USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 HIS :FLIP no HE2:sc= -6.99! C(o=-8.8!,f=-7!) USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= -0.243 USER MOD Set 1.3: A 96 SER OG : rot 95:sc= 0.248 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 48 ASN :FLIP amide:sc= 0.28 F(o=-8.4!,f=0.16) USER MOD Set 2.3: A 73 ASN : amide:sc= -0.116 K(o=0.16,f=-8!) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= -0.0136 (180deg=-0.216) USER MOD Single : A 11 THR OG1 : rot 122:sc= 1.2 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -1.14 F(o=-3!,f=-1.1) USER MOD Single : A 27 THR OG1 : rot 89:sc= 0.71 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= -0.956 (180deg=-1.04) USER MOD Single : A 42 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 43 THR OG1 : rot 36:sc= -2.03! USER MOD Single : A 47 ASN : amide:sc= -1.7! C(o=-1.7!,f=-3.7!) USER MOD Single : A 49 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.058) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.4!) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.74 F(o=-4.7,f=-1.7) USER MOD Single : A 62 THR OG1 : rot -81:sc= 1.29 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 67 ASN : amide:sc= 0.598 K(o=0.6,f=-5.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 92:sc= 0.0423 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= 1.18 (180deg=1) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00966) USER MOD Single : A 85 THR OG1 : rot -28:sc= -0.449 USER MOD Single : A 87 ASN :FLIP amide:sc= -1.34 F(o=-3.3,f=-1.3) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.00928 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 49:sc= -0.212 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.225 -6.590 1.769 1.00 0.00 N ATOM 27 CA ASP A 3 14.243 -6.652 2.838 1.00 0.00 C ATOM 28 C ASP A 3 13.521 -5.311 2.989 1.00 0.00 C ATOM 29 O ASP A 3 14.103 -4.297 3.375 1.00 0.00 O ATOM 30 CB ASP A 3 14.877 -7.120 4.156 1.00 0.00 C ATOM 31 CG ASP A 3 16.089 -6.318 4.583 1.00 0.00 C ATOM 32 OD1 ASP A 3 17.111 -6.327 3.866 1.00 0.00 O ATOM 33 OD2 ASP A 3 16.033 -5.713 5.663 1.00 0.00 O ATOM 0 HA ASP A 3 13.494 -7.397 2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.126 -7.070 4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.165 -8.166 4.056 1.00 0.00 H new ATOM 38 N PRO A 4 12.231 -5.316 2.623 1.00 0.00 N ATOM 39 CA PRO A 4 11.368 -4.123 2.533 1.00 0.00 C ATOM 40 C PRO A 4 11.306 -3.183 3.760 1.00 0.00 C ATOM 41 O PRO A 4 10.616 -2.176 3.699 1.00 0.00 O ATOM 42 CB PRO A 4 9.974 -4.686 2.252 1.00 0.00 C ATOM 43 CG PRO A 4 10.079 -6.170 2.290 1.00 0.00 C ATOM 44 CD PRO A 4 11.522 -6.526 2.168 1.00 0.00 C ATOM 0 HA PRO A 4 11.787 -3.472 1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.260 -4.332 2.996 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.613 -4.351 1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.667 -6.559 3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.505 -6.615 1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.773 -7.390 2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.785 -6.779 1.141 1.00 0.00 H new ATOM 52 N LYS A 5 11.996 -3.482 4.858 1.00 0.00 N ATOM 53 CA LYS A 5 11.868 -2.671 6.092 1.00 0.00 C ATOM 54 C LYS A 5 12.439 -1.246 5.993 1.00 0.00 C ATOM 55 O LYS A 5 12.570 -0.572 7.012 1.00 0.00 O ATOM 56 CB LYS A 5 12.532 -3.367 7.287 1.00 0.00 C ATOM 57 CG LYS A 5 13.971 -3.847 7.052 1.00 0.00 C ATOM 58 CD LYS A 5 14.935 -2.692 6.783 1.00 0.00 C ATOM 59 CE LYS A 5 16.393 -3.126 6.812 1.00 0.00 C ATOM 60 NZ LYS A 5 16.824 -3.563 8.166 1.00 0.00 N ATOM 0 H LYS A 5 12.644 -4.266 4.931 1.00 0.00 H new ATOM 0 HA LYS A 5 10.791 -2.581 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.530 -2.680 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.922 -4.225 7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.312 -4.405 7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.988 -4.535 6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.709 -2.255 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.777 -1.912 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.541 -3.942 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.023 -2.300 6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.862 -3.605 8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.479 -2.885 8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.432 -4.505 8.368 1.00 0.00 H new ATOM 74 N HIS A 6 12.778 -0.782 4.798 1.00 0.00 N ATOM 75 CA HIS A 6 13.538 0.464 4.669 1.00 0.00 C ATOM 76 C HIS A 6 12.659 1.722 4.735 1.00 0.00 C ATOM 77 O HIS A 6 13.128 2.818 4.428 1.00 0.00 O ATOM 78 CB HIS A 6 14.426 0.460 3.413 1.00 0.00 C ATOM 79 CG HIS A 6 13.834 -0.216 2.222 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.286 0.305 1.117 1.00 0.00 N flip ATOM 81 CD2 HIS A 6 13.755 -1.584 2.075 1.00 0.00 C flip ATOM 82 CE1 HIS A 6 12.879 -0.735 0.320 1.00 0.00 C flip ATOM 83 NE2 HIS A 6 13.170 -1.860 0.926 1.00 0.00 N flip ATOM 0 H HIS A 6 12.546 -1.237 3.915 1.00 0.00 H new ATOM 0 HA HIS A 6 14.191 0.507 5.541 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.658 1.491 3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.370 -0.027 3.656 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.188 1.298 0.905 1.00 0.00 H new ATOM 0 HD2 HIS A 6 14.114 -2.313 2.786 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.400 -0.642 -0.644 1.00 0.00 H new ATOM 92 N VAL A 7 11.397 1.538 5.152 1.00 0.00 N ATOM 93 CA VAL A 7 10.465 2.628 5.520 1.00 0.00 C ATOM 94 C VAL A 7 10.421 3.791 4.504 1.00 0.00 C ATOM 95 O VAL A 7 10.743 3.609 3.336 1.00 0.00 O ATOM 96 CB VAL A 7 10.758 3.142 6.953 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.785 1.965 7.926 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.054 3.943 7.034 1.00 0.00 C ATOM 0 H VAL A 7 10.982 0.611 5.247 1.00 0.00 H new ATOM 0 HA VAL A 7 9.468 2.189 5.497 1.00 0.00 H new ATOM 0 HB VAL A 7 9.955 3.825 7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.991 2.330 8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.819 1.460 7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.564 1.264 7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.211 4.279 8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.890 3.315 6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.989 4.809 6.375 1.00 0.00 H new ATOM 108 N CYS A 8 9.951 4.963 4.945 1.00 0.00 N ATOM 109 CA CYS A 8 9.745 6.108 4.053 1.00 0.00 C ATOM 110 C CYS A 8 9.952 7.440 4.761 1.00 0.00 C ATOM 111 O CYS A 8 9.743 7.560 5.972 1.00 0.00 O ATOM 112 CB CYS A 8 8.307 6.073 3.514 1.00 0.00 C ATOM 113 SG CYS A 8 6.998 6.358 4.761 1.00 0.00 S ATOM 0 H CYS A 8 9.705 5.143 5.918 1.00 0.00 H new ATOM 0 HA CYS A 8 10.478 6.029 3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.211 6.826 2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.135 5.104 3.046 1.00 0.00 H new ATOM 118 N VAL A 9 10.352 8.425 3.973 1.00 0.00 N ATOM 119 CA VAL A 9 10.302 9.816 4.349 1.00 0.00 C ATOM 120 C VAL A 9 10.069 10.596 3.063 1.00 0.00 C ATOM 121 O VAL A 9 11.001 10.919 2.321 1.00 0.00 O ATOM 122 CB VAL A 9 11.633 10.268 4.987 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.715 9.849 6.446 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.811 9.686 4.211 1.00 0.00 C ATOM 0 H VAL A 9 10.727 8.270 3.037 1.00 0.00 H new ATOM 0 HA VAL A 9 9.514 9.985 5.083 1.00 0.00 H new ATOM 0 HB VAL A 9 11.675 11.356 4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.664 10.182 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.893 10.301 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.647 8.763 6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.745 10.011 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.757 8.598 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.774 10.033 3.178 1.00 0.00 H new ATOM 134 N ASP A 10 8.824 10.928 2.830 1.00 0.00 N ATOM 135 CA ASP A 10 8.417 11.446 1.537 1.00 0.00 C ATOM 136 C ASP A 10 7.587 12.704 1.679 1.00 0.00 C ATOM 137 O ASP A 10 7.257 13.087 2.796 1.00 0.00 O ATOM 138 CB ASP A 10 7.651 10.364 0.769 1.00 0.00 C ATOM 139 CG ASP A 10 7.233 10.778 -0.633 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.073 11.340 -1.370 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.056 10.576 -0.999 1.00 0.00 O ATOM 0 H ASP A 10 8.072 10.851 3.514 1.00 0.00 H new ATOM 0 HA ASP A 10 9.311 11.716 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.273 9.471 0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.761 10.091 1.337 1.00 0.00 H new ATOM 146 N THR A 11 7.342 13.344 0.535 1.00 0.00 N ATOM 147 CA THR A 11 6.205 14.227 0.295 1.00 0.00 C ATOM 148 C THR A 11 5.748 15.087 1.487 1.00 0.00 C ATOM 149 O THR A 11 5.368 14.596 2.553 1.00 0.00 O ATOM 150 CB THR A 11 5.057 13.343 -0.207 1.00 0.00 C ATOM 151 OG1 THR A 11 5.259 13.012 -1.583 1.00 0.00 O ATOM 152 CG2 THR A 11 3.700 13.977 -0.014 1.00 0.00 C ATOM 0 H THR A 11 7.953 13.257 -0.277 1.00 0.00 H new ATOM 0 HA THR A 11 6.523 14.971 -0.435 1.00 0.00 H new ATOM 0 HB THR A 11 5.067 12.435 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.299 12.038 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.928 13.305 -0.388 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.534 14.166 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.657 14.919 -0.561 1.00 0.00 H new ATOM 160 N ARG A 12 5.701 16.390 1.219 1.00 0.00 N ATOM 161 CA ARG A 12 5.402 17.412 2.224 1.00 0.00 C ATOM 162 C ARG A 12 4.164 17.052 3.031 1.00 0.00 C ATOM 163 O ARG A 12 4.101 17.305 4.236 1.00 0.00 O ATOM 164 CB ARG A 12 5.182 18.767 1.562 1.00 0.00 C ATOM 165 CG ARG A 12 6.008 18.995 0.307 1.00 0.00 C ATOM 166 CD ARG A 12 7.500 18.811 0.552 1.00 0.00 C ATOM 167 NE ARG A 12 8.277 19.054 -0.663 1.00 0.00 N ATOM 168 CZ ARG A 12 9.285 19.915 -0.743 1.00 0.00 C ATOM 169 NH1 ARG A 12 9.656 20.620 0.320 1.00 0.00 N ATOM 170 NH2 ARG A 12 9.930 20.067 -1.892 1.00 0.00 N ATOM 0 H ARG A 12 5.871 16.772 0.289 1.00 0.00 H new ATOM 0 HA ARG A 12 6.259 17.464 2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.126 18.867 1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.414 19.551 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.682 18.303 -0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.826 20.003 -0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.828 19.493 1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.689 17.799 0.910 1.00 0.00 H new ATOM 0 HE ARG A 12 8.029 18.529 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.166 20.502 1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.431 21.279 0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.651 19.524 -2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.705 20.727 -1.958 1.00 0.00 H new ATOM 184 N ASP A 13 3.177 16.476 2.357 1.00 0.00 N ATOM 185 CA ASP A 13 1.973 16.004 3.024 1.00 0.00 C ATOM 186 C ASP A 13 1.423 14.773 2.318 1.00 0.00 C ATOM 187 O ASP A 13 0.645 14.886 1.367 1.00 0.00 O ATOM 188 CB ASP A 13 0.913 17.105 3.058 1.00 0.00 C ATOM 189 CG ASP A 13 -0.223 16.789 4.010 1.00 0.00 C ATOM 190 OD1 ASP A 13 -1.210 16.157 3.585 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.142 17.189 5.192 1.00 0.00 O ATOM 0 H ASP A 13 3.188 16.325 1.348 1.00 0.00 H new ATOM 0 HA ASP A 13 2.232 15.736 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.379 18.045 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.512 17.250 2.055 1.00 0.00 H new ATOM 196 N ILE A 14 1.868 13.596 2.749 1.00 0.00 N ATOM 197 CA ILE A 14 1.312 12.349 2.238 1.00 0.00 C ATOM 198 C ILE A 14 -0.108 12.212 2.732 1.00 0.00 C ATOM 199 O ILE A 14 -0.382 12.387 3.922 1.00 0.00 O ATOM 200 CB ILE A 14 2.159 11.119 2.645 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.522 11.216 1.991 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.494 9.805 2.251 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.650 11.069 2.959 1.00 0.00 C ATOM 0 H ILE A 14 2.605 13.481 3.444 1.00 0.00 H new ATOM 0 HA ILE A 14 1.326 12.384 1.149 1.00 0.00 H new ATOM 0 HB ILE A 14 2.254 11.123 3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.606 10.445 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.608 12.178 1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.126 8.971 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.525 9.726 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.355 9.777 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.598 11.148 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.589 11.856 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.587 10.096 3.446 1.00 0.00 H new ATOM 215 N PRO A 15 -1.015 11.901 1.809 1.00 0.00 N ATOM 216 CA PRO A 15 -2.458 11.949 2.041 1.00 0.00 C ATOM 217 C PRO A 15 -2.892 11.199 3.287 1.00 0.00 C ATOM 218 O PRO A 15 -2.270 10.217 3.692 1.00 0.00 O ATOM 219 CB PRO A 15 -2.998 11.243 0.810 1.00 0.00 C ATOM 220 CG PRO A 15 -2.023 11.574 -0.243 1.00 0.00 C ATOM 221 CD PRO A 15 -0.712 11.425 0.441 1.00 0.00 C ATOM 0 HA PRO A 15 -2.813 12.968 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.069 10.166 0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.998 11.594 0.554 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.110 10.901 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.167 12.587 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.366 10.391 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.065 12.023 -0.035 1.00 0.00 H new ATOM 229 N LYS A 16 -3.960 11.672 3.895 1.00 0.00 N ATOM 230 CA LYS A 16 -4.619 10.926 4.929 1.00 0.00 C ATOM 231 C LYS A 16 -5.130 9.639 4.310 1.00 0.00 C ATOM 232 O LYS A 16 -5.536 9.640 3.153 1.00 0.00 O ATOM 233 CB LYS A 16 -5.764 11.747 5.503 1.00 0.00 C ATOM 234 CG LYS A 16 -6.491 11.081 6.649 1.00 0.00 C ATOM 235 CD LYS A 16 -5.565 10.813 7.822 1.00 0.00 C ATOM 236 CE LYS A 16 -6.322 10.215 8.998 1.00 0.00 C ATOM 237 NZ LYS A 16 -5.423 9.895 10.137 1.00 0.00 N ATOM 0 H LYS A 16 -4.386 12.574 3.685 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.934 10.697 5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.373 12.706 5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.479 11.958 4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.316 11.715 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.926 10.142 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.771 10.132 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.086 11.742 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.090 10.915 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.835 9.309 8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.980 9.490 10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.706 9.207 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.953 10.764 10.463 1.00 0.00 H new ATOM 251 N ASN A 17 -5.080 8.547 5.066 1.00 0.00 N ATOM 252 CA ASN A 17 -5.467 7.214 4.566 1.00 0.00 C ATOM 253 C ASN A 17 -4.436 6.724 3.558 1.00 0.00 C ATOM 254 O ASN A 17 -4.631 5.716 2.876 1.00 0.00 O ATOM 255 CB ASN A 17 -6.853 7.219 3.904 1.00 0.00 C ATOM 256 CG ASN A 17 -7.919 7.876 4.746 1.00 0.00 C ATOM 257 OD1 ASN A 17 -8.035 9.178 4.595 1.00 0.00 O flip ATOM 258 ND2 ASN A 17 -8.608 7.229 5.531 1.00 0.00 N flip ATOM 0 H ASN A 17 -4.773 8.551 6.039 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.509 6.546 5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.788 7.735 2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.150 6.192 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.479 6.220 5.611 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.309 7.701 6.103 1.00 0.00 H new ATOM 265 N ALA A 18 -3.348 7.464 3.454 1.00 0.00 N ATOM 266 CA ALA A 18 -2.243 7.105 2.591 1.00 0.00 C ATOM 267 C ALA A 18 -0.976 6.944 3.399 1.00 0.00 C ATOM 268 O ALA A 18 -0.851 7.475 4.503 1.00 0.00 O ATOM 269 CB ALA A 18 -2.022 8.148 1.505 1.00 0.00 C ATOM 0 H ALA A 18 -3.207 8.334 3.968 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.495 6.158 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.185 7.846 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.921 8.235 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.801 9.111 1.965 1.00 0.00 H new ATOM 275 N GLY A 19 -0.050 6.203 2.846 1.00 0.00 N ATOM 276 CA GLY A 19 1.236 6.032 3.468 1.00 0.00 C ATOM 277 C GLY A 19 2.346 6.112 2.457 1.00 0.00 C ATOM 278 O GLY A 19 2.115 5.919 1.264 1.00 0.00 O ATOM 0 H GLY A 19 -0.164 5.707 1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.379 6.798 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.272 5.068 3.975 1.00 0.00 H new ATOM 282 N CYS A 20 3.546 6.381 2.923 1.00 0.00 N ATOM 283 CA CYS A 20 4.668 6.578 2.053 1.00 0.00 C ATOM 284 C CYS A 20 5.588 5.411 2.140 1.00 0.00 C ATOM 285 O CYS A 20 5.569 4.669 3.124 1.00 0.00 O ATOM 286 CB CYS A 20 5.406 7.867 2.417 1.00 0.00 C ATOM 287 SG CYS A 20 5.976 8.039 4.170 1.00 0.00 S ATOM 0 H CYS A 20 3.764 6.468 3.916 1.00 0.00 H new ATOM 0 HA CYS A 20 4.307 6.667 1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.277 7.955 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.752 8.709 2.189 1.00 0.00 H new ATOM 292 N PHE A 21 6.305 5.154 1.080 1.00 0.00 N ATOM 293 CA PHE A 21 7.394 4.234 1.192 1.00 0.00 C ATOM 294 C PHE A 21 8.578 4.595 0.313 1.00 0.00 C ATOM 295 O PHE A 21 8.430 4.910 -0.868 1.00 0.00 O ATOM 296 CB PHE A 21 6.939 2.827 0.965 1.00 0.00 C ATOM 297 CG PHE A 21 8.019 1.866 1.322 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.955 1.483 0.389 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.121 1.374 2.613 1.00 0.00 C ATOM 300 CE1 PHE A 21 9.972 0.634 0.728 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.138 0.514 2.957 1.00 0.00 C ATOM 302 CZ PHE A 21 10.067 0.145 2.012 1.00 0.00 C ATOM 0 H PHE A 21 6.159 5.558 0.155 1.00 0.00 H new ATOM 0 HA PHE A 21 7.756 4.309 2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.051 2.624 1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.656 2.694 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.886 1.857 -0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.395 1.668 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.703 0.346 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.207 0.130 3.964 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.870 -0.527 2.277 1.00 0.00 H new ATOM 312 N ARG A 22 9.755 4.474 0.907 1.00 0.00 N ATOM 313 CA ARG A 22 11.003 4.850 0.278 1.00 0.00 C ATOM 314 C ARG A 22 11.846 3.611 0.046 1.00 0.00 C ATOM 315 O ARG A 22 12.205 2.920 0.996 1.00 0.00 O ATOM 316 CB ARG A 22 11.722 5.843 1.184 1.00 0.00 C ATOM 317 CG ARG A 22 13.047 6.321 0.656 1.00 0.00 C ATOM 318 CD ARG A 22 13.373 7.692 1.195 1.00 0.00 C ATOM 319 NE ARG A 22 13.701 8.601 0.106 1.00 0.00 N ATOM 320 CZ ARG A 22 14.431 9.704 0.237 1.00 0.00 C ATOM 321 NH1 ARG A 22 14.970 10.013 1.410 1.00 0.00 N ATOM 322 NH2 ARG A 22 14.634 10.499 -0.812 1.00 0.00 N ATOM 0 H ARG A 22 9.867 4.107 1.852 1.00 0.00 H new ATOM 0 HA ARG A 22 10.821 5.320 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.075 6.706 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.879 5.380 2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.831 5.618 0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.021 6.350 -0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.524 8.080 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.212 7.627 1.888 1.00 0.00 H new ATOM 0 HE ARG A 22 13.345 8.375 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.825 9.403 2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.530 10.860 1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.229 10.262 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.194 11.345 -0.710 1.00 0.00 H new ATOM 336 N ASP A 23 12.163 3.325 -1.206 1.00 0.00 N ATOM 337 CA ASP A 23 12.762 2.035 -1.536 1.00 0.00 C ATOM 338 C ASP A 23 14.285 2.065 -1.465 1.00 0.00 C ATOM 339 O ASP A 23 14.893 3.108 -1.223 1.00 0.00 O ATOM 340 CB ASP A 23 12.307 1.511 -2.904 1.00 0.00 C ATOM 341 CG ASP A 23 13.307 1.769 -4.013 1.00 0.00 C ATOM 342 OD1 ASP A 23 13.578 2.942 -4.324 1.00 0.00 O ATOM 343 OD2 ASP A 23 13.850 0.784 -4.555 1.00 0.00 O ATOM 0 H ASP A 23 12.021 3.951 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 23 12.403 1.344 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.125 0.439 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.358 1.978 -3.166 1.00 0.00 H new ATOM 348 N ASP A 24 14.884 0.904 -1.689 1.00 0.00 N ATOM 349 CA ASP A 24 16.324 0.718 -1.589 1.00 0.00 C ATOM 350 C ASP A 24 17.067 1.514 -2.665 1.00 0.00 C ATOM 351 O ASP A 24 18.197 1.962 -2.460 1.00 0.00 O ATOM 352 CB ASP A 24 16.628 -0.770 -1.717 1.00 0.00 C ATOM 353 CG ASP A 24 18.101 -1.096 -1.579 1.00 0.00 C ATOM 354 OD1 ASP A 24 18.588 -1.179 -0.434 1.00 0.00 O ATOM 355 OD2 ASP A 24 18.773 -1.299 -2.613 1.00 0.00 O ATOM 0 H ASP A 24 14.379 0.057 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 24 16.668 1.089 -0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.070 -1.314 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.274 -1.124 -2.685 1.00 0.00 H new ATOM 360 N ASP A 25 16.415 1.704 -3.807 1.00 0.00 N ATOM 361 CA ASP A 25 17.001 2.458 -4.913 1.00 0.00 C ATOM 362 C ASP A 25 17.035 3.951 -4.580 1.00 0.00 C ATOM 363 O ASP A 25 17.757 4.727 -5.206 1.00 0.00 O ATOM 364 CB ASP A 25 16.193 2.212 -6.195 1.00 0.00 C ATOM 365 CG ASP A 25 16.776 2.893 -7.421 1.00 0.00 C ATOM 366 OD1 ASP A 25 17.640 2.290 -8.089 1.00 0.00 O ATOM 367 OD2 ASP A 25 16.348 4.021 -7.744 1.00 0.00 O ATOM 0 H ASP A 25 15.478 1.346 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 25 18.025 2.119 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.136 1.139 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.173 2.564 -6.045 1.00 0.00 H new ATOM 372 N GLY A 26 16.262 4.345 -3.574 1.00 0.00 N ATOM 373 CA GLY A 26 16.210 5.739 -3.174 1.00 0.00 C ATOM 374 C GLY A 26 14.958 6.416 -3.683 1.00 0.00 C ATOM 375 O GLY A 26 14.824 7.639 -3.617 1.00 0.00 O ATOM 0 H GLY A 26 15.669 3.722 -3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.246 5.808 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.088 6.261 -3.555 1.00 0.00 H new ATOM 379 N THR A 27 14.040 5.612 -4.190 1.00 0.00 N ATOM 380 CA THR A 27 12.798 6.106 -4.748 1.00 0.00 C ATOM 381 C THR A 27 11.805 6.382 -3.649 1.00 0.00 C ATOM 382 O THR A 27 11.827 5.721 -2.611 1.00 0.00 O ATOM 383 CB THR A 27 12.185 5.064 -5.695 1.00 0.00 C ATOM 384 OG1 THR A 27 13.218 4.445 -6.470 1.00 0.00 O ATOM 385 CG2 THR A 27 11.146 5.679 -6.617 1.00 0.00 C ATOM 0 H THR A 27 14.137 4.597 -4.225 1.00 0.00 H new ATOM 0 HA THR A 27 13.018 7.023 -5.294 1.00 0.00 H new ATOM 0 HB THR A 27 11.683 4.315 -5.083 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.569 3.669 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.737 4.908 -7.270 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.343 6.113 -6.022 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.611 6.458 -7.222 1.00 0.00 H new ATOM 393 N GLU A 28 10.939 7.349 -3.872 1.00 0.00 N ATOM 394 CA GLU A 28 9.906 7.628 -2.919 1.00 0.00 C ATOM 395 C GLU A 28 8.551 7.777 -3.551 1.00 0.00 C ATOM 396 O GLU A 28 8.380 8.399 -4.605 1.00 0.00 O ATOM 397 CB GLU A 28 10.270 8.811 -2.057 1.00 0.00 C ATOM 398 CG GLU A 28 10.781 8.302 -0.744 1.00 0.00 C ATOM 399 CD GLU A 28 9.656 7.967 0.213 1.00 0.00 C ATOM 400 OE1 GLU A 28 8.568 7.581 -0.250 1.00 0.00 O ATOM 401 OE2 GLU A 28 9.863 8.094 1.434 1.00 0.00 O ATOM 0 H GLU A 28 10.936 7.945 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 28 9.830 6.757 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.029 9.419 -2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.400 9.450 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.390 7.414 -0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.430 9.053 -0.292 1.00 0.00 H new ATOM 408 N GLU A 29 7.603 7.173 -2.883 1.00 0.00 N ATOM 409 CA GLU A 29 6.258 7.032 -3.374 1.00 0.00 C ATOM 410 C GLU A 29 5.315 7.006 -2.201 1.00 0.00 C ATOM 411 O GLU A 29 5.700 6.650 -1.089 1.00 0.00 O ATOM 412 CB GLU A 29 6.104 5.725 -4.156 1.00 0.00 C ATOM 413 CG GLU A 29 4.732 5.534 -4.781 1.00 0.00 C ATOM 414 CD GLU A 29 4.552 6.325 -6.056 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.360 7.557 -5.984 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.597 5.712 -7.144 1.00 0.00 O ATOM 0 H GLU A 29 7.748 6.757 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 29 6.033 7.869 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.857 5.694 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.307 4.888 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.578 4.476 -4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.967 5.831 -4.064 1.00 0.00 H new ATOM 423 N TRP A 30 4.091 7.357 -2.446 1.00 0.00 N ATOM 424 CA TRP A 30 3.065 7.137 -1.471 1.00 0.00 C ATOM 425 C TRP A 30 1.896 6.451 -2.139 1.00 0.00 C ATOM 426 O TRP A 30 1.692 6.564 -3.349 1.00 0.00 O ATOM 427 CB TRP A 30 2.654 8.431 -0.762 1.00 0.00 C ATOM 428 CG TRP A 30 2.106 9.493 -1.657 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.740 10.631 -2.054 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.809 9.521 -2.249 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.906 11.378 -2.850 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.714 10.712 -2.989 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.286 8.651 -2.220 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.431 11.052 -3.696 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.418 8.992 -2.928 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.483 10.186 -3.655 1.00 0.00 C ATOM 0 H TRP A 30 3.777 7.797 -3.311 1.00 0.00 H new ATOM 0 HA TRP A 30 3.453 6.489 -0.685 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.906 8.192 -0.006 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.521 8.831 -0.237 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.749 10.905 -1.783 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.135 12.279 -3.269 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.245 7.732 -1.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.487 11.972 -4.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.269 8.327 -2.922 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.387 10.427 -4.195 1.00 0.00 H new ATOM 447 N ARG A 31 1.158 5.712 -1.357 1.00 0.00 N ATOM 448 CA ARG A 31 0.039 4.933 -1.857 1.00 0.00 C ATOM 449 C ARG A 31 -1.113 5.020 -0.888 1.00 0.00 C ATOM 450 O ARG A 31 -0.997 5.626 0.174 1.00 0.00 O ATOM 451 CB ARG A 31 0.415 3.470 -2.080 1.00 0.00 C ATOM 452 CG ARG A 31 1.436 3.245 -3.182 1.00 0.00 C ATOM 453 CD ARG A 31 1.578 1.770 -3.535 1.00 0.00 C ATOM 454 NE ARG A 31 2.781 1.524 -4.328 1.00 0.00 N ATOM 455 CZ ARG A 31 3.094 0.357 -4.894 1.00 0.00 C ATOM 456 NH1 ARG A 31 2.343 -0.718 -4.693 1.00 0.00 N ATOM 457 NH2 ARG A 31 4.190 0.252 -5.634 1.00 0.00 N ATOM 0 H ARG A 31 1.309 5.627 -0.352 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.251 5.350 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.808 3.063 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.488 2.908 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.140 3.804 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.403 3.637 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.616 1.178 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.700 1.442 -4.092 1.00 0.00 H new ATOM 0 HE ARG A 31 3.429 2.301 -4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.515 -0.658 -4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.593 -1.604 -5.132 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.793 1.063 -5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.430 -0.640 -6.067 1.00 0.00 H new ATOM 471 N CYS A 32 -2.199 4.363 -1.226 1.00 0.00 N ATOM 472 CA CYS A 32 -3.419 4.466 -0.459 1.00 0.00 C ATOM 473 C CYS A 32 -3.646 3.146 0.219 1.00 0.00 C ATOM 474 O CYS A 32 -3.613 2.096 -0.423 1.00 0.00 O ATOM 475 CB CYS A 32 -4.605 4.770 -1.381 1.00 0.00 C ATOM 476 SG CYS A 32 -4.362 6.234 -2.426 1.00 0.00 S ATOM 0 H CYS A 32 -2.262 3.746 -2.036 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.333 5.272 0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.788 3.906 -2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.499 4.913 -0.773 1.00 0.00 H new ATOM 481 N LEU A 33 -3.825 3.216 1.532 1.00 0.00 N ATOM 482 CA LEU A 33 -3.858 2.032 2.368 1.00 0.00 C ATOM 483 C LEU A 33 -4.913 1.057 1.869 1.00 0.00 C ATOM 484 O LEU A 33 -5.866 1.440 1.193 1.00 0.00 O ATOM 485 CB LEU A 33 -4.122 2.402 3.829 1.00 0.00 C ATOM 486 CG LEU A 33 -3.253 3.510 4.445 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.142 3.314 5.949 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.871 3.588 3.813 1.00 0.00 C ATOM 0 H LEU A 33 -3.950 4.091 2.041 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.882 1.549 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.166 2.704 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.999 1.502 4.432 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.747 4.459 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.524 4.105 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.136 3.351 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.686 2.346 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.299 4.387 4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.353 2.639 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.969 3.794 2.747 1.00 0.00 H new ATOM 500 N LEU A 34 -4.734 -0.195 2.229 1.00 0.00 N ATOM 501 CA LEU A 34 -5.477 -1.289 1.650 1.00 0.00 C ATOM 502 C LEU A 34 -6.975 -1.136 1.826 1.00 0.00 C ATOM 503 O LEU A 34 -7.468 -0.898 2.927 1.00 0.00 O ATOM 504 CB LEU A 34 -4.976 -2.587 2.261 1.00 0.00 C ATOM 505 CG LEU A 34 -3.467 -2.764 2.123 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.006 -4.070 2.732 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.073 -2.677 0.666 1.00 0.00 C ATOM 0 H LEU A 34 -4.061 -0.483 2.939 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.309 -1.294 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.245 -2.613 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.481 -3.426 1.783 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.974 -1.961 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.926 -4.164 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.260 -4.087 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.499 -4.901 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.994 -2.804 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.581 -3.461 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.359 -1.703 0.269 1.00 0.00 H new ATOM 519 N GLY A 35 -7.686 -1.253 0.716 1.00 0.00 N ATOM 520 CA GLY A 35 -9.114 -1.110 0.733 1.00 0.00 C ATOM 521 C GLY A 35 -9.544 0.268 0.302 1.00 0.00 C ATOM 522 O GLY A 35 -10.694 0.476 -0.060 1.00 0.00 O ATOM 0 H GLY A 35 -7.288 -1.447 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.561 -1.853 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.487 -1.310 1.737 1.00 0.00 H new ATOM 526 N TYR A 36 -8.619 1.212 0.319 1.00 0.00 N ATOM 527 CA TYR A 36 -8.955 2.600 0.039 1.00 0.00 C ATOM 528 C TYR A 36 -8.813 2.902 -1.443 1.00 0.00 C ATOM 529 O TYR A 36 -8.558 2.010 -2.251 1.00 0.00 O ATOM 530 CB TYR A 36 -8.076 3.536 0.856 1.00 0.00 C ATOM 531 CG TYR A 36 -8.198 3.317 2.346 1.00 0.00 C ATOM 532 CD1 TYR A 36 -9.152 2.455 2.875 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.343 3.957 3.213 1.00 0.00 C ATOM 534 CE1 TYR A 36 -9.250 2.245 4.231 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.429 3.753 4.578 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.384 2.895 5.083 1.00 0.00 C ATOM 537 OH TYR A 36 -8.474 2.687 6.440 1.00 0.00 O ATOM 0 H TYR A 36 -7.633 1.046 0.523 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.995 2.761 0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.036 3.399 0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.341 4.568 0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.829 1.941 2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.593 4.629 2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.000 1.575 4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.751 4.263 5.246 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.791 3.219 6.899 1.00 0.00 H new ATOM 547 N LYS A 37 -8.990 4.164 -1.794 1.00 0.00 N ATOM 548 CA LYS A 37 -8.963 4.575 -3.182 1.00 0.00 C ATOM 549 C LYS A 37 -8.345 5.953 -3.313 1.00 0.00 C ATOM 550 O LYS A 37 -8.135 6.649 -2.317 1.00 0.00 O ATOM 551 CB LYS A 37 -10.387 4.601 -3.739 1.00 0.00 C ATOM 552 CG LYS A 37 -11.317 5.517 -2.964 1.00 0.00 C ATOM 553 CD LYS A 37 -12.734 5.471 -3.501 1.00 0.00 C ATOM 554 CE LYS A 37 -13.639 6.422 -2.737 1.00 0.00 C ATOM 555 NZ LYS A 37 -15.001 6.508 -3.325 1.00 0.00 N ATOM 0 H LYS A 37 -9.154 4.922 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.361 3.862 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.357 4.922 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.793 3.589 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.318 5.228 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.943 6.540 -3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.734 5.735 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.122 4.455 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.714 6.093 -1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.189 7.415 -2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.579 7.169 -2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.935 6.848 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.444 5.567 -3.314 1.00 0.00 H new ATOM 569 N LYS A 38 -8.067 6.338 -4.546 1.00 0.00 N ATOM 570 CA LYS A 38 -7.519 7.649 -4.830 1.00 0.00 C ATOM 571 C LYS A 38 -8.649 8.625 -5.099 1.00 0.00 C ATOM 572 O LYS A 38 -9.536 8.356 -5.914 1.00 0.00 O ATOM 573 CB LYS A 38 -6.584 7.591 -6.037 1.00 0.00 C ATOM 574 CG LYS A 38 -5.568 8.709 -6.046 1.00 0.00 C ATOM 575 CD LYS A 38 -4.425 8.393 -5.107 1.00 0.00 C ATOM 576 CE LYS A 38 -3.288 7.701 -5.841 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.726 6.487 -6.582 1.00 0.00 N ATOM 0 H LYS A 38 -8.214 5.756 -5.370 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.946 7.985 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.063 6.633 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.176 7.637 -6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.187 8.854 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.044 9.643 -5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.060 9.313 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.781 7.755 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.835 8.403 -6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.516 7.423 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.898 6.021 -7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.195 5.830 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.391 6.760 -7.333 1.00 0.00 H new ATOM 591 N GLY A 39 -8.613 9.754 -4.410 1.00 0.00 N ATOM 592 CA GLY A 39 -9.678 10.721 -4.518 1.00 0.00 C ATOM 593 C GLY A 39 -9.416 11.762 -5.584 1.00 0.00 C ATOM 594 O GLY A 39 -9.705 11.544 -6.759 1.00 0.00 O ATOM 0 H GLY A 39 -7.859 10.017 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.611 10.204 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.812 11.217 -3.557 1.00 0.00 H new ATOM 598 N GLU A 40 -8.844 12.883 -5.179 1.00 0.00 N ATOM 599 CA GLU A 40 -8.634 14.009 -6.079 1.00 0.00 C ATOM 600 C GLU A 40 -7.230 13.994 -6.681 1.00 0.00 C ATOM 601 O GLU A 40 -6.518 15.005 -6.688 1.00 0.00 O ATOM 602 CB GLU A 40 -8.889 15.318 -5.334 1.00 0.00 C ATOM 603 CG GLU A 40 -7.960 15.548 -4.153 1.00 0.00 C ATOM 604 CD GLU A 40 -8.341 16.767 -3.347 1.00 0.00 C ATOM 605 OE1 GLU A 40 -9.221 16.650 -2.469 1.00 0.00 O ATOM 606 OE2 GLU A 40 -7.774 17.850 -3.597 1.00 0.00 O ATOM 0 H GLU A 40 -8.514 13.040 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.340 13.923 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.784 16.148 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.920 15.328 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.974 14.670 -3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.938 15.661 -4.515 1.00 0.00 H new ATOM 613 N GLY A 41 -6.843 12.846 -7.202 1.00 0.00 N ATOM 614 CA GLY A 41 -5.555 12.726 -7.853 1.00 0.00 C ATOM 615 C GLY A 41 -4.450 12.339 -6.898 1.00 0.00 C ATOM 616 O GLY A 41 -3.859 11.268 -7.023 1.00 0.00 O ATOM 0 H GLY A 41 -7.397 11.990 -7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.622 11.981 -8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.303 13.674 -8.328 1.00 0.00 H new ATOM 620 N ASN A 42 -4.168 13.204 -5.938 1.00 0.00 N ATOM 621 CA ASN A 42 -3.093 12.955 -4.990 1.00 0.00 C ATOM 622 C ASN A 42 -3.626 12.838 -3.569 1.00 0.00 C ATOM 623 O ASN A 42 -3.028 13.345 -2.622 1.00 0.00 O ATOM 624 CB ASN A 42 -2.016 14.046 -5.082 1.00 0.00 C ATOM 625 CG ASN A 42 -2.540 15.445 -4.806 1.00 0.00 C ATOM 626 OD1 ASN A 42 -3.058 16.116 -5.700 1.00 0.00 O ATOM 627 ND2 ASN A 42 -2.376 15.904 -3.578 1.00 0.00 N ATOM 0 H ASN A 42 -4.666 14.082 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.634 12.002 -5.253 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.220 13.819 -4.373 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.572 14.023 -6.077 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.683 16.847 -3.341 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.942 15.315 -2.867 1.00 0.00 H new ATOM 634 N THR A 43 -4.745 12.150 -3.426 1.00 0.00 N ATOM 635 CA THR A 43 -5.314 11.897 -2.115 1.00 0.00 C ATOM 636 C THR A 43 -5.813 10.482 -2.002 1.00 0.00 C ATOM 637 O THR A 43 -6.213 9.866 -2.989 1.00 0.00 O ATOM 638 CB THR A 43 -6.473 12.838 -1.774 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.402 12.903 -2.856 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.957 14.219 -1.438 1.00 0.00 C ATOM 0 H THR A 43 -5.277 11.757 -4.202 1.00 0.00 H new ATOM 0 HA THR A 43 -4.502 12.074 -1.409 1.00 0.00 H new ATOM 0 HB THR A 43 -6.989 12.441 -0.900 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.468 12.024 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.796 14.873 -1.199 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.288 14.159 -0.580 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.415 14.623 -2.293 1.00 0.00 H new ATOM 648 N CYS A 44 -5.797 9.978 -0.792 1.00 0.00 N ATOM 649 CA CYS A 44 -6.310 8.662 -0.520 1.00 0.00 C ATOM 650 C CYS A 44 -7.479 8.759 0.432 1.00 0.00 C ATOM 651 O CYS A 44 -7.464 9.537 1.379 1.00 0.00 O ATOM 652 CB CYS A 44 -5.207 7.776 0.035 1.00 0.00 C ATOM 653 SG CYS A 44 -3.784 7.640 -1.092 1.00 0.00 S ATOM 0 H CYS A 44 -5.430 10.466 0.025 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.664 8.207 -1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.871 8.177 0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.608 6.781 0.229 1.00 0.00 H new ATOM 658 N VAL A 45 -8.499 7.989 0.153 1.00 0.00 N ATOM 659 CA VAL A 45 -9.740 8.059 0.893 1.00 0.00 C ATOM 660 C VAL A 45 -10.303 6.668 1.071 1.00 0.00 C ATOM 661 O VAL A 45 -10.069 5.785 0.245 1.00 0.00 O ATOM 662 CB VAL A 45 -10.782 8.947 0.177 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.343 10.408 0.170 1.00 0.00 C ATOM 664 CG2 VAL A 45 -11.010 8.467 -1.251 1.00 0.00 C ATOM 0 H VAL A 45 -8.496 7.294 -0.594 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.526 8.505 1.864 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.719 8.869 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.094 11.011 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.231 10.759 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.390 10.499 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.747 9.106 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.072 8.511 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.375 7.440 -1.236 1.00 0.00 H new ATOM 674 N GLU A 46 -11.029 6.477 2.154 1.00 0.00 N ATOM 675 CA GLU A 46 -11.582 5.179 2.481 1.00 0.00 C ATOM 676 C GLU A 46 -12.576 4.712 1.436 1.00 0.00 C ATOM 677 O GLU A 46 -13.679 5.246 1.319 1.00 0.00 O ATOM 678 CB GLU A 46 -12.278 5.219 3.832 1.00 0.00 C ATOM 679 CG GLU A 46 -11.403 4.832 5.010 1.00 0.00 C ATOM 680 CD GLU A 46 -12.073 5.132 6.338 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.022 6.295 6.789 1.00 0.00 O ATOM 682 OE2 GLU A 46 -12.669 4.213 6.932 1.00 0.00 O ATOM 0 H GLU A 46 -11.251 7.211 2.827 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.748 4.478 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.662 6.226 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.139 4.551 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.169 3.769 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.457 5.370 4.951 1.00 0.00 H new ATOM 689 N ASN A 47 -12.177 3.710 0.685 1.00 0.00 N ATOM 690 CA ASN A 47 -13.082 3.031 -0.211 1.00 0.00 C ATOM 691 C ASN A 47 -13.707 1.877 0.547 1.00 0.00 C ATOM 692 O ASN A 47 -13.010 1.031 1.095 1.00 0.00 O ATOM 693 CB ASN A 47 -12.331 2.547 -1.454 1.00 0.00 C ATOM 694 CG ASN A 47 -13.195 1.788 -2.437 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.418 1.908 -2.447 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.549 1.022 -3.302 1.00 0.00 N ATOM 0 H ASN A 47 -11.224 3.346 0.678 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.866 3.706 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.893 3.408 -1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.506 1.907 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.068 0.504 -4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.532 0.950 -3.259 1.00 0.00 H new ATOM 703 N ASN A 48 -15.016 1.873 0.640 1.00 0.00 N ATOM 704 CA ASN A 48 -15.703 0.855 1.411 1.00 0.00 C ATOM 705 C ASN A 48 -16.269 -0.201 0.483 1.00 0.00 C ATOM 706 O ASN A 48 -17.063 -1.050 0.887 1.00 0.00 O ATOM 707 CB ASN A 48 -16.787 1.471 2.293 1.00 0.00 C ATOM 708 CG ASN A 48 -16.211 2.154 3.526 1.00 0.00 C ATOM 709 OD1 ASN A 48 -14.950 2.563 3.449 1.00 0.00 O flip ATOM 710 ND2 ASN A 48 -16.886 2.292 4.546 1.00 0.00 N flip ATOM 0 H ASN A 48 -15.627 2.558 0.195 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.986 0.375 2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -17.356 2.196 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.485 0.693 2.604 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.852 1.965 4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.480 2.734 5.371 1.00 0.00 H new ATOM 717 N ASN A 49 -15.844 -0.132 -0.770 1.00 0.00 N ATOM 718 CA ASN A 49 -16.103 -1.192 -1.732 1.00 0.00 C ATOM 719 C ASN A 49 -14.864 -1.422 -2.617 1.00 0.00 C ATOM 720 O ASN A 49 -14.929 -1.313 -3.839 1.00 0.00 O ATOM 721 CB ASN A 49 -17.298 -0.815 -2.594 1.00 0.00 C ATOM 722 CG ASN A 49 -17.832 -1.974 -3.425 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.619 -2.790 -2.939 1.00 0.00 O ATOM 724 ND2 ASN A 49 -17.432 -2.045 -4.686 1.00 0.00 N ATOM 0 H ASN A 49 -15.314 0.654 -1.146 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.323 -2.115 -1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.095 -0.439 -1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.014 -0.000 -3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.776 -2.792 -5.289 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.780 -1.352 -5.054 1.00 0.00 H new ATOM 731 N PRO A 50 -13.695 -1.670 -1.999 1.00 0.00 N ATOM 732 CA PRO A 50 -12.469 -1.984 -2.722 1.00 0.00 C ATOM 733 C PRO A 50 -12.613 -3.223 -3.588 1.00 0.00 C ATOM 734 O PRO A 50 -13.158 -4.247 -3.171 1.00 0.00 O ATOM 735 CB PRO A 50 -11.421 -2.211 -1.634 1.00 0.00 C ATOM 736 CG PRO A 50 -12.180 -2.332 -0.370 1.00 0.00 C ATOM 737 CD PRO A 50 -13.465 -1.601 -0.568 1.00 0.00 C ATOM 0 HA PRO A 50 -12.201 -1.180 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.841 -3.112 -1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.716 -1.381 -1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.364 -3.379 -0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.617 -1.907 0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.278 -2.066 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.393 -0.569 -0.225 1.00 0.00 H new ATOM 745 N THR A 51 -12.125 -3.100 -4.795 1.00 0.00 N ATOM 746 CA THR A 51 -12.186 -4.160 -5.774 1.00 0.00 C ATOM 747 C THR A 51 -10.778 -4.518 -6.210 1.00 0.00 C ATOM 748 O THR A 51 -9.885 -3.668 -6.180 1.00 0.00 O ATOM 749 CB THR A 51 -13.026 -3.740 -7.001 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.153 -4.838 -7.909 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.401 -2.549 -7.720 1.00 0.00 C ATOM 0 H THR A 51 -11.668 -2.252 -5.132 1.00 0.00 H new ATOM 0 HA THR A 51 -12.666 -5.026 -5.320 1.00 0.00 H new ATOM 0 HB THR A 51 -14.013 -3.445 -6.645 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.688 -4.563 -8.682 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.016 -2.278 -8.578 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.340 -1.702 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.400 -2.814 -8.060 1.00 0.00 H new ATOM 759 N CYS A 52 -10.556 -5.758 -6.606 1.00 0.00 N ATOM 760 CA CYS A 52 -9.256 -6.109 -7.118 1.00 0.00 C ATOM 761 C CYS A 52 -9.253 -5.744 -8.589 1.00 0.00 C ATOM 762 O CYS A 52 -10.127 -6.177 -9.345 1.00 0.00 O ATOM 763 CB CYS A 52 -8.992 -7.603 -6.931 1.00 0.00 C ATOM 764 SG CYS A 52 -7.231 -8.057 -7.008 1.00 0.00 S ATOM 0 H CYS A 52 -11.240 -6.515 -6.583 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.469 -5.576 -6.585 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.396 -7.915 -5.968 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.534 -8.156 -7.698 1.00 0.00 H new ATOM 769 N ASP A 53 -8.230 -4.995 -8.976 1.00 0.00 N ATOM 770 CA ASP A 53 -8.210 -4.242 -10.235 1.00 0.00 C ATOM 771 C ASP A 53 -7.371 -3.002 -10.010 1.00 0.00 C ATOM 772 O ASP A 53 -6.340 -2.798 -10.647 1.00 0.00 O ATOM 773 CB ASP A 53 -9.621 -3.783 -10.644 1.00 0.00 C ATOM 774 CG ASP A 53 -9.653 -3.050 -11.973 1.00 0.00 C ATOM 775 OD1 ASP A 53 -9.330 -1.845 -12.002 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.034 -3.668 -12.987 1.00 0.00 O ATOM 0 H ASP A 53 -7.379 -4.888 -8.424 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.811 -4.883 -11.021 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.276 -4.652 -10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.023 -3.131 -9.868 1.00 0.00 H new ATOM 781 N ILE A 54 -7.822 -2.203 -9.045 1.00 0.00 N ATOM 782 CA ILE A 54 -7.175 -0.953 -8.698 1.00 0.00 C ATOM 783 C ILE A 54 -5.874 -1.227 -8.000 1.00 0.00 C ATOM 784 O ILE A 54 -5.863 -1.437 -6.789 1.00 0.00 O ATOM 785 CB ILE A 54 -8.032 -0.111 -7.743 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.444 0.055 -8.305 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.349 1.231 -7.499 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.407 0.733 -7.350 1.00 0.00 C ATOM 0 H ILE A 54 -8.649 -2.410 -8.484 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.023 -0.408 -9.630 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.127 -0.619 -6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.392 0.635 -9.227 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.838 -0.927 -8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.956 1.830 -6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.367 1.064 -7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.235 1.759 -8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.387 0.815 -7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.490 0.143 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.037 1.729 -7.106 1.00 0.00 H new ATOM 800 N ASN A 55 -4.790 -1.235 -8.752 1.00 0.00 N ATOM 801 CA ASN A 55 -3.490 -1.539 -8.193 1.00 0.00 C ATOM 802 C ASN A 55 -3.571 -2.831 -7.393 1.00 0.00 C ATOM 803 O ASN A 55 -3.124 -2.897 -6.253 1.00 0.00 O ATOM 804 CB ASN A 55 -3.017 -0.398 -7.296 1.00 0.00 C ATOM 805 CG ASN A 55 -1.521 -0.450 -7.063 1.00 0.00 C ATOM 806 OD1 ASN A 55 -0.759 -0.857 -7.941 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.081 -0.061 -5.880 1.00 0.00 N ATOM 0 H ASN A 55 -4.786 -1.034 -9.752 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.773 -1.660 -9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.281 0.556 -7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.536 -0.449 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.083 -0.092 -5.671 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.739 0.271 -5.175 1.00 0.00 H new ATOM 814 N ASN A 56 -4.220 -3.840 -7.976 1.00 0.00 N ATOM 815 CA ASN A 56 -4.354 -5.154 -7.343 1.00 0.00 C ATOM 816 C ASN A 56 -5.160 -5.018 -6.051 1.00 0.00 C ATOM 817 O ASN A 56 -4.889 -5.699 -5.084 1.00 0.00 O ATOM 818 CB ASN A 56 -2.980 -5.780 -7.002 1.00 0.00 C ATOM 819 CG ASN A 56 -1.846 -5.274 -7.855 1.00 0.00 C ATOM 820 OD1 ASN A 56 -0.798 -4.849 -7.188 1.00 0.00 O flip ATOM 821 ND2 ASN A 56 -1.923 -5.232 -9.084 1.00 0.00 N flip ATOM 0 H ASN A 56 -4.664 -3.772 -8.892 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.861 -5.807 -8.054 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.751 -5.580 -5.955 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.048 -6.862 -7.112 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.760 -5.575 -9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.149 -4.854 -9.631 1.00 0.00 H new ATOM 828 N GLY A 57 -6.117 -4.097 -6.023 1.00 0.00 N ATOM 829 CA GLY A 57 -6.947 -3.927 -4.845 1.00 0.00 C ATOM 830 C GLY A 57 -6.373 -2.914 -3.871 1.00 0.00 C ATOM 831 O GLY A 57 -6.968 -2.632 -2.832 1.00 0.00 O ATOM 0 H GLY A 57 -6.333 -3.466 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.944 -3.609 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.059 -4.887 -4.342 1.00 0.00 H new ATOM 835 N GLY A 58 -5.227 -2.351 -4.221 1.00 0.00 N ATOM 836 CA GLY A 58 -4.538 -1.452 -3.322 1.00 0.00 C ATOM 837 C GLY A 58 -3.229 -2.049 -2.859 1.00 0.00 C ATOM 838 O GLY A 58 -2.562 -1.522 -1.977 1.00 0.00 O ATOM 0 H GLY A 58 -4.761 -2.502 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.352 -0.502 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.170 -1.239 -2.460 1.00 0.00 H new ATOM 842 N CYS A 59 -2.841 -3.119 -3.524 1.00 0.00 N ATOM 843 CA CYS A 59 -1.675 -3.907 -3.175 1.00 0.00 C ATOM 844 C CYS A 59 -0.560 -3.616 -4.149 1.00 0.00 C ATOM 845 O CYS A 59 -0.685 -2.791 -5.047 1.00 0.00 O ATOM 846 CB CYS A 59 -1.984 -5.408 -3.256 1.00 0.00 C ATOM 847 SG CYS A 59 -3.600 -5.917 -2.578 1.00 0.00 S ATOM 0 H CYS A 59 -3.339 -3.473 -4.341 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.386 -3.645 -2.157 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.935 -5.715 -4.301 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.201 -5.951 -2.727 1.00 0.00 H new ATOM 852 N ASP A 60 0.533 -4.294 -3.952 1.00 0.00 N ATOM 853 CA ASP A 60 1.639 -4.225 -4.867 1.00 0.00 C ATOM 854 C ASP A 60 1.567 -5.460 -5.719 1.00 0.00 C ATOM 855 O ASP A 60 1.058 -6.468 -5.275 1.00 0.00 O ATOM 856 CB ASP A 60 2.931 -4.222 -4.073 1.00 0.00 C ATOM 857 CG ASP A 60 4.132 -3.860 -4.918 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.235 -2.687 -5.342 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.965 -4.750 -5.172 1.00 0.00 O ATOM 0 H ASP A 60 0.685 -4.910 -3.154 1.00 0.00 H new ATOM 0 HA ASP A 60 1.603 -3.325 -5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.845 -3.514 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.085 -5.207 -3.633 1.00 0.00 H new ATOM 864 N PRO A 61 1.961 -5.369 -6.993 1.00 0.00 N ATOM 865 CA PRO A 61 1.868 -6.499 -7.917 1.00 0.00 C ATOM 866 C PRO A 61 2.625 -7.726 -7.409 1.00 0.00 C ATOM 867 O PRO A 61 2.484 -8.823 -7.951 1.00 0.00 O ATOM 868 CB PRO A 61 2.505 -5.975 -9.205 1.00 0.00 C ATOM 869 CG PRO A 61 2.476 -4.491 -9.103 1.00 0.00 C ATOM 870 CD PRO A 61 2.470 -4.152 -7.642 1.00 0.00 C ATOM 0 HA PRO A 61 0.837 -6.829 -8.046 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.527 -6.339 -9.311 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.953 -6.317 -10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.344 -4.053 -9.597 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.592 -4.088 -9.596 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.469 -3.899 -7.287 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.832 -3.293 -7.435 1.00 0.00 H new ATOM 878 N THR A 62 3.444 -7.521 -6.386 1.00 0.00 N ATOM 879 CA THR A 62 4.155 -8.602 -5.726 1.00 0.00 C ATOM 880 C THR A 62 3.336 -9.117 -4.546 1.00 0.00 C ATOM 881 O THR A 62 3.547 -10.223 -4.048 1.00 0.00 O ATOM 882 CB THR A 62 5.533 -8.114 -5.250 1.00 0.00 C ATOM 883 OG1 THR A 62 5.385 -7.160 -4.187 1.00 0.00 O ATOM 884 CG2 THR A 62 6.264 -7.454 -6.407 1.00 0.00 C ATOM 0 H THR A 62 3.633 -6.599 -5.992 1.00 0.00 H new ATOM 0 HA THR A 62 4.301 -9.418 -6.434 1.00 0.00 H new ATOM 0 HB THR A 62 6.101 -8.971 -4.887 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.183 -6.278 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.241 -7.108 -6.070 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.393 -8.175 -7.214 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.683 -6.605 -6.768 1.00 0.00 H new ATOM 892 N ALA A 63 2.394 -8.294 -4.119 1.00 0.00 N ATOM 893 CA ALA A 63 1.439 -8.659 -3.096 1.00 0.00 C ATOM 894 C ALA A 63 0.217 -9.307 -3.740 1.00 0.00 C ATOM 895 O ALA A 63 -0.485 -8.681 -4.533 1.00 0.00 O ATOM 896 CB ALA A 63 1.029 -7.428 -2.294 1.00 0.00 C ATOM 0 H ALA A 63 2.272 -7.347 -4.478 1.00 0.00 H new ATOM 0 HA ALA A 63 1.901 -9.375 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.310 -7.716 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.909 -6.992 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.575 -6.695 -2.960 1.00 0.00 H new ATOM 902 N SER A 64 -0.020 -10.563 -3.406 1.00 0.00 N ATOM 903 CA SER A 64 -1.159 -11.285 -3.937 1.00 0.00 C ATOM 904 C SER A 64 -2.446 -10.635 -3.441 1.00 0.00 C ATOM 905 O SER A 64 -2.600 -10.398 -2.241 1.00 0.00 O ATOM 906 CB SER A 64 -1.093 -12.752 -3.512 1.00 0.00 C ATOM 907 OG SER A 64 -2.036 -13.538 -4.217 1.00 0.00 O ATOM 0 H SER A 64 0.564 -11.104 -2.768 1.00 0.00 H new ATOM 0 HA SER A 64 -1.142 -11.246 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.090 -13.139 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.280 -12.831 -2.441 1.00 0.00 H new ATOM 0 HG SER A 64 -1.968 -14.471 -3.925 1.00 0.00 H new ATOM 913 N CYS A 65 -3.343 -10.326 -4.364 1.00 0.00 N ATOM 914 CA CYS A 65 -4.577 -9.628 -4.031 1.00 0.00 C ATOM 915 C CYS A 65 -5.748 -10.576 -3.880 1.00 0.00 C ATOM 916 O CYS A 65 -5.903 -11.538 -4.635 1.00 0.00 O ATOM 917 CB CYS A 65 -4.920 -8.600 -5.103 1.00 0.00 C ATOM 918 SG CYS A 65 -6.656 -8.033 -5.063 1.00 0.00 S ATOM 0 H CYS A 65 -3.240 -10.548 -5.354 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.404 -9.133 -3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.264 -7.737 -4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.712 -9.029 -6.083 1.00 0.00 H new ATOM 923 N GLN A 66 -6.559 -10.283 -2.885 1.00 0.00 N ATOM 924 CA GLN A 66 -7.815 -10.967 -2.656 1.00 0.00 C ATOM 925 C GLN A 66 -8.877 -9.931 -2.356 1.00 0.00 C ATOM 926 O GLN A 66 -8.692 -9.108 -1.464 1.00 0.00 O ATOM 927 CB GLN A 66 -7.707 -11.895 -1.453 1.00 0.00 C ATOM 928 CG GLN A 66 -6.336 -12.498 -1.283 1.00 0.00 C ATOM 929 CD GLN A 66 -6.166 -13.793 -2.046 1.00 0.00 C ATOM 930 OE1 GLN A 66 -6.805 -14.017 -3.075 1.00 0.00 O ATOM 931 NE2 GLN A 66 -5.302 -14.657 -1.549 1.00 0.00 N ATOM 0 H GLN A 66 -6.361 -9.552 -2.202 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.067 -11.551 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.966 -11.340 -0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.438 -12.697 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.585 -11.783 -1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.153 -12.679 -0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.792 -14.434 -0.694 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.144 -15.548 -2.020 1.00 0.00 H new ATOM 940 N ASN A 67 -9.965 -9.936 -3.092 1.00 0.00 N ATOM 941 CA ASN A 67 -11.059 -9.044 -2.763 1.00 0.00 C ATOM 942 C ASN A 67 -12.064 -9.741 -1.886 1.00 0.00 C ATOM 943 O ASN A 67 -12.522 -10.847 -2.174 1.00 0.00 O ATOM 944 CB ASN A 67 -11.743 -8.438 -3.987 1.00 0.00 C ATOM 945 CG ASN A 67 -12.080 -9.430 -5.087 1.00 0.00 C ATOM 946 OD1 ASN A 67 -11.406 -10.443 -5.277 1.00 0.00 O ATOM 947 ND2 ASN A 67 -13.132 -9.132 -5.827 1.00 0.00 N ATOM 0 H ASN A 67 -10.118 -10.532 -3.905 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.618 -8.210 -2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.662 -7.947 -3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.096 -7.664 -4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.412 -9.751 -6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.665 -8.283 -5.638 1.00 0.00 H new ATOM 954 N ALA A 68 -12.388 -9.069 -0.810 1.00 0.00 N ATOM 955 CA ALA A 68 -13.250 -9.616 0.217 1.00 0.00 C ATOM 956 C ALA A 68 -14.131 -8.523 0.792 1.00 0.00 C ATOM 957 O ALA A 68 -13.802 -7.340 0.705 1.00 0.00 O ATOM 958 CB ALA A 68 -12.411 -10.245 1.314 1.00 0.00 C ATOM 0 H ALA A 68 -12.062 -8.122 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.887 -10.383 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.066 -10.654 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.802 -11.045 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.762 -9.488 1.755 1.00 0.00 H new ATOM 964 N GLU A 69 -15.255 -8.911 1.364 1.00 0.00 N ATOM 965 CA GLU A 69 -16.111 -7.961 2.044 1.00 0.00 C ATOM 966 C GLU A 69 -16.075 -8.196 3.540 1.00 0.00 C ATOM 967 O GLU A 69 -16.588 -9.194 4.047 1.00 0.00 O ATOM 968 CB GLU A 69 -17.547 -8.026 1.535 1.00 0.00 C ATOM 969 CG GLU A 69 -17.697 -7.624 0.080 1.00 0.00 C ATOM 970 CD GLU A 69 -19.145 -7.442 -0.324 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.765 -6.442 0.095 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.677 -8.296 -1.061 1.00 0.00 O ATOM 0 H GLU A 69 -15.594 -9.873 1.371 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.729 -6.963 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.923 -9.041 1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.170 -7.376 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.155 -6.695 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.239 -8.384 -0.553 1.00 0.00 H new ATOM 979 N SER A 70 -15.438 -7.278 4.224 1.00 0.00 N ATOM 980 CA SER A 70 -15.334 -7.309 5.671 1.00 0.00 C ATOM 981 C SER A 70 -15.817 -5.979 6.211 1.00 0.00 C ATOM 982 O SER A 70 -15.849 -5.003 5.469 1.00 0.00 O ATOM 983 CB SER A 70 -13.881 -7.554 6.089 1.00 0.00 C ATOM 984 OG SER A 70 -13.769 -7.774 7.486 1.00 0.00 O ATOM 0 H SER A 70 -14.972 -6.480 3.793 1.00 0.00 H new ATOM 0 HA SER A 70 -15.944 -8.118 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.488 -8.417 5.552 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.271 -6.697 5.805 1.00 0.00 H new ATOM 0 HG SER A 70 -12.830 -7.929 7.719 1.00 0.00 H new ATOM 990 N THR A 71 -16.182 -5.925 7.481 1.00 0.00 N ATOM 991 CA THR A 71 -16.599 -4.671 8.086 1.00 0.00 C ATOM 992 C THR A 71 -15.455 -3.662 7.985 1.00 0.00 C ATOM 993 O THR A 71 -15.665 -2.457 7.840 1.00 0.00 O ATOM 994 CB THR A 71 -17.012 -4.880 9.559 1.00 0.00 C ATOM 995 OG1 THR A 71 -17.426 -3.642 10.152 1.00 0.00 O ATOM 996 CG2 THR A 71 -15.875 -5.493 10.364 1.00 0.00 C ATOM 0 H THR A 71 -16.198 -6.728 8.109 1.00 0.00 H new ATOM 0 HA THR A 71 -17.469 -4.288 7.552 1.00 0.00 H new ATOM 0 HB THR A 71 -17.854 -5.572 9.572 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.685 -3.796 11.084 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.193 -5.629 11.398 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.606 -6.459 9.937 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.010 -4.830 10.335 1.00 0.00 H new ATOM 1004 N GLU A 72 -14.246 -4.197 8.002 1.00 0.00 N ATOM 1005 CA GLU A 72 -13.035 -3.413 7.892 1.00 0.00 C ATOM 1006 C GLU A 72 -12.696 -3.141 6.436 1.00 0.00 C ATOM 1007 O GLU A 72 -12.428 -4.068 5.679 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.899 -4.175 8.551 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.876 -4.040 10.050 1.00 0.00 C ATOM 1010 CD GLU A 72 -11.665 -2.609 10.488 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -10.522 -2.118 10.396 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -12.647 -1.965 10.915 1.00 0.00 O ATOM 0 H GLU A 72 -14.080 -5.199 8.094 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.184 -2.454 8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.980 -5.230 8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.951 -3.819 8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.815 -4.410 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.081 -4.665 10.458 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.701 -1.873 6.051 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.352 -1.490 4.682 1.00 0.00 C ATOM 1021 C ASN A 73 -10.881 -1.756 4.407 1.00 0.00 C ATOM 1022 O ASN A 73 -10.504 -2.070 3.281 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.720 -0.022 4.401 1.00 0.00 C ATOM 1024 CG ASN A 73 -12.259 0.940 5.474 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -11.204 0.778 6.084 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -13.090 1.926 5.739 1.00 0.00 N ATOM 0 H ASN A 73 -12.941 -1.092 6.661 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.937 -2.107 4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.284 0.276 3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.802 0.058 4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.869 2.595 6.477 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.955 2.021 5.206 1.00 0.00 H new ATOM 1033 N SER A 74 -10.065 -1.677 5.448 1.00 0.00 N ATOM 1034 CA SER A 74 -8.648 -1.977 5.330 1.00 0.00 C ATOM 1035 C SER A 74 -8.429 -3.488 5.348 1.00 0.00 C ATOM 1036 O SER A 74 -7.343 -3.984 5.039 1.00 0.00 O ATOM 1037 CB SER A 74 -7.864 -1.287 6.458 1.00 0.00 C ATOM 1038 OG SER A 74 -6.486 -1.628 6.435 1.00 0.00 O ATOM 0 H SER A 74 -10.362 -1.407 6.386 1.00 0.00 H new ATOM 0 HA SER A 74 -8.278 -1.593 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.971 -0.206 6.365 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.291 -1.568 7.421 1.00 0.00 H new ATOM 0 HG SER A 74 -5.995 -0.971 5.898 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.478 -4.222 5.695 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.404 -5.669 5.771 1.00 0.00 C ATOM 1046 C LYS A 75 -10.239 -6.307 4.667 1.00 0.00 C ATOM 1047 O LYS A 75 -10.494 -7.513 4.676 1.00 0.00 O ATOM 1048 CB LYS A 75 -9.889 -6.116 7.144 1.00 0.00 C ATOM 1049 CG LYS A 75 -9.462 -7.505 7.560 1.00 0.00 C ATOM 1050 CD LYS A 75 -7.952 -7.653 7.522 1.00 0.00 C ATOM 1051 CE LYS A 75 -7.256 -6.407 8.052 1.00 0.00 C ATOM 1052 NZ LYS A 75 -5.778 -6.527 8.010 1.00 0.00 N ATOM 0 H LYS A 75 -10.392 -3.834 5.928 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.372 -5.990 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.528 -5.405 7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.978 -6.069 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.825 -7.713 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.918 -8.241 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.655 -8.517 8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.630 -7.844 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.565 -5.543 7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.574 -6.224 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.348 -5.655 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.479 -7.335 8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.469 -6.675 7.028 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.667 -5.491 3.714 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.440 -5.992 2.594 1.00 0.00 C ATOM 1068 C LYS A 76 -10.522 -6.581 1.540 1.00 0.00 C ATOM 1069 O LYS A 76 -10.718 -7.700 1.087 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.291 -4.906 1.962 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.386 -4.359 2.864 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.268 -3.390 2.095 1.00 0.00 C ATOM 1073 CE LYS A 76 -15.028 -2.415 2.984 1.00 0.00 C ATOM 1074 NZ LYS A 76 -16.092 -3.067 3.783 1.00 0.00 N ATOM 0 H LYS A 76 -10.492 -4.486 3.696 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.103 -6.765 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.643 -4.084 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.748 -5.302 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.989 -5.179 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.942 -3.854 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.650 -2.825 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.983 -3.958 1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.326 -1.923 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.473 -1.637 2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.400 -2.425 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.901 -3.289 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.723 -3.945 4.201 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.523 -5.814 1.146 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.544 -6.294 0.189 1.00 0.00 C ATOM 1090 C ILE A 77 -7.374 -6.912 0.920 1.00 0.00 C ATOM 1091 O ILE A 77 -6.710 -6.264 1.729 1.00 0.00 O ATOM 1092 CB ILE A 77 -8.036 -5.180 -0.748 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.185 -4.632 -1.592 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.923 -5.697 -1.653 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.798 -5.661 -2.519 1.00 0.00 C ATOM 0 H ILE A 77 -9.368 -4.860 1.472 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.040 -7.040 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.633 -4.376 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.959 -4.244 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.822 -3.792 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.581 -4.893 -2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.091 -6.048 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.300 -6.520 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.607 -5.202 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.037 -6.031 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.192 -6.491 -1.932 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.155 -8.176 0.650 1.00 0.00 N ATOM 1108 CA ILE A 78 -6.079 -8.912 1.271 1.00 0.00 C ATOM 1109 C ILE A 78 -4.842 -8.847 0.398 1.00 0.00 C ATOM 1110 O ILE A 78 -4.793 -9.450 -0.672 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.454 -10.390 1.519 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.715 -10.502 2.382 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.298 -11.131 2.174 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -9.002 -10.278 1.614 1.00 0.00 C ATOM 0 H ILE A 78 -7.715 -8.723 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.883 -8.450 2.238 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.662 -10.850 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.744 -11.490 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.655 -9.776 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.580 -12.170 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.425 -11.092 1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.059 -10.662 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.851 -10.373 2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.996 -9.279 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.086 -11.020 0.820 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.863 -8.098 0.851 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.616 -7.957 0.130 1.00 0.00 C ATOM 1128 C CYS A 79 -1.533 -8.775 0.811 1.00 0.00 C ATOM 1129 O CYS A 79 -1.132 -8.493 1.943 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.219 -6.490 0.053 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.530 -5.429 -0.616 1.00 0.00 S ATOM 0 H CYS A 79 -3.906 -7.572 1.724 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.744 -8.329 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.951 -6.140 1.050 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.329 -6.393 -0.569 1.00 0.00 H new ATOM 1136 N THR A 80 -1.083 -9.799 0.120 1.00 0.00 N ATOM 1137 CA THR A 80 -0.137 -10.749 0.672 1.00 0.00 C ATOM 1138 C THR A 80 1.210 -10.659 -0.031 1.00 0.00 C ATOM 1139 O THR A 80 1.330 -11.013 -1.200 1.00 0.00 O ATOM 1140 CB THR A 80 -0.682 -12.182 0.532 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.940 -12.296 1.208 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.299 -13.195 1.093 1.00 0.00 C ATOM 0 H THR A 80 -1.361 -9.998 -0.841 1.00 0.00 H new ATOM 0 HA THR A 80 0.000 -10.505 1.725 1.00 0.00 H new ATOM 0 HB THR A 80 -0.821 -12.391 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.281 -13.210 1.113 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.111 -14.199 0.981 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.243 -13.126 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.471 -12.989 2.149 1.00 0.00 H new ATOM 1150 N CYS A 81 2.225 -10.213 0.683 1.00 0.00 N ATOM 1151 CA CYS A 81 3.556 -10.131 0.111 1.00 0.00 C ATOM 1152 C CYS A 81 4.200 -11.517 0.189 1.00 0.00 C ATOM 1153 O CYS A 81 3.895 -12.297 1.093 1.00 0.00 O ATOM 1154 CB CYS A 81 4.391 -9.088 0.858 1.00 0.00 C ATOM 1155 SG CYS A 81 3.546 -7.492 1.141 1.00 0.00 S ATOM 0 H CYS A 81 2.156 -9.904 1.653 1.00 0.00 H new ATOM 0 HA CYS A 81 3.501 -9.817 -0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.687 -9.502 1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.306 -8.904 0.295 1.00 0.00 H new ATOM 1160 N LYS A 82 5.066 -11.825 -0.767 1.00 0.00 N ATOM 1161 CA LYS A 82 5.522 -13.197 -0.978 1.00 0.00 C ATOM 1162 C LYS A 82 6.631 -13.625 -0.012 1.00 0.00 C ATOM 1163 O LYS A 82 7.040 -12.872 0.866 1.00 0.00 O ATOM 1164 CB LYS A 82 6.001 -13.372 -2.416 1.00 0.00 C ATOM 1165 CG LYS A 82 4.957 -13.021 -3.450 1.00 0.00 C ATOM 1166 CD LYS A 82 3.658 -13.762 -3.215 1.00 0.00 C ATOM 1167 CE LYS A 82 2.622 -13.354 -4.238 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.898 -13.945 -5.574 1.00 0.00 N ATOM 0 H LYS A 82 5.469 -11.144 -1.411 1.00 0.00 H new ATOM 0 HA LYS A 82 4.665 -13.841 -0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.881 -12.749 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.312 -14.406 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.771 -11.947 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.336 -13.259 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.830 -14.837 -3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.289 -13.551 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.635 -13.668 -3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.601 -12.267 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.129 -13.697 -6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.798 -13.573 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.960 -14.980 -5.490 1.00 0.00 H new ATOM 1182 N GLU A 83 7.108 -14.853 -0.204 1.00 0.00 N ATOM 1183 CA GLU A 83 8.182 -15.436 0.610 1.00 0.00 C ATOM 1184 C GLU A 83 9.395 -14.505 0.810 1.00 0.00 C ATOM 1185 O GLU A 83 9.843 -14.327 1.943 1.00 0.00 O ATOM 1186 CB GLU A 83 8.657 -16.747 -0.015 1.00 0.00 C ATOM 1187 CG GLU A 83 7.566 -17.785 -0.167 1.00 0.00 C ATOM 1188 CD GLU A 83 8.090 -19.092 -0.715 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.165 -19.232 -1.953 1.00 0.00 O ATOM 1190 OE2 GLU A 83 8.438 -19.982 0.093 1.00 0.00 O ATOM 0 H GLU A 83 6.761 -15.478 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 83 7.749 -15.605 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.084 -16.537 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.457 -17.162 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.098 -17.961 0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.791 -17.400 -0.830 1.00 0.00 H new ATOM 1197 N PRO A 84 9.949 -13.881 -0.262 1.00 0.00 N ATOM 1198 CA PRO A 84 11.183 -13.109 -0.163 1.00 0.00 C ATOM 1199 C PRO A 84 10.923 -11.699 0.322 1.00 0.00 C ATOM 1200 O PRO A 84 11.745 -10.800 0.150 1.00 0.00 O ATOM 1201 CB PRO A 84 11.686 -13.091 -1.596 1.00 0.00 C ATOM 1202 CG PRO A 84 10.449 -13.086 -2.422 1.00 0.00 C ATOM 1203 CD PRO A 84 9.405 -13.828 -1.630 1.00 0.00 C ATOM 0 HA PRO A 84 11.890 -13.536 0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.298 -12.210 -1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.304 -13.963 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.126 -12.066 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.622 -13.569 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.446 -13.311 -1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.239 -14.828 -2.030 1.00 0.00 H new ATOM 1211 N THR A 85 9.748 -11.511 0.887 1.00 0.00 N ATOM 1212 CA THR A 85 9.352 -10.228 1.410 1.00 0.00 C ATOM 1213 C THR A 85 8.955 -10.369 2.888 1.00 0.00 C ATOM 1214 O THR A 85 7.784 -10.528 3.229 1.00 0.00 O ATOM 1215 CB THR A 85 8.194 -9.635 0.563 1.00 0.00 C ATOM 1216 OG1 THR A 85 6.969 -10.306 0.822 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.490 -9.769 -0.923 1.00 0.00 C ATOM 0 H THR A 85 9.046 -12.243 0.994 1.00 0.00 H new ATOM 0 HA THR A 85 10.192 -9.537 1.349 1.00 0.00 H new ATOM 0 HB THR A 85 8.107 -8.585 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.153 -11.229 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.665 -9.347 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.409 -9.234 -1.161 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.608 -10.822 -1.177 1.00 0.00 H new ATOM 1225 N PRO A 86 9.948 -10.342 3.796 1.00 0.00 N ATOM 1226 CA PRO A 86 9.721 -10.474 5.242 1.00 0.00 C ATOM 1227 C PRO A 86 9.080 -9.226 5.816 1.00 0.00 C ATOM 1228 O PRO A 86 8.690 -9.176 6.981 1.00 0.00 O ATOM 1229 CB PRO A 86 11.136 -10.631 5.815 1.00 0.00 C ATOM 1230 CG PRO A 86 12.009 -10.907 4.650 1.00 0.00 C ATOM 1231 CD PRO A 86 11.373 -10.190 3.503 1.00 0.00 C ATOM 0 HA PRO A 86 9.053 -11.302 5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.451 -9.726 6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.178 -11.446 6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.023 -10.548 4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.079 -11.977 4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.671 -9.142 3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.642 -10.635 2.545 1.00 0.00 H new ATOM 1239 N ASN A 87 8.994 -8.215 4.976 1.00 0.00 N ATOM 1240 CA ASN A 87 8.484 -6.924 5.364 1.00 0.00 C ATOM 1241 C ASN A 87 7.481 -6.465 4.325 1.00 0.00 C ATOM 1242 O ASN A 87 7.279 -7.138 3.315 1.00 0.00 O ATOM 1243 CB ASN A 87 9.626 -5.913 5.461 1.00 0.00 C ATOM 1244 CG ASN A 87 10.818 -6.419 6.257 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.829 -6.891 5.538 1.00 0.00 O flip ATOM 1246 ND2 ASN A 87 10.846 -6.355 7.485 1.00 0.00 N flip ATOM 0 H ASN A 87 9.279 -8.271 3.998 1.00 0.00 H new ATOM 0 HA ASN A 87 8.003 -6.999 6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.955 -5.651 4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.253 -4.999 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.044 -5.984 7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.671 -6.673 7.994 1.00 0.00 H new ATOM 1253 N ALA A 88 6.878 -5.315 4.548 1.00 0.00 N ATOM 1254 CA ALA A 88 5.921 -4.772 3.606 1.00 0.00 C ATOM 1255 C ALA A 88 5.951 -3.259 3.640 1.00 0.00 C ATOM 1256 O ALA A 88 6.170 -2.661 4.691 1.00 0.00 O ATOM 1257 CB ALA A 88 4.524 -5.279 3.923 1.00 0.00 C ATOM 0 H ALA A 88 7.034 -4.738 5.374 1.00 0.00 H new ATOM 0 HA ALA A 88 6.193 -5.103 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.815 -4.863 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.508 -6.367 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.245 -4.971 4.931 1.00 0.00 H new ATOM 1263 N TYR A 89 5.750 -2.645 2.486 1.00 0.00 N ATOM 1264 CA TYR A 89 5.610 -1.205 2.417 1.00 0.00 C ATOM 1265 C TYR A 89 4.226 -0.872 2.981 1.00 0.00 C ATOM 1266 O TYR A 89 3.202 -1.100 2.324 1.00 0.00 O ATOM 1267 CB TYR A 89 5.747 -0.681 0.967 1.00 0.00 C ATOM 1268 CG TYR A 89 6.983 -1.106 0.176 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.925 -2.006 0.658 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.197 -0.565 -1.088 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.033 -2.341 -0.094 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.294 -0.899 -1.844 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.211 -1.782 -1.347 1.00 0.00 C ATOM 1274 OH TYR A 89 10.315 -2.094 -2.098 1.00 0.00 O ATOM 0 H TYR A 89 5.681 -3.122 1.587 1.00 0.00 H new ATOM 0 HA TYR A 89 6.401 -0.723 2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.866 -0.999 0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.727 0.408 1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.789 -2.449 1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.480 0.138 -1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.760 -3.038 0.295 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.431 -0.467 -2.824 1.00 0.00 H new ATOM 0 HH TYR A 89 10.278 -1.612 -2.951 1.00 0.00 H new ATOM 1284 N TYR A 90 4.212 -0.373 4.211 1.00 0.00 N ATOM 1285 CA TYR A 90 2.989 -0.197 4.991 1.00 0.00 C ATOM 1286 C TYR A 90 2.303 -1.535 5.269 1.00 0.00 C ATOM 1287 O TYR A 90 2.882 -2.406 5.918 1.00 0.00 O ATOM 1288 CB TYR A 90 2.026 0.809 4.348 1.00 0.00 C ATOM 1289 CG TYR A 90 1.604 1.884 5.319 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.805 1.583 6.414 1.00 0.00 C ATOM 1291 CD2 TYR A 90 2.030 3.193 5.164 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.434 2.557 7.319 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.669 4.172 6.067 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.871 3.852 7.141 1.00 0.00 C ATOM 1295 OH TYR A 90 0.517 4.828 8.045 1.00 0.00 O ATOM 0 H TYR A 90 5.056 -0.076 4.701 1.00 0.00 H new ATOM 0 HA TYR A 90 3.287 0.226 5.951 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.505 1.269 3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.144 0.284 3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.467 0.568 6.560 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.655 3.452 4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.194 2.306 8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.012 5.187 5.931 1.00 0.00 H new ATOM 0 HH TYR A 90 0.909 5.684 7.773 1.00 0.00 H new ATOM 1305 N GLU A 91 1.085 -1.705 4.783 1.00 0.00 N ATOM 1306 CA GLU A 91 0.287 -2.884 5.140 1.00 0.00 C ATOM 1307 C GLU A 91 0.402 -4.000 4.103 1.00 0.00 C ATOM 1308 O GLU A 91 -0.195 -5.062 4.259 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.188 -2.513 5.278 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.442 -1.124 5.834 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.880 -0.950 6.276 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.764 -0.843 5.401 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.129 -0.938 7.499 1.00 0.00 O ATOM 0 H GLU A 91 0.624 -1.054 4.147 1.00 0.00 H new ATOM 0 HA GLU A 91 0.683 -3.244 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.661 -2.590 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.674 -3.243 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.778 -0.944 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.202 -0.379 5.075 1.00 0.00 H new ATOM 1320 N GLY A 92 1.173 -3.766 3.058 1.00 0.00 N ATOM 1321 CA GLY A 92 1.157 -4.664 1.917 1.00 0.00 C ATOM 1322 C GLY A 92 0.688 -3.930 0.690 1.00 0.00 C ATOM 1323 O GLY A 92 0.530 -4.511 -0.385 1.00 0.00 O ATOM 0 H GLY A 92 1.810 -2.974 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.155 -5.069 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.499 -5.509 2.119 1.00 0.00 H new ATOM 1327 N VAL A 93 0.444 -2.635 0.882 1.00 0.00 N ATOM 1328 CA VAL A 93 0.110 -1.732 -0.200 1.00 0.00 C ATOM 1329 C VAL A 93 1.213 -1.776 -1.253 1.00 0.00 C ATOM 1330 O VAL A 93 0.983 -1.568 -2.443 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.052 -0.288 0.340 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.600 0.624 -0.729 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -0.938 -0.251 1.580 1.00 0.00 C ATOM 0 H VAL A 93 0.474 -2.188 1.798 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.833 -2.042 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 93 0.937 0.068 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.706 1.632 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.083 0.641 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.574 0.259 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.029 0.777 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.926 -0.639 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.493 -0.864 2.364 1.00 0.00 H new ATOM 1343 N PHE A 94 2.421 -2.018 -0.769 1.00 0.00 N ATOM 1344 CA PHE A 94 3.562 -2.335 -1.600 1.00 0.00 C ATOM 1345 C PHE A 94 4.496 -3.261 -0.812 1.00 0.00 C ATOM 1346 O PHE A 94 4.365 -3.357 0.403 1.00 0.00 O ATOM 1347 CB PHE A 94 4.333 -1.092 -2.142 1.00 0.00 C ATOM 1348 CG PHE A 94 4.082 0.307 -1.545 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.167 0.571 -0.528 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.806 1.382 -2.051 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.984 1.853 -0.041 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.626 2.664 -1.566 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.714 2.898 -0.561 1.00 0.00 C ATOM 0 H PHE A 94 2.635 -1.998 0.228 1.00 0.00 H new ATOM 0 HA PHE A 94 3.183 -2.832 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.397 -1.301 -2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.128 -1.027 -3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.589 -0.241 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.524 1.211 -2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.268 2.034 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.200 3.482 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.572 3.899 -0.182 1.00 0.00 H new ATOM 1363 N CYS A 95 5.391 -3.985 -1.486 1.00 0.00 N ATOM 1364 CA CYS A 95 6.362 -4.843 -0.785 1.00 0.00 C ATOM 1365 C CYS A 95 7.670 -4.940 -1.585 1.00 0.00 C ATOM 1366 O CYS A 95 7.723 -4.532 -2.744 1.00 0.00 O ATOM 1367 CB CYS A 95 5.802 -6.259 -0.541 1.00 0.00 C ATOM 1368 SG CYS A 95 3.977 -6.380 -0.508 1.00 0.00 S ATOM 0 H CYS A 95 5.468 -3.999 -2.503 1.00 0.00 H new ATOM 0 HA CYS A 95 6.559 -4.382 0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.180 -6.921 -1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.192 -6.628 0.408 1.00 0.00 H new ATOM 1373 N SER A 96 8.731 -5.463 -0.956 1.00 0.00 N ATOM 1374 CA SER A 96 10.027 -5.608 -1.623 1.00 0.00 C ATOM 1375 C SER A 96 10.482 -7.052 -1.560 1.00 0.00 C ATOM 1376 O SER A 96 10.514 -7.651 -0.487 1.00 0.00 O ATOM 1377 CB SER A 96 11.089 -4.730 -0.961 1.00 0.00 C ATOM 1378 OG SER A 96 12.111 -4.372 -1.879 1.00 0.00 O ATOM 0 H SER A 96 8.716 -5.791 0.010 1.00 0.00 H new ATOM 0 HA SER A 96 9.904 -5.296 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.622 -3.828 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.527 -5.261 -0.116 1.00 0.00 H new ATOM 0 HG SER A 96 11.906 -3.498 -2.272 1.00 0.00 H new ATOM 1384 N SER A 97 10.835 -7.603 -2.701 1.00 0.00 N ATOM 1385 CA SER A 97 11.244 -8.989 -2.771 1.00 0.00 C ATOM 1386 C SER A 97 12.763 -9.122 -2.852 1.00 0.00 C ATOM 1387 O SER A 97 13.473 -8.124 -3.013 1.00 0.00 O ATOM 1388 CB SER A 97 10.576 -9.652 -3.974 1.00 0.00 C ATOM 1389 OG SER A 97 10.668 -8.828 -5.124 1.00 0.00 O ATOM 0 H SER A 97 10.847 -7.111 -3.595 1.00 0.00 H new ATOM 0 HA SER A 97 10.927 -9.493 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.049 -10.614 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.529 -9.852 -3.748 1.00 0.00 H new ATOM 0 HG SER A 97 10.235 -9.274 -5.882 1.00 0.00 H new ATOM 1395 N SER A 98 13.237 -10.362 -2.727 1.00 0.00 N ATOM 1396 CA SER A 98 14.657 -10.686 -2.815 1.00 0.00 C ATOM 1397 C SER A 98 15.438 -10.087 -1.643 1.00 0.00 C ATOM 1398 O SER A 98 16.396 -9.333 -1.832 1.00 0.00 O ATOM 1399 CB SER A 98 15.227 -10.220 -4.158 1.00 0.00 C ATOM 1400 OG SER A 98 14.490 -10.779 -5.239 1.00 0.00 O ATOM 0 H SER A 98 12.641 -11.173 -2.561 1.00 0.00 H new ATOM 0 HA SER A 98 14.764 -11.769 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.195 -9.132 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.274 -10.513 -4.235 1.00 0.00 H new ATOM 0 HG SER A 98 14.868 -10.468 -6.088 1.00 0.00 H new ATOM 1406 N SER A 99 15.011 -10.426 -0.432 1.00 0.00 N ATOM 1407 CA SER A 99 15.705 -10.007 0.774 1.00 0.00 C ATOM 1408 C SER A 99 16.695 -11.088 1.204 1.00 0.00 C ATOM 1409 O SER A 99 16.275 -12.045 1.894 1.00 0.00 O ATOM 1410 CB SER A 99 14.682 -9.734 1.879 1.00 0.00 C ATOM 1411 OG SER A 99 13.848 -10.860 2.070 1.00 0.00 O ATOM 1412 OXT SER A 99 17.877 -11.003 0.820 1.00 0.00 O ATOM 0 H SER A 99 14.181 -10.994 -0.262 1.00 0.00 H new ATOM 0 HA SER A 99 16.263 -9.091 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.197 -9.494 2.809 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.077 -8.866 1.617 1.00 0.00 H new ATOM 0 HG SER A 99 14.400 -11.665 2.155 1.00 0.00 H new