 1.00 0.00 H new ATOM 0 HB2 GLN C 5 14.216 -28.907 -12.804 1.00 0.00 H new ATOM 0 HB3 GLN C 5 12.671 -29.589 -12.335 1.00 0.00 H new ATOM 0 HG2 GLN C 5 12.351 -29.113 -14.586 1.00 0.00 H new ATOM 0 HG3 GLN C 5 11.602 -27.739 -13.797 1.00 0.00 H new ATOM 0 HE21 GLN C 5 15.121 -28.357 -14.566 1.00 0.00 H new ATOM 0 HE22 GLN C 5 15.286 -26.898 -15.549 1.00 0.00 H new ATOM 980 N THR C 6 12.888 -29.017 -9.431 1.00 0.00 N ATOM 981 CA THR C 6 13.355 -29.771 -8.250 1.00 0.00 C ATOM 982 C THR C 6 14.227 -30.981 -8.633 1.00 0.00 C ATOM 983 O THR C 6 14.068 -31.569 -9.708 1.00 0.00 O ATOM 984 CB THR C 6 12.176 -30.220 -7.367 1.00 0.00 C ATOM 985 OG1 THR C 6 11.193 -30.909 -8.119 1.00 0.00 O ATOM 986 CG2 THR C 6 11.510 -29.024 -6.683 1.00 0.00 C ATOM 0 H THR C 6 11.887 -29.110 -9.602 1.00 0.00 H new ATOM 0 HA THR C 6 13.978 -29.086 -7.676 1.00 0.00 H new ATOM 0 HB THR C 6 12.592 -30.891 -6.615 1.00 0.00 H new ATOM 0 HG1 THR C 6 10.460 -31.181 -7.528 1.00 0.00 H new ATOM 0 HG21 THR C 6 10.681 -29.372 -6.067 1.00 0.00 H new ATOM 0 HG22 THR C 6 12.239 -28.512 -6.055 1.00 0.00 H new ATOM 0 HG23 THR C 6 11.135 -28.335 -7.439 1.00 0.00 H new ATOM 994 N ALA C 7 15.145 -31.367 -7.738 1.00 0.00 N ATOM 995 CA ALA C 7 16.105 -32.462 -7.921 1.00 0.00 C ATOM 996 C ALA C 7 16.479 -33.148 -6.586 1.00 0.00 C ATOM 997 O ALA C 7 16.257 -32.580 -5.508 1.00 0.00 O ATOM 998 CB ALA C 7 17.345 -31.899 -8.634 1.00 0.00 C ATOM 0 H ALA C 7 15.243 -30.908 -6.833 1.00 0.00 H new ATOM 0 HA ALA C 7 15.646 -33.240 -8.531 1.00 0.00 H new ATOM 0 HB1 ALA C 7 18.074 -32.696 -8.781 1.00 0.00 H new ATOM 0 HB2 ALA C 7 17.054 -31.490 -9.602 1.00 0.00 H new ATOM 0 HB3 ALA C 7 17.788 -31.110 -8.026 1.00 0.00 H new ATOM 1004 N ARG C 8 17.089 -34.346 -6.683 1.00 0.00 N ATOM 1005 CA ARG C 8 17.484 -35.262 -5.583 1.00 0.00 C ATOM 1006 C ARG C 8 16.294 -35.857 -4.798 1.00 0.00 C ATOM 1007 O ARG C 8 15.225 -35.252 -4.689 1.00 0.00 O ATOM 1008 CB ARG C 8 18.555 -34.578 -4.700 1.00 0.00 C ATOM 1009 CG ARG C 8 19.323 -35.535 -3.772 1.00 0.00 C ATOM 1010 CD ARG C 8 20.413 -34.808 -2.968 1.00 0.00 C ATOM 1011 NE ARG C 8 21.490 -34.265 -3.826 1.00 0.00 N ATOM 1012 CZ ARG C 8 22.565 -34.895 -4.271 1.00 0.00 C ATOM 1013 NH1 ARG C 8 22.814 -36.144 -3.990 1.00 0.00 N1+ ATOM 1014 NH2 ARG C 8 23.422 -34.267 -5.023 1.00 0.00 N ATOM 0 H ARG C 8 17.338 -34.730 -7.594 1.00 0.00 H new ATOM 0 HA ARG C 8 17.937 -36.148 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG C 8 19.269 -34.068 -5.347 1.00 0.00 H new ATOM 0 HB3 ARG C 8 18.072 -33.813 -4.092 1.00 0.00 H new ATOM 0 HG2 ARG C 8 18.624 -36.013 -3.085 1.00 0.00 H new ATOM 0 HG3 ARG C 8 19.778 -36.328 -4.366 1.00 0.00 H new ATOM 0 HD2 ARG C 8 19.959 -33.994 -2.403 1.00 0.00 H new ATOM 0 HD3 ARG C 8 20.845 -35.498 -2.243 1.00 0.00 H new ATOM 0 HE ARG C 8 21.392 -33.290 -4.108 1.00 0.00 H new ATOM 0 HH11 ARG C 8 22.167 -36.674 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG C 8 23.655 -36.591 -4.354 1.00 0.00 H new ATOM 0 HH21 ARG C 8 23.265 -33.290 -5.269 1.00 0.00 H new ATOM 0 HH22 ARG C 8 24.251 -34.752 -5.366 1.00 0.00 H new ATOM 1028 N LYS C 9 16.472 -37.076 -4.269 1.00 0.00 N ATOM 1029 CA LYS C 9 15.476 -37.789 -3.437 1.00 0.00 C ATOM 1030 C LYS C 9 15.248 -37.094 -2.084 1.00 0.00 C ATOM 1031 O LYS C 9 16.128 -36.390 -1.576 1.00 0.00 O ATOM 1032 CB LYS C 9 15.916 -39.255 -3.219 1.00 0.00 C ATOM 1033 CG LYS C 9 16.078 -40.092 -4.500 1.00 0.00 C ATOM 1034 CD LYS C 9 14.777 -40.251 -5.302 1.00 0.00 C ATOM 1035 CE LYS C 9 15.000 -41.207 -6.484 1.00 0.00 C ATOM 1036 NZ LYS C 9 13.756 -41.412 -7.278 1.00 0.00 N1+ ATOM 0 H LYS C 9 17.330 -37.611 -4.407 1.00 0.00 H new ATOM 0 HA LYS C 9 14.528 -37.772 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS C 9 16.865 -39.256 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS C 9 15.185 -39.744 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS C 9 16.831 -39.626 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS C 9 16.453 -41.080 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS C 9 13.987 -40.636 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS C 9 14.445 -39.279 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS C 9 15.781 -40.808 -7.131 1.00 0.00 H new ATOM 0 HE3 LYS C 9 15.355 -42.168 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS C 9 13.950 -42.063 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS C 9 13.018 -41.817 -6.668 1.00 0.00 H new ATOM 0 HZ3 LYS C 9 13.431 -40.499 -7.656 1.00 0.00 H new ATOM 1050 N SER C 10 14.072 -37.307 -1.493 1.00 0.00 N ATOM 1051 CA SER C 10 13.677 -36.756 -0.183 1.00 0.00 C ATOM 1052 C SER C 10 14.543 -37.279 0.978 1.00 0.00 C ATOM 1053 O SER C 10 15.052 -38.406 0.934 1.00 0.00 O ATOM 1054 CB SER C 10 12.207 -37.077 0.111 1.00 0.00 C ATOM 1055 OG SER C 10 11.364 -36.611 -0.938 1.00 0.00 O ATOM 0 H SER C 10 13.344 -37.882 -1.918 1.00 0.00 H new ATOM 0 HA SER C 10 13.827 -35.679 -0.250 1.00 0.00 H new ATOM 0 HB2 SER C 10 12.083 -38.153 0.231 1.00 0.00 H new ATOM 0 HB3 SER C 10 11.911 -36.615 1.053 1.00 0.00 H new ATOM 0 HG SER C 10 10.431 -36.828 -0.729 1.00 0.00 H new ATOM 1061 N THR C 11 14.677 -36.468 2.035 1.00 0.00 N ATOM 1062 CA THR C 11 15.354 -36.823 3.301 1.00 0.00 C ATOM 1063 C THR C 11 14.614 -37.901 4.103 1.00 0.00 C ATOM 1064 O THR C 11 15.296 -38.798 4.650 1.00 0.00 O ATOM 1065 CB THR C 11 15.577 -35.591 4.186 1.00 0.00 C ATOM 1066 OG1 THR C 11 14.375 -34.870 4.380 1.00 0.00 O ATOM 1067 CG2 THR C 11 16.612 -34.636 3.583 1.00 0.00 C ATOM 0 H THR C 11 14.308 -35.517 2.039 1.00 0.00 H new ATOM 0 HA THR C 11 16.318 -37.236 3.005 1.00 0.00 H new ATOM 0 HB THR C 11 15.943 -35.968 5.141 1.00 0.00 H new ATOM 0 HG1 THR C 11 13.611 -35.477 4.287 1.00 0.00 H new ATOM 0 HG21 THR C 11 16.741 -33.776 4.241 1.00 0.00 H new ATOM 0 HG22 THR C 11 17.565 -35.154 3.473 1.00 0.00 H new ATOM 0 HG23 THR C 11 16.268 -34.297 2.606 1.00 0.00 H new HETATM 1075 N NH2 C 12 13.364 -37.851 4.202 1.00 0.00 N TER 1078 NH2 C 12 HETATM 1079 ZN ZN A 800 5.702 -9.488 -12.360 1.00 0.00 ZN HETATM 1080 ZN ZN A 801 0.772 -21.864 -7.600 1.00 0.00 ZN