USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=28 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 89 TYR OH : rot -84:sc= -0.0388 USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 66 GLN :FLIP amide:sc= -0.227 F(o=-2.2!,f=-0.23) USER MOD Set 3.1: A 48 ASN : amide:sc= -0.178 X(o=-3,f=-2.7) USER MOD Set 3.2: A 73 ASN : amide:sc= -2.83! C(o=-3!,f=-4.1!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= -7.81! C(o=-7.8!,f=-20!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= -0.0248 (180deg=-0.158) USER MOD Single : A 17 ASN :FLIP amide:sc= -4.23! C(o=-5.4!,f=-4.2!) USER MOD Single : A 27 THR OG1 : rot -13:sc= 0.0382 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 137:sc= -0.226 (180deg=-1.01) USER MOD Single : A 42 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.0012) USER MOD Single : A 43 THR OG1 : rot 131:sc= -1.99! USER MOD Single : A 47 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.2!) USER MOD Single : A 49 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.84) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.34) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.43 F(o=-4.9,f=-1.4) USER MOD Single : A 62 THR OG1 : rot -96:sc= 1.25 USER MOD Single : A 67 ASN : amide:sc= 0.588 K(o=0.59,f=-5.5!) USER MOD Single : A 70 SER OG : rot 170:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 75 LYS NZ :NH3+ 138:sc= 1.18 (180deg=0.939) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= 1.24 (180deg=1.18) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00994) USER MOD Single : A 85 THR OG1 : rot 45:sc= -0.352 USER MOD Single : A 87 ASN :FLIP amide:sc= -1.1 F(o=-3.2!,f=-1.1) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 99 SER OG : rot 57:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.106 -6.146 2.166 1.00 0.00 N ATOM 27 CA ASP A 3 13.907 -6.455 2.928 1.00 0.00 C ATOM 28 C ASP A 3 12.988 -5.244 3.010 1.00 0.00 C ATOM 29 O ASP A 3 13.377 -4.184 3.493 1.00 0.00 O ATOM 30 CB ASP A 3 14.296 -6.939 4.326 1.00 0.00 C ATOM 31 CG ASP A 3 15.559 -6.284 4.845 1.00 0.00 C ATOM 32 OD1 ASP A 3 15.498 -5.117 5.274 1.00 0.00 O ATOM 33 OD2 ASP A 3 16.617 -6.942 4.819 1.00 0.00 O ATOM 0 HA ASP A 3 13.361 -7.249 2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.477 -6.736 5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.435 -8.020 4.305 1.00 0.00 H new ATOM 38 N PRO A 4 11.758 -5.388 2.497 1.00 0.00 N ATOM 39 CA PRO A 4 10.777 -4.293 2.401 1.00 0.00 C ATOM 40 C PRO A 4 10.513 -3.466 3.685 1.00 0.00 C ATOM 41 O PRO A 4 9.765 -2.502 3.630 1.00 0.00 O ATOM 42 CB PRO A 4 9.485 -4.987 1.964 1.00 0.00 C ATOM 43 CG PRO A 4 9.764 -6.453 1.950 1.00 0.00 C ATOM 44 CD PRO A 4 11.241 -6.627 1.882 1.00 0.00 C ATOM 0 HA PRO A 4 11.171 -3.544 1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.671 -4.755 2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.177 -4.643 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.363 -6.928 2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.282 -6.927 1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.567 -7.513 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.586 -6.740 0.854 1.00 0.00 H new ATOM 52 N LYS A 5 11.094 -3.826 4.828 1.00 0.00 N ATOM 53 CA LYS A 5 10.870 -3.065 6.077 1.00 0.00 C ATOM 54 C LYS A 5 11.680 -1.770 6.169 1.00 0.00 C ATOM 55 O LYS A 5 11.780 -1.182 7.243 1.00 0.00 O ATOM 56 CB LYS A 5 11.153 -3.917 7.316 1.00 0.00 C ATOM 57 CG LYS A 5 12.383 -4.807 7.197 1.00 0.00 C ATOM 58 CD LYS A 5 13.675 -4.022 7.365 1.00 0.00 C ATOM 59 CE LYS A 5 13.894 -3.601 8.807 1.00 0.00 C ATOM 60 NZ LYS A 5 15.185 -2.883 8.983 1.00 0.00 N ATOM 0 H LYS A 5 11.717 -4.628 4.926 1.00 0.00 H new ATOM 0 HA LYS A 5 9.815 -2.791 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.278 -3.258 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.284 -4.543 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.336 -5.593 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.382 -5.298 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.516 -4.630 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.649 -3.138 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.074 -2.958 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.877 -4.482 9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.298 -2.612 9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.969 -3.505 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.191 -2.029 8.389 1.00 0.00 H new ATOM 74 N HIS A 6 12.269 -1.324 5.071 1.00 0.00 N ATOM 75 CA HIS A 6 13.175 -0.172 5.117 1.00 0.00 C ATOM 76 C HIS A 6 12.436 1.174 5.150 1.00 0.00 C ATOM 77 O HIS A 6 12.994 2.196 4.755 1.00 0.00 O ATOM 78 CB HIS A 6 14.183 -0.211 3.964 1.00 0.00 C ATOM 79 CG HIS A 6 13.590 -0.556 2.645 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.177 -1.824 2.310 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.320 0.212 1.582 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.671 -1.808 1.099 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.748 -0.592 0.632 1.00 0.00 N ATOM 0 H HIS A 6 12.143 -1.732 4.145 1.00 0.00 H new ATOM 0 HA HIS A 6 13.719 -0.253 6.058 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.668 0.762 3.888 1.00 0.00 H new ATOM 0 HB3 HIS A 6 14.961 -0.937 4.201 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.252 -2.647 2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.517 1.270 1.491 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.260 -2.659 0.576 1.00 0.00 H new ATOM 92 N VAL A 7 11.184 1.138 5.627 1.00 0.00 N ATOM 93 CA VAL A 7 10.380 2.323 5.978 1.00 0.00 C ATOM 94 C VAL A 7 10.422 3.452 4.928 1.00 0.00 C ATOM 95 O VAL A 7 10.629 3.199 3.744 1.00 0.00 O ATOM 96 CB VAL A 7 10.760 2.841 7.390 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.613 1.703 8.401 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.169 3.431 7.435 1.00 0.00 C ATOM 0 H VAL A 7 10.687 0.261 5.785 1.00 0.00 H new ATOM 0 HA VAL A 7 9.342 1.990 5.989 1.00 0.00 H new ATOM 0 HB VAL A 7 10.079 3.652 7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.879 2.063 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.581 1.352 8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.274 0.882 8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.386 3.779 8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.893 2.667 7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.235 4.269 6.741 1.00 0.00 H new ATOM 108 N CYS A 8 10.149 4.687 5.350 1.00 0.00 N ATOM 109 CA CYS A 8 9.986 5.792 4.404 1.00 0.00 C ATOM 110 C CYS A 8 10.193 7.154 5.015 1.00 0.00 C ATOM 111 O CYS A 8 10.001 7.365 6.213 1.00 0.00 O ATOM 112 CB CYS A 8 8.566 5.775 3.858 1.00 0.00 C ATOM 113 SG CYS A 8 8.158 7.158 2.730 1.00 0.00 S ATOM 0 H CYS A 8 10.037 4.946 6.330 1.00 0.00 H new ATOM 0 HA CYS A 8 10.745 5.639 3.636 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.407 4.835 3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.870 5.791 4.696 1.00 0.00 H new ATOM 118 N VAL A 9 10.581 8.062 4.139 1.00 0.00 N ATOM 119 CA VAL A 9 10.425 9.478 4.334 1.00 0.00 C ATOM 120 C VAL A 9 10.244 10.088 2.954 1.00 0.00 C ATOM 121 O VAL A 9 11.199 10.264 2.202 1.00 0.00 O ATOM 122 CB VAL A 9 11.672 10.073 4.998 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.635 9.861 6.497 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.905 9.416 4.409 1.00 0.00 C ATOM 0 H VAL A 9 11.024 7.822 3.252 1.00 0.00 H new ATOM 0 HA VAL A 9 9.573 9.685 4.982 1.00 0.00 H new ATOM 0 HB VAL A 9 11.700 11.146 4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.530 10.291 6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.751 10.346 6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.598 8.793 6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.797 9.833 4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.868 8.342 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.937 9.600 3.335 1.00 0.00 H new ATOM 134 N ASP A 10 9.011 10.382 2.623 1.00 0.00 N ATOM 135 CA ASP A 10 8.675 10.892 1.311 1.00 0.00 C ATOM 136 C ASP A 10 7.835 12.149 1.432 1.00 0.00 C ATOM 137 O ASP A 10 7.365 12.440 2.522 1.00 0.00 O ATOM 138 CB ASP A 10 7.939 9.793 0.534 1.00 0.00 C ATOM 139 CG ASP A 10 7.244 10.270 -0.732 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.911 10.859 -1.610 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.019 10.066 -0.851 1.00 0.00 O ATOM 0 H ASP A 10 8.213 10.276 3.250 1.00 0.00 H new ATOM 0 HA ASP A 10 9.581 11.163 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.653 9.013 0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.198 9.337 1.190 1.00 0.00 H new ATOM 146 N THR A 11 7.716 12.879 0.317 1.00 0.00 N ATOM 147 CA THR A 11 6.666 13.871 0.052 1.00 0.00 C ATOM 148 C THR A 11 6.201 14.750 1.225 1.00 0.00 C ATOM 149 O THR A 11 5.898 14.319 2.333 1.00 0.00 O ATOM 150 CB THR A 11 5.484 13.126 -0.576 1.00 0.00 C ATOM 151 OG1 THR A 11 5.768 12.827 -1.950 1.00 0.00 O ATOM 152 CG2 THR A 11 4.186 13.895 -0.460 1.00 0.00 C ATOM 0 H THR A 11 8.375 12.792 -0.457 1.00 0.00 H new ATOM 0 HA THR A 11 7.114 14.608 -0.614 1.00 0.00 H new ATOM 0 HB THR A 11 5.352 12.198 -0.020 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.009 12.349 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.381 13.322 -0.921 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.955 14.063 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.285 14.855 -0.967 1.00 0.00 H new ATOM 160 N ARG A 12 6.039 16.016 0.882 1.00 0.00 N ATOM 161 CA ARG A 12 5.745 17.065 1.829 1.00 0.00 C ATOM 162 C ARG A 12 4.372 16.872 2.435 1.00 0.00 C ATOM 163 O ARG A 12 4.182 16.991 3.644 1.00 0.00 O ATOM 164 CB ARG A 12 5.802 18.412 1.139 1.00 0.00 C ATOM 165 CG ARG A 12 7.156 18.756 0.563 1.00 0.00 C ATOM 166 CD ARG A 12 7.388 18.131 -0.800 1.00 0.00 C ATOM 167 NE ARG A 12 8.609 18.624 -1.427 1.00 0.00 N ATOM 168 CZ ARG A 12 9.344 17.912 -2.278 1.00 0.00 C ATOM 169 NH1 ARG A 12 8.992 16.664 -2.579 1.00 0.00 N ATOM 170 NH2 ARG A 12 10.434 18.439 -2.816 1.00 0.00 N ATOM 0 H ARG A 12 6.110 16.344 -0.081 1.00 0.00 H new ATOM 0 HA ARG A 12 6.490 17.026 2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.064 18.429 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.516 19.185 1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.247 19.839 0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.934 18.421 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.446 17.047 -0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.537 18.345 -1.446 1.00 0.00 H new ATOM 0 HE ARG A 12 8.918 19.569 -1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.159 16.253 -2.157 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.555 16.118 -3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.711 19.391 -2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.996 17.892 -3.468 1.00 0.00 H new ATOM 184 N ASP A 13 3.422 16.590 1.571 1.00 0.00 N ATOM 185 CA ASP A 13 2.049 16.356 1.986 1.00 0.00 C ATOM 186 C ASP A 13 1.535 15.046 1.413 1.00 0.00 C ATOM 187 O ASP A 13 1.008 14.997 0.299 1.00 0.00 O ATOM 188 CB ASP A 13 1.157 17.521 1.549 1.00 0.00 C ATOM 189 CG ASP A 13 -0.294 17.339 1.958 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.591 17.452 3.168 1.00 0.00 O ATOM 191 OD2 ASP A 13 -1.146 17.116 1.070 1.00 0.00 O ATOM 0 H ASP A 13 3.574 16.516 0.565 1.00 0.00 H new ATOM 0 HA ASP A 13 2.022 16.287 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.538 18.446 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.213 17.629 0.466 1.00 0.00 H new ATOM 196 N ILE A 14 1.733 13.975 2.163 1.00 0.00 N ATOM 197 CA ILE A 14 1.205 12.675 1.795 1.00 0.00 C ATOM 198 C ILE A 14 -0.227 12.581 2.270 1.00 0.00 C ATOM 199 O ILE A 14 -0.544 12.999 3.385 1.00 0.00 O ATOM 200 CB ILE A 14 2.042 11.526 2.399 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.425 11.519 1.777 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.379 10.176 2.170 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.501 11.095 2.726 1.00 0.00 C ATOM 0 H ILE A 14 2.260 13.983 3.036 1.00 0.00 H new ATOM 0 HA ILE A 14 1.252 12.573 0.711 1.00 0.00 H new ATOM 0 HB ILE A 14 2.116 11.693 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.425 10.850 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.653 12.518 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.994 9.390 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.395 10.170 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.272 10.000 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.464 11.113 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.528 11.778 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.297 10.085 3.080 1.00 0.00 H new ATOM 215 N PRO A 15 -1.108 12.050 1.418 1.00 0.00 N ATOM 216 CA PRO A 15 -2.538 11.963 1.701 1.00 0.00 C ATOM 217 C PRO A 15 -2.836 11.266 3.028 1.00 0.00 C ATOM 218 O PRO A 15 -2.096 10.391 3.470 1.00 0.00 O ATOM 219 CB PRO A 15 -3.051 11.146 0.529 1.00 0.00 C ATOM 220 CG PRO A 15 -2.111 11.461 -0.569 1.00 0.00 C ATOM 221 CD PRO A 15 -0.783 11.476 0.095 1.00 0.00 C ATOM 0 HA PRO A 15 -3.006 12.942 1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.055 10.080 0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.074 11.420 0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.154 10.712 -1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.340 12.423 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.357 10.476 0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.062 12.086 -0.449 1.00 0.00 H new ATOM 229 N LYS A 16 -3.935 11.679 3.648 1.00 0.00 N ATOM 230 CA LYS A 16 -4.294 11.257 4.990 1.00 0.00 C ATOM 231 C LYS A 16 -4.560 9.769 5.091 1.00 0.00 C ATOM 232 O LYS A 16 -4.221 9.133 6.086 1.00 0.00 O ATOM 233 CB LYS A 16 -5.531 12.018 5.412 1.00 0.00 C ATOM 234 CG LYS A 16 -5.921 11.794 6.852 1.00 0.00 C ATOM 235 CD LYS A 16 -7.316 12.307 7.111 1.00 0.00 C ATOM 236 CE LYS A 16 -7.720 12.130 8.568 1.00 0.00 C ATOM 237 NZ LYS A 16 -7.678 10.704 8.992 1.00 0.00 N ATOM 0 H LYS A 16 -4.606 12.322 3.227 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.449 11.470 5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.363 13.083 5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.362 11.726 4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.869 10.731 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.214 12.300 7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.371 13.362 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.023 11.779 6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.054 12.716 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.727 12.522 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.134 10.605 9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.182 10.120 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.689 10.390 9.056 1.00 0.00 H new ATOM 251 N ASN A 17 -5.191 9.221 4.071 1.00 0.00 N ATOM 252 CA ASN A 17 -5.512 7.806 4.050 1.00 0.00 C ATOM 253 C ASN A 17 -4.455 7.115 3.230 1.00 0.00 C ATOM 254 O ASN A 17 -4.692 6.099 2.577 1.00 0.00 O ATOM 255 CB ASN A 17 -6.906 7.560 3.455 1.00 0.00 C ATOM 256 CG ASN A 17 -8.033 8.183 4.258 1.00 0.00 C ATOM 257 OD1 ASN A 17 -7.751 9.283 4.928 1.00 0.00 O flip ATOM 258 ND2 ASN A 17 -9.155 7.681 4.259 1.00 0.00 N flip ATOM 0 H ASN A 17 -5.493 9.735 3.243 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.529 7.412 5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.933 7.957 2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.075 6.486 3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.333 6.829 3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.908 8.117 4.791 1.00 0.00 H new ATOM 265 N ALA A 18 -3.279 7.708 3.256 1.00 0.00 N ATOM 266 CA ALA A 18 -2.171 7.247 2.468 1.00 0.00 C ATOM 267 C ALA A 18 -0.965 7.047 3.340 1.00 0.00 C ATOM 268 O ALA A 18 -0.838 7.634 4.416 1.00 0.00 O ATOM 269 CB ALA A 18 -1.835 8.238 1.367 1.00 0.00 C ATOM 0 H ALA A 18 -3.071 8.526 3.829 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.456 6.299 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.992 7.864 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.699 8.364 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.572 9.199 1.810 1.00 0.00 H new ATOM 275 N GLY A 19 -0.094 6.205 2.868 1.00 0.00 N ATOM 276 CA GLY A 19 1.162 6.000 3.519 1.00 0.00 C ATOM 277 C GLY A 19 2.275 6.066 2.524 1.00 0.00 C ATOM 278 O GLY A 19 2.080 5.736 1.352 1.00 0.00 O ATOM 0 H GLY A 19 -0.234 5.645 2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.308 6.757 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.167 5.031 4.018 1.00 0.00 H new ATOM 282 N CYS A 20 3.433 6.482 2.963 1.00 0.00 N ATOM 283 CA CYS A 20 4.543 6.621 2.066 1.00 0.00 C ATOM 284 C CYS A 20 5.509 5.521 2.335 1.00 0.00 C ATOM 285 O CYS A 20 5.598 5.009 3.456 1.00 0.00 O ATOM 286 CB CYS A 20 5.242 7.966 2.232 1.00 0.00 C ATOM 287 SG CYS A 20 6.501 8.012 3.561 1.00 0.00 S ATOM 0 H CYS A 20 3.629 6.729 3.933 1.00 0.00 H new ATOM 0 HA CYS A 20 4.170 6.569 1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.719 8.232 1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.490 8.729 2.435 1.00 0.00 H new ATOM 292 N PHE A 21 6.191 5.114 1.311 1.00 0.00 N ATOM 293 CA PHE A 21 7.244 4.166 1.488 1.00 0.00 C ATOM 294 C PHE A 21 8.443 4.502 0.626 1.00 0.00 C ATOM 295 O PHE A 21 8.317 4.940 -0.516 1.00 0.00 O ATOM 296 CB PHE A 21 6.778 2.752 1.255 1.00 0.00 C ATOM 297 CG PHE A 21 7.857 1.779 1.591 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.780 1.410 0.641 1.00 0.00 C ATOM 299 CD2 PHE A 21 7.973 1.270 2.873 1.00 0.00 C ATOM 300 CE1 PHE A 21 9.799 0.553 0.952 1.00 0.00 C ATOM 301 CE2 PHE A 21 8.992 0.401 3.189 1.00 0.00 C ATOM 302 CZ PHE A 21 9.909 0.044 2.224 1.00 0.00 C ATOM 0 H PHE A 21 6.039 5.421 0.350 1.00 0.00 H new ATOM 0 HA PHE A 21 7.557 4.231 2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.897 2.549 1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.482 2.629 0.213 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.699 1.802 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.259 1.557 3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.519 0.275 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.073 0.000 4.189 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.713 -0.635 2.467 1.00 0.00 H new ATOM 312 N ARG A 22 9.608 4.309 1.214 1.00 0.00 N ATOM 313 CA ARG A 22 10.851 4.686 0.595 1.00 0.00 C ATOM 314 C ARG A 22 11.742 3.464 0.445 1.00 0.00 C ATOM 315 O ARG A 22 11.995 2.759 1.414 1.00 0.00 O ATOM 316 CB ARG A 22 11.547 5.729 1.452 1.00 0.00 C ATOM 317 CG ARG A 22 12.732 6.336 0.770 1.00 0.00 C ATOM 318 CD ARG A 22 13.612 7.097 1.723 1.00 0.00 C ATOM 319 NE ARG A 22 14.463 7.978 0.966 1.00 0.00 N ATOM 320 CZ ARG A 22 15.489 8.663 1.466 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.833 8.529 2.740 1.00 0.00 N ATOM 322 NH2 ARG A 22 16.180 9.480 0.686 1.00 0.00 N ATOM 0 H ARG A 22 9.713 3.885 2.136 1.00 0.00 H new ATOM 0 HA ARG A 22 10.652 5.104 -0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.837 6.516 1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.866 5.271 2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.315 5.549 0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.390 7.006 -0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.004 7.669 2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.214 6.407 2.314 1.00 0.00 H new ATOM 0 HE ARG A 22 14.265 8.085 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.310 7.897 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.621 9.058 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.926 9.584 -0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.966 10.006 1.068 1.00 0.00 H new ATOM 336 N ASP A 23 12.222 3.215 -0.759 1.00 0.00 N ATOM 337 CA ASP A 23 12.969 1.994 -1.012 1.00 0.00 C ATOM 338 C ASP A 23 14.476 2.223 -0.936 1.00 0.00 C ATOM 339 O ASP A 23 14.930 3.349 -0.741 1.00 0.00 O ATOM 340 CB ASP A 23 12.566 1.368 -2.354 1.00 0.00 C ATOM 341 CG ASP A 23 13.170 0.005 -2.602 1.00 0.00 C ATOM 342 OD1 ASP A 23 12.730 -0.964 -1.964 1.00 0.00 O ATOM 343 OD2 ASP A 23 14.093 -0.101 -3.427 1.00 0.00 O ATOM 0 H ASP A 23 12.112 3.829 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 23 12.713 1.287 -0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.480 1.285 -2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.864 2.038 -3.160 1.00 0.00 H new ATOM 348 N ASP A 24 15.228 1.150 -1.106 1.00 0.00 N ATOM 349 CA ASP A 24 16.677 1.137 -0.954 1.00 0.00 C ATOM 350 C ASP A 24 17.352 2.198 -1.818 1.00 0.00 C ATOM 351 O ASP A 24 18.253 2.912 -1.366 1.00 0.00 O ATOM 352 CB ASP A 24 17.157 -0.250 -1.352 1.00 0.00 C ATOM 353 CG ASP A 24 18.665 -0.356 -1.475 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.356 -0.295 -0.441 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.162 -0.513 -2.608 1.00 0.00 O ATOM 0 H ASP A 24 14.841 0.241 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 24 16.939 1.367 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.809 -0.972 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.703 -0.524 -2.304 1.00 0.00 H new ATOM 360 N ASP A 25 16.874 2.325 -3.045 1.00 0.00 N ATOM 361 CA ASP A 25 17.437 3.267 -4.013 1.00 0.00 C ATOM 362 C ASP A 25 17.262 4.719 -3.563 1.00 0.00 C ATOM 363 O ASP A 25 17.910 5.629 -4.083 1.00 0.00 O ATOM 364 CB ASP A 25 16.759 3.052 -5.371 1.00 0.00 C ATOM 365 CG ASP A 25 17.123 4.109 -6.394 1.00 0.00 C ATOM 366 OD1 ASP A 25 18.262 4.089 -6.900 1.00 0.00 O ATOM 367 OD2 ASP A 25 16.256 4.956 -6.713 1.00 0.00 O ATOM 0 H ASP A 25 16.088 1.783 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 25 18.508 3.079 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 25 17.036 2.071 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.678 3.046 -5.233 1.00 0.00 H new ATOM 372 N GLY A 26 16.413 4.927 -2.571 1.00 0.00 N ATOM 373 CA GLY A 26 16.069 6.272 -2.163 1.00 0.00 C ATOM 374 C GLY A 26 14.761 6.690 -2.774 1.00 0.00 C ATOM 375 O GLY A 26 14.284 7.801 -2.562 1.00 0.00 O ATOM 0 H GLY A 26 15.954 4.187 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.002 6.323 -1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.856 6.963 -2.466 1.00 0.00 H new ATOM 379 N THR A 27 14.194 5.773 -3.545 1.00 0.00 N ATOM 380 CA THR A 27 12.909 5.965 -4.189 1.00 0.00 C ATOM 381 C THR A 27 11.831 6.265 -3.161 1.00 0.00 C ATOM 382 O THR A 27 11.657 5.514 -2.201 1.00 0.00 O ATOM 383 CB THR A 27 12.520 4.691 -4.940 1.00 0.00 C ATOM 384 OG1 THR A 27 13.606 4.272 -5.777 1.00 0.00 O ATOM 385 CG2 THR A 27 11.269 4.904 -5.783 1.00 0.00 C ATOM 0 H THR A 27 14.620 4.867 -3.741 1.00 0.00 H new ATOM 0 HA THR A 27 12.994 6.805 -4.878 1.00 0.00 H new ATOM 0 HB THR A 27 12.303 3.916 -4.205 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.266 4.994 -5.842 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.019 3.980 -6.304 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.440 5.192 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.452 5.693 -6.512 1.00 0.00 H new ATOM 393 N GLU A 28 11.110 7.348 -3.368 1.00 0.00 N ATOM 394 CA GLU A 28 10.083 7.772 -2.435 1.00 0.00 C ATOM 395 C GLU A 28 8.721 7.829 -3.115 1.00 0.00 C ATOM 396 O GLU A 28 8.511 8.585 -4.069 1.00 0.00 O ATOM 397 CB GLU A 28 10.469 9.127 -1.847 1.00 0.00 C ATOM 398 CG GLU A 28 11.675 9.056 -0.925 1.00 0.00 C ATOM 399 CD GLU A 28 12.439 10.366 -0.849 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.808 11.443 -0.902 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.686 10.326 -0.763 1.00 0.00 O ATOM 0 H GLU A 28 11.217 7.956 -4.180 1.00 0.00 H new ATOM 0 HA GLU A 28 10.006 7.045 -1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.681 9.822 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.621 9.532 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.345 8.775 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.346 8.270 -1.272 1.00 0.00 H new ATOM 408 N GLU A 29 7.805 7.011 -2.619 1.00 0.00 N ATOM 409 CA GLU A 29 6.477 6.891 -3.194 1.00 0.00 C ATOM 410 C GLU A 29 5.444 6.676 -2.108 1.00 0.00 C ATOM 411 O GLU A 29 5.640 5.865 -1.204 1.00 0.00 O ATOM 412 CB GLU A 29 6.429 5.713 -4.167 1.00 0.00 C ATOM 413 CG GLU A 29 5.023 5.338 -4.624 1.00 0.00 C ATOM 414 CD GLU A 29 5.011 4.196 -5.620 1.00 0.00 C ATOM 415 OE1 GLU A 29 5.088 3.026 -5.195 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.921 4.460 -6.834 1.00 0.00 O ATOM 0 H GLU A 29 7.963 6.413 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 29 6.253 7.816 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.031 5.954 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.889 4.846 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.426 5.062 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.548 6.210 -5.073 1.00 0.00 H new ATOM 423 N TRP A 30 4.353 7.406 -2.188 1.00 0.00 N ATOM 424 CA TRP A 30 3.225 7.138 -1.333 1.00 0.00 C ATOM 425 C TRP A 30 2.136 6.446 -2.130 1.00 0.00 C ATOM 426 O TRP A 30 2.083 6.545 -3.357 1.00 0.00 O ATOM 427 CB TRP A 30 2.692 8.413 -0.676 1.00 0.00 C ATOM 428 CG TRP A 30 2.210 9.448 -1.635 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.876 10.565 -2.021 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.959 9.464 -2.324 1.00 0.00 C ATOM 431 NE1 TRP A 30 2.107 11.292 -2.898 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.924 10.630 -3.102 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.137 8.599 -2.348 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.167 10.955 -3.902 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.221 8.924 -3.147 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.226 10.096 -3.910 1.00 0.00 C ATOM 0 H TRP A 30 4.226 8.185 -2.834 1.00 0.00 H new ATOM 0 HA TRP A 30 3.556 6.481 -0.528 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.874 8.147 -0.007 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.480 8.846 -0.060 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.865 10.842 -1.688 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.373 12.179 -3.327 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.139 7.696 -1.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.175 11.857 -4.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.074 8.263 -3.181 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.088 10.326 -4.519 1.00 0.00 H new ATOM 447 N ARG A 31 1.290 5.739 -1.421 1.00 0.00 N ATOM 448 CA ARG A 31 0.183 5.005 -2.009 1.00 0.00 C ATOM 449 C ARG A 31 -1.011 5.106 -1.088 1.00 0.00 C ATOM 450 O ARG A 31 -0.928 5.713 -0.019 1.00 0.00 O ATOM 451 CB ARG A 31 0.523 3.534 -2.239 1.00 0.00 C ATOM 452 CG ARG A 31 1.639 3.289 -3.236 1.00 0.00 C ATOM 453 CD ARG A 31 1.649 1.841 -3.693 1.00 0.00 C ATOM 454 NE ARG A 31 2.880 1.494 -4.399 1.00 0.00 N ATOM 455 CZ ARG A 31 3.062 0.358 -5.067 1.00 0.00 C ATOM 456 NH1 ARG A 31 2.099 -0.556 -5.114 1.00 0.00 N ATOM 457 NH2 ARG A 31 4.221 0.117 -5.657 1.00 0.00 N ATOM 0 H ARG A 31 1.347 5.653 -0.406 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.036 5.445 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.802 3.086 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.373 3.018 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.513 3.945 -4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.598 3.538 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.532 1.188 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.795 1.662 -4.346 1.00 0.00 H new ATOM 0 HE ARG A 31 3.648 2.165 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.213 -0.389 -4.636 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.245 -1.425 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.975 0.802 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.361 -0.754 -6.169 1.00 0.00 H new ATOM 471 N CYS A 32 -2.097 4.478 -1.469 1.00 0.00 N ATOM 472 CA CYS A 32 -3.329 4.576 -0.719 1.00 0.00 C ATOM 473 C CYS A 32 -3.573 3.255 -0.051 1.00 0.00 C ATOM 474 O CYS A 32 -3.508 2.202 -0.683 1.00 0.00 O ATOM 475 CB CYS A 32 -4.507 4.888 -1.647 1.00 0.00 C ATOM 476 SG CYS A 32 -4.329 6.438 -2.580 1.00 0.00 S ATOM 0 H CYS A 32 -2.154 3.889 -2.300 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.243 5.379 0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.628 4.065 -2.351 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.420 4.937 -1.053 1.00 0.00 H new ATOM 481 N LEU A 33 -3.815 3.334 1.249 1.00 0.00 N ATOM 482 CA LEU A 33 -3.831 2.169 2.109 1.00 0.00 C ATOM 483 C LEU A 33 -4.887 1.173 1.648 1.00 0.00 C ATOM 484 O LEU A 33 -5.764 1.499 0.847 1.00 0.00 O ATOM 485 CB LEU A 33 -4.082 2.583 3.561 1.00 0.00 C ATOM 486 CG LEU A 33 -3.187 3.688 4.139 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.056 3.511 5.641 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.816 3.731 3.490 1.00 0.00 C ATOM 0 H LEU A 33 -4.006 4.211 1.734 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.857 1.684 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.119 2.909 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.974 1.698 4.188 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.667 4.642 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.420 4.298 6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.042 3.569 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.612 2.539 5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.226 4.531 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.310 2.778 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.925 3.915 2.421 1.00 0.00 H new ATOM 500 N LEU A 34 -4.802 -0.030 2.170 1.00 0.00 N ATOM 501 CA LEU A 34 -5.592 -1.131 1.687 1.00 0.00 C ATOM 502 C LEU A 34 -7.069 -0.923 1.955 1.00 0.00 C ATOM 503 O LEU A 34 -7.483 -0.608 3.068 1.00 0.00 O ATOM 504 CB LEU A 34 -5.081 -2.417 2.315 1.00 0.00 C ATOM 505 CG LEU A 34 -3.596 -2.658 2.065 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.146 -3.971 2.666 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.309 -2.622 0.578 1.00 0.00 C ATOM 0 H LEU A 34 -4.181 -0.269 2.943 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.488 -1.197 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.262 -2.386 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.651 -3.258 1.920 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.032 -1.863 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.083 -4.115 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.319 -3.957 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.711 -4.789 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.246 -2.795 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.888 -3.398 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.586 -1.647 0.177 1.00 0.00 H new ATOM 519 N GLY A 35 -7.852 -1.080 0.902 1.00 0.00 N ATOM 520 CA GLY A 35 -9.279 -0.864 0.986 1.00 0.00 C ATOM 521 C GLY A 35 -9.653 0.569 0.680 1.00 0.00 C ATOM 522 O GLY A 35 -10.830 0.941 0.726 1.00 0.00 O ATOM 0 H GLY A 35 -7.519 -1.357 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.788 -1.529 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.627 -1.124 1.986 1.00 0.00 H new ATOM 526 N TYR A 36 -8.646 1.372 0.373 1.00 0.00 N ATOM 527 CA TYR A 36 -8.851 2.776 0.073 1.00 0.00 C ATOM 528 C TYR A 36 -8.769 3.006 -1.423 1.00 0.00 C ATOM 529 O TYR A 36 -8.684 2.056 -2.201 1.00 0.00 O ATOM 530 CB TYR A 36 -7.814 3.640 0.789 1.00 0.00 C ATOM 531 CG TYR A 36 -7.858 3.540 2.300 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.722 2.671 2.953 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.027 4.324 3.067 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.747 2.591 4.329 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.047 4.254 4.446 1.00 0.00 C ATOM 536 CZ TYR A 36 -7.909 3.386 5.072 1.00 0.00 C ATOM 537 OH TYR A 36 -7.930 3.317 6.448 1.00 0.00 O ATOM 0 H TYR A 36 -7.673 1.070 0.326 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.842 3.060 0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.820 3.353 0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.963 4.681 0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.386 2.047 2.373 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.346 5.007 2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.422 1.906 4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.388 4.879 5.030 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.274 3.945 6.817 1.00 0.00 H new ATOM 547 N LYS A 37 -8.820 4.262 -1.823 1.00 0.00 N ATOM 548 CA LYS A 37 -8.792 4.613 -3.222 1.00 0.00 C ATOM 549 C LYS A 37 -8.170 5.981 -3.401 1.00 0.00 C ATOM 550 O LYS A 37 -7.920 6.693 -2.427 1.00 0.00 O ATOM 551 CB LYS A 37 -10.211 4.626 -3.772 1.00 0.00 C ATOM 552 CG LYS A 37 -11.107 5.634 -3.085 1.00 0.00 C ATOM 553 CD LYS A 37 -12.521 5.572 -3.610 1.00 0.00 C ATOM 554 CE LYS A 37 -13.330 6.757 -3.118 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.691 6.793 -3.708 1.00 0.00 N ATOM 0 H LYS A 37 -8.881 5.059 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.197 3.876 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.178 4.846 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.644 3.632 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.109 5.447 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.707 6.637 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.509 5.561 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.993 4.644 -3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.408 6.715 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.805 7.680 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.206 7.619 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.619 6.860 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.203 5.925 -3.452 1.00 0.00 H new ATOM 569 N LYS A 38 -7.944 6.344 -4.648 1.00 0.00 N ATOM 570 CA LYS A 38 -7.409 7.649 -4.977 1.00 0.00 C ATOM 571 C LYS A 38 -8.559 8.621 -5.179 1.00 0.00 C ATOM 572 O LYS A 38 -9.499 8.338 -5.925 1.00 0.00 O ATOM 573 CB LYS A 38 -6.551 7.575 -6.240 1.00 0.00 C ATOM 574 CG LYS A 38 -5.630 8.769 -6.406 1.00 0.00 C ATOM 575 CD LYS A 38 -4.495 8.739 -5.396 1.00 0.00 C ATOM 576 CE LYS A 38 -3.346 7.854 -5.864 1.00 0.00 C ATOM 577 NZ LYS A 38 -2.850 8.235 -7.215 1.00 0.00 N ATOM 0 H LYS A 38 -8.125 5.748 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.777 7.995 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.953 6.664 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.203 7.503 -7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.220 8.776 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.201 9.690 -6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.129 9.752 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.869 8.374 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.527 7.918 -5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.675 6.815 -5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.810 8.219 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.211 7.561 -7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.182 9.192 -7.450 1.00 0.00 H new ATOM 591 N GLY A 39 -8.484 9.749 -4.498 1.00 0.00 N ATOM 592 CA GLY A 39 -9.555 10.713 -4.541 1.00 0.00 C ATOM 593 C GLY A 39 -9.336 11.795 -5.578 1.00 0.00 C ATOM 594 O GLY A 39 -9.540 11.574 -6.769 1.00 0.00 O ATOM 0 H GLY A 39 -7.693 10.015 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.492 10.198 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.661 11.174 -3.559 1.00 0.00 H new ATOM 598 N GLU A 40 -8.901 12.961 -5.124 1.00 0.00 N ATOM 599 CA GLU A 40 -8.741 14.120 -5.999 1.00 0.00 C ATOM 600 C GLU A 40 -7.372 14.120 -6.689 1.00 0.00 C ATOM 601 O GLU A 40 -6.610 15.093 -6.622 1.00 0.00 O ATOM 602 CB GLU A 40 -8.952 15.412 -5.201 1.00 0.00 C ATOM 603 CG GLU A 40 -7.979 15.591 -4.049 1.00 0.00 C ATOM 604 CD GLU A 40 -8.351 16.752 -3.153 1.00 0.00 C ATOM 605 OE1 GLU A 40 -7.974 17.897 -3.469 1.00 0.00 O ATOM 606 OE2 GLU A 40 -9.018 16.522 -2.125 1.00 0.00 O ATOM 0 H GLU A 40 -8.651 13.133 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.497 14.062 -6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.861 16.263 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.969 15.423 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.948 14.676 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.976 15.749 -4.446 1.00 0.00 H new ATOM 613 N GLY A 41 -7.064 13.023 -7.357 1.00 0.00 N ATOM 614 CA GLY A 41 -5.816 12.926 -8.081 1.00 0.00 C ATOM 615 C GLY A 41 -4.690 12.375 -7.235 1.00 0.00 C ATOM 616 O GLY A 41 -4.196 11.278 -7.484 1.00 0.00 O ATOM 0 H GLY A 41 -7.657 12.195 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.956 12.287 -8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.538 13.913 -8.450 1.00 0.00 H new ATOM 620 N ASN A 42 -4.294 13.131 -6.227 1.00 0.00 N ATOM 621 CA ASN A 42 -3.176 12.750 -5.372 1.00 0.00 C ATOM 622 C ASN A 42 -3.606 12.671 -3.916 1.00 0.00 C ATOM 623 O ASN A 42 -2.915 13.152 -3.024 1.00 0.00 O ATOM 624 CB ASN A 42 -2.013 13.738 -5.532 1.00 0.00 C ATOM 625 CG ASN A 42 -2.417 15.186 -5.283 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.882 15.883 -6.189 1.00 0.00 O ATOM 627 ND2 ASN A 42 -2.222 15.651 -4.061 1.00 0.00 N ATOM 0 H ASN A 42 -4.731 14.018 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.838 11.761 -5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.216 13.466 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.605 13.649 -6.539 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.458 16.618 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.835 15.043 -3.339 1.00 0.00 H new ATOM 634 N THR A 43 -4.741 12.044 -3.677 1.00 0.00 N ATOM 635 CA THR A 43 -5.216 11.850 -2.325 1.00 0.00 C ATOM 636 C THR A 43 -5.750 10.457 -2.151 1.00 0.00 C ATOM 637 O THR A 43 -6.158 9.808 -3.108 1.00 0.00 O ATOM 638 CB THR A 43 -6.311 12.845 -1.900 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.375 12.874 -2.851 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.731 14.233 -1.715 1.00 0.00 C ATOM 0 H THR A 43 -5.349 11.662 -4.401 1.00 0.00 H new ATOM 0 HA THR A 43 -4.349 12.023 -1.687 1.00 0.00 H new ATOM 0 HB THR A 43 -6.716 12.508 -0.946 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.233 12.786 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.522 14.921 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.961 14.206 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.292 14.572 -2.653 1.00 0.00 H new ATOM 648 N CYS A 44 -5.753 10.015 -0.926 1.00 0.00 N ATOM 649 CA CYS A 44 -6.231 8.705 -0.603 1.00 0.00 C ATOM 650 C CYS A 44 -7.371 8.817 0.370 1.00 0.00 C ATOM 651 O CYS A 44 -7.305 9.575 1.340 1.00 0.00 O ATOM 652 CB CYS A 44 -5.100 7.873 -0.033 1.00 0.00 C ATOM 653 SG CYS A 44 -3.686 7.744 -1.172 1.00 0.00 S ATOM 0 H CYS A 44 -5.424 10.554 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.594 8.208 -1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.767 8.314 0.906 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.469 6.874 0.197 1.00 0.00 H new ATOM 658 N VAL A 45 -8.416 8.082 0.084 1.00 0.00 N ATOM 659 CA VAL A 45 -9.623 8.106 0.879 1.00 0.00 C ATOM 660 C VAL A 45 -10.149 6.701 1.036 1.00 0.00 C ATOM 661 O VAL A 45 -9.915 5.847 0.180 1.00 0.00 O ATOM 662 CB VAL A 45 -10.713 8.984 0.228 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.332 10.458 0.289 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.939 8.565 -1.222 1.00 0.00 C ATOM 0 H VAL A 45 -8.456 7.445 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.377 8.531 1.852 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.638 8.842 0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.116 11.056 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.214 10.761 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.393 10.613 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.710 9.194 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.011 8.678 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.257 7.523 -1.254 1.00 0.00 H new ATOM 674 N GLU A 46 -10.827 6.455 2.142 1.00 0.00 N ATOM 675 CA GLU A 46 -11.419 5.159 2.385 1.00 0.00 C ATOM 676 C GLU A 46 -12.455 4.841 1.326 1.00 0.00 C ATOM 677 O GLU A 46 -13.559 5.383 1.340 1.00 0.00 O ATOM 678 CB GLU A 46 -12.070 5.103 3.762 1.00 0.00 C ATOM 679 CG GLU A 46 -11.084 5.048 4.916 1.00 0.00 C ATOM 680 CD GLU A 46 -11.775 5.112 6.264 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.165 6.223 6.687 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.948 4.054 6.897 1.00 0.00 O ATOM 0 H GLU A 46 -10.980 7.138 2.884 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.620 4.419 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.708 5.978 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.717 4.227 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.503 4.128 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.381 5.876 4.831 1.00 0.00 H new ATOM 689 N ASN A 47 -12.081 3.972 0.404 1.00 0.00 N ATOM 690 CA ASN A 47 -12.980 3.531 -0.647 1.00 0.00 C ATOM 691 C ASN A 47 -14.146 2.777 -0.036 1.00 0.00 C ATOM 692 O ASN A 47 -15.292 2.926 -0.456 1.00 0.00 O ATOM 693 CB ASN A 47 -12.208 2.663 -1.650 1.00 0.00 C ATOM 694 CG ASN A 47 -13.074 2.047 -2.733 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.177 2.504 -3.012 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.537 1.035 -3.390 1.00 0.00 N ATOM 0 H ASN A 47 -11.151 3.554 0.362 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.381 4.391 -1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.435 3.271 -2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.701 1.865 -1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.043 0.603 -4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.616 0.686 -3.125 1.00 0.00 H new ATOM 703 N ASN A 48 -13.817 1.959 0.963 1.00 0.00 N ATOM 704 CA ASN A 48 -14.800 1.278 1.813 1.00 0.00 C ATOM 705 C ASN A 48 -15.566 0.195 1.058 1.00 0.00 C ATOM 706 O ASN A 48 -16.212 -0.657 1.660 1.00 0.00 O ATOM 707 CB ASN A 48 -15.762 2.281 2.441 1.00 0.00 C ATOM 708 CG ASN A 48 -16.160 1.872 3.840 1.00 0.00 C ATOM 709 OD1 ASN A 48 -17.182 1.218 4.051 1.00 0.00 O ATOM 710 ND2 ASN A 48 -15.322 2.216 4.805 1.00 0.00 N ATOM 0 H ASN A 48 -12.850 1.746 1.210 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.244 0.782 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.295 3.265 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.653 2.369 1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.512 1.939 5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.487 2.759 4.586 1.00 0.00 H new ATOM 717 N ASN A 49 -15.477 0.231 -0.260 1.00 0.00 N ATOM 718 CA ASN A 49 -15.951 -0.856 -1.105 1.00 0.00 C ATOM 719 C ASN A 49 -14.854 -1.234 -2.111 1.00 0.00 C ATOM 720 O ASN A 49 -15.058 -1.193 -3.325 1.00 0.00 O ATOM 721 CB ASN A 49 -17.204 -0.426 -1.844 1.00 0.00 C ATOM 722 CG ASN A 49 -17.873 -1.569 -2.591 1.00 0.00 C ATOM 723 OD1 ASN A 49 -17.831 -2.724 -2.162 1.00 0.00 O ATOM 724 ND2 ASN A 49 -18.498 -1.253 -3.714 1.00 0.00 N ATOM 0 H ASN A 49 -15.075 1.013 -0.776 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.187 -1.721 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.911 -0.001 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.950 0.364 -2.551 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.967 -1.977 -4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.510 -0.285 -4.036 1.00 0.00 H new ATOM 731 N PRO A 50 -13.659 -1.561 -1.605 1.00 0.00 N ATOM 732 CA PRO A 50 -12.502 -1.876 -2.432 1.00 0.00 C ATOM 733 C PRO A 50 -12.691 -3.125 -3.276 1.00 0.00 C ATOM 734 O PRO A 50 -13.219 -4.138 -2.815 1.00 0.00 O ATOM 735 CB PRO A 50 -11.369 -2.075 -1.433 1.00 0.00 C ATOM 736 CG PRO A 50 -12.033 -2.325 -0.131 1.00 0.00 C ATOM 737 CD PRO A 50 -13.346 -1.623 -0.184 1.00 0.00 C ATOM 0 HA PRO A 50 -12.313 -1.081 -3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.736 -2.915 -1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.728 -1.195 -1.385 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.171 -3.393 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.426 -1.950 0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.111 -2.167 0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.283 -0.627 0.254 1.00 0.00 H new ATOM 745 N THR A 51 -12.244 -3.033 -4.509 1.00 0.00 N ATOM 746 CA THR A 51 -12.326 -4.125 -5.454 1.00 0.00 C ATOM 747 C THR A 51 -10.926 -4.496 -5.907 1.00 0.00 C ATOM 748 O THR A 51 -10.034 -3.643 -5.922 1.00 0.00 O ATOM 749 CB THR A 51 -13.189 -3.734 -6.676 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.363 -4.862 -7.539 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.561 -2.585 -7.461 1.00 0.00 C ATOM 0 H THR A 51 -11.810 -2.191 -4.887 1.00 0.00 H new ATOM 0 HA THR A 51 -12.797 -4.979 -4.967 1.00 0.00 H new ATOM 0 HB THR A 51 -14.158 -3.404 -6.302 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.912 -4.604 -8.308 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.195 -2.337 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.464 -1.713 -6.815 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.575 -2.884 -7.817 1.00 0.00 H new ATOM 759 N CYS A 52 -10.708 -5.749 -6.262 1.00 0.00 N ATOM 760 CA CYS A 52 -9.426 -6.118 -6.809 1.00 0.00 C ATOM 761 C CYS A 52 -9.492 -5.814 -8.288 1.00 0.00 C ATOM 762 O CYS A 52 -10.417 -6.253 -8.974 1.00 0.00 O ATOM 763 CB CYS A 52 -9.142 -7.604 -6.578 1.00 0.00 C ATOM 764 SG CYS A 52 -7.391 -8.068 -6.777 1.00 0.00 S ATOM 0 H CYS A 52 -11.386 -6.507 -6.183 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.621 -5.564 -6.326 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.466 -7.872 -5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.743 -8.190 -7.273 1.00 0.00 H new ATOM 769 N ASP A 53 -8.483 -5.098 -8.756 1.00 0.00 N ATOM 770 CA ASP A 53 -8.503 -4.428 -10.057 1.00 0.00 C ATOM 771 C ASP A 53 -7.662 -3.181 -9.943 1.00 0.00 C ATOM 772 O ASP A 53 -6.694 -2.988 -10.673 1.00 0.00 O ATOM 773 CB ASP A 53 -9.917 -3.982 -10.462 1.00 0.00 C ATOM 774 CG ASP A 53 -9.946 -3.314 -11.823 1.00 0.00 C ATOM 775 OD1 ASP A 53 -9.749 -2.082 -11.889 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.182 -4.016 -12.829 1.00 0.00 O ATOM 0 H ASP A 53 -7.613 -4.961 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.132 -5.130 -10.804 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.579 -4.848 -10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.305 -3.292 -9.713 1.00 0.00 H new ATOM 781 N ILE A 54 -8.043 -2.350 -8.979 1.00 0.00 N ATOM 782 CA ILE A 54 -7.393 -1.078 -8.750 1.00 0.00 C ATOM 783 C ILE A 54 -6.048 -1.297 -8.117 1.00 0.00 C ATOM 784 O ILE A 54 -5.944 -1.353 -6.893 1.00 0.00 O ATOM 785 CB ILE A 54 -8.207 -0.178 -7.812 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.647 -0.052 -8.315 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.526 1.181 -7.692 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.567 0.672 -7.354 1.00 0.00 C ATOM 0 H ILE A 54 -8.812 -2.545 -8.338 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.299 -0.592 -9.721 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.249 -0.624 -6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.644 0.476 -9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.045 -1.049 -8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.105 1.820 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.522 1.050 -7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.464 1.645 -8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.570 0.723 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.601 0.133 -6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.194 1.682 -7.184 1.00 0.00 H new ATOM 800 N ASN A 55 -5.033 -1.446 -8.945 1.00 0.00 N ATOM 801 CA ASN A 55 -3.695 -1.683 -8.456 1.00 0.00 C ATOM 802 C ASN A 55 -3.724 -2.888 -7.524 1.00 0.00 C ATOM 803 O ASN A 55 -3.206 -2.843 -6.413 1.00 0.00 O ATOM 804 CB ASN A 55 -3.191 -0.436 -7.723 1.00 0.00 C ATOM 805 CG ASN A 55 -1.686 -0.297 -7.739 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.102 0.227 -8.690 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.053 -0.735 -6.685 1.00 0.00 N ATOM 0 H ASN A 55 -5.113 -1.407 -9.961 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.016 -1.889 -9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.635 0.449 -8.179 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.534 -0.468 -6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.038 -0.650 -6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.573 -1.163 -5.919 1.00 0.00 H new ATOM 814 N ASN A 56 -4.416 -3.941 -7.973 1.00 0.00 N ATOM 815 CA ASN A 56 -4.526 -5.201 -7.225 1.00 0.00 C ATOM 816 C ASN A 56 -5.356 -4.990 -5.963 1.00 0.00 C ATOM 817 O ASN A 56 -5.172 -5.682 -4.982 1.00 0.00 O ATOM 818 CB ASN A 56 -3.148 -5.759 -6.818 1.00 0.00 C ATOM 819 CG ASN A 56 -2.056 -5.466 -7.799 1.00 0.00 C ATOM 820 OD1 ASN A 56 -0.958 -4.986 -7.271 1.00 0.00 O flip ATOM 821 ND2 ASN A 56 -2.203 -5.640 -9.008 1.00 0.00 N flip ATOM 0 H ASN A 56 -4.915 -3.945 -8.863 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.008 -5.921 -7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.872 -5.344 -5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.228 -6.839 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.080 -6.017 -9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.447 -5.407 -9.652 1.00 0.00 H new ATOM 828 N GLY A 57 -6.246 -4.008 -5.981 1.00 0.00 N ATOM 829 CA GLY A 57 -7.079 -3.740 -4.827 1.00 0.00 C ATOM 830 C GLY A 57 -6.432 -2.766 -3.863 1.00 0.00 C ATOM 831 O GLY A 57 -6.978 -2.475 -2.801 1.00 0.00 O ATOM 0 H GLY A 57 -6.406 -3.391 -6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.036 -3.338 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.289 -4.675 -4.308 1.00 0.00 H new ATOM 835 N GLY A 58 -5.279 -2.240 -4.250 1.00 0.00 N ATOM 836 CA GLY A 58 -4.534 -1.370 -3.368 1.00 0.00 C ATOM 837 C GLY A 58 -3.225 -2.003 -2.936 1.00 0.00 C ATOM 838 O GLY A 58 -2.536 -1.496 -2.061 1.00 0.00 O ATOM 0 H GLY A 58 -4.847 -2.401 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.333 -0.425 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.136 -1.140 -2.489 1.00 0.00 H new ATOM 842 N CYS A 59 -2.874 -3.086 -3.601 1.00 0.00 N ATOM 843 CA CYS A 59 -1.709 -3.887 -3.268 1.00 0.00 C ATOM 844 C CYS A 59 -0.617 -3.651 -4.281 1.00 0.00 C ATOM 845 O CYS A 59 -0.763 -2.874 -5.211 1.00 0.00 O ATOM 846 CB CYS A 59 -2.052 -5.375 -3.302 1.00 0.00 C ATOM 847 SG CYS A 59 -3.663 -5.809 -2.574 1.00 0.00 S ATOM 0 H CYS A 59 -3.398 -3.441 -4.401 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.382 -3.599 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.035 -5.713 -4.338 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.272 -5.925 -2.775 1.00 0.00 H new ATOM 852 N ASP A 60 0.472 -4.340 -4.094 1.00 0.00 N ATOM 853 CA ASP A 60 1.567 -4.311 -5.035 1.00 0.00 C ATOM 854 C ASP A 60 1.445 -5.562 -5.856 1.00 0.00 C ATOM 855 O ASP A 60 0.925 -6.550 -5.376 1.00 0.00 O ATOM 856 CB ASP A 60 2.871 -4.327 -4.259 1.00 0.00 C ATOM 857 CG ASP A 60 4.080 -4.025 -5.115 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.654 -4.973 -5.685 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.461 -2.844 -5.220 1.00 0.00 O ATOM 0 H ASP A 60 0.631 -4.940 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 60 1.547 -3.424 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.814 -3.597 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.998 -5.305 -3.795 1.00 0.00 H new ATOM 864 N PRO A 61 1.801 -5.514 -7.144 1.00 0.00 N ATOM 865 CA PRO A 61 1.637 -6.661 -8.031 1.00 0.00 C ATOM 866 C PRO A 61 2.383 -7.888 -7.518 1.00 0.00 C ATOM 867 O PRO A 61 2.146 -9.012 -7.964 1.00 0.00 O ATOM 868 CB PRO A 61 2.237 -6.194 -9.359 1.00 0.00 C ATOM 869 CG PRO A 61 2.272 -4.708 -9.293 1.00 0.00 C ATOM 870 CD PRO A 61 2.341 -4.337 -7.841 1.00 0.00 C ATOM 0 HA PRO A 61 0.593 -6.962 -8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.238 -6.602 -9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.633 -6.533 -10.201 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.135 -4.318 -9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.385 -4.280 -9.759 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.365 -4.125 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.753 -3.444 -7.629 1.00 0.00 H new ATOM 878 N THR A 62 3.295 -7.656 -6.582 1.00 0.00 N ATOM 879 CA THR A 62 4.025 -8.723 -5.927 1.00 0.00 C ATOM 880 C THR A 62 3.274 -9.174 -4.679 1.00 0.00 C ATOM 881 O THR A 62 3.554 -10.218 -4.099 1.00 0.00 O ATOM 882 CB THR A 62 5.442 -8.246 -5.562 1.00 0.00 C ATOM 883 OG1 THR A 62 5.381 -7.234 -4.546 1.00 0.00 O ATOM 884 CG2 THR A 62 6.114 -7.667 -6.792 1.00 0.00 C ATOM 0 H THR A 62 3.546 -6.722 -6.259 1.00 0.00 H new ATOM 0 HA THR A 62 4.110 -9.570 -6.608 1.00 0.00 H new ATOM 0 HB THR A 62 6.012 -9.097 -5.189 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.416 -6.348 -4.964 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.118 -7.329 -6.533 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.177 -8.432 -7.566 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.531 -6.823 -7.162 1.00 0.00 H new ATOM 892 N ALA A 63 2.312 -8.361 -4.277 1.00 0.00 N ATOM 893 CA ALA A 63 1.381 -8.709 -3.224 1.00 0.00 C ATOM 894 C ALA A 63 0.142 -9.363 -3.828 1.00 0.00 C ATOM 895 O ALA A 63 -0.680 -8.688 -4.447 1.00 0.00 O ATOM 896 CB ALA A 63 0.982 -7.464 -2.434 1.00 0.00 C ATOM 0 H ALA A 63 2.156 -7.435 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 63 1.864 -9.412 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.282 -7.742 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.870 -7.016 -1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.509 -6.745 -3.103 1.00 0.00 H new ATOM 902 N SER A 64 0.024 -10.677 -3.667 1.00 0.00 N ATOM 903 CA SER A 64 -1.141 -11.409 -4.150 1.00 0.00 C ATOM 904 C SER A 64 -2.413 -10.787 -3.583 1.00 0.00 C ATOM 905 O SER A 64 -2.542 -10.629 -2.370 1.00 0.00 O ATOM 906 CB SER A 64 -1.049 -12.885 -3.746 1.00 0.00 C ATOM 907 OG SER A 64 -2.071 -13.659 -4.353 1.00 0.00 O ATOM 0 H SER A 64 0.723 -11.258 -3.204 1.00 0.00 H new ATOM 0 HA SER A 64 -1.169 -11.349 -5.238 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.074 -13.281 -4.032 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.122 -12.971 -2.662 1.00 0.00 H new ATOM 0 HG SER A 64 -1.982 -14.595 -4.075 1.00 0.00 H new ATOM 913 N CYS A 65 -3.329 -10.412 -4.464 1.00 0.00 N ATOM 914 CA CYS A 65 -4.559 -9.757 -4.047 1.00 0.00 C ATOM 915 C CYS A 65 -5.704 -10.738 -3.920 1.00 0.00 C ATOM 916 O CYS A 65 -5.893 -11.626 -4.751 1.00 0.00 O ATOM 917 CB CYS A 65 -4.960 -8.659 -5.028 1.00 0.00 C ATOM 918 SG CYS A 65 -6.700 -8.123 -4.867 1.00 0.00 S ATOM 0 H CYS A 65 -3.243 -10.550 -5.471 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.358 -9.319 -3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.309 -7.797 -4.880 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.792 -9.014 -6.045 1.00 0.00 H new ATOM 923 N GLN A 66 -6.456 -10.553 -2.859 1.00 0.00 N ATOM 924 CA GLN A 66 -7.696 -11.271 -2.633 1.00 0.00 C ATOM 925 C GLN A 66 -8.769 -10.252 -2.296 1.00 0.00 C ATOM 926 O GLN A 66 -8.585 -9.451 -1.381 1.00 0.00 O ATOM 927 CB GLN A 66 -7.556 -12.240 -1.460 1.00 0.00 C ATOM 928 CG GLN A 66 -6.141 -12.726 -1.239 1.00 0.00 C ATOM 929 CD GLN A 66 -5.847 -14.024 -1.960 1.00 0.00 C ATOM 930 OE1 GLN A 66 -6.862 -14.859 -2.104 1.00 0.00 O flip ATOM 931 NE2 GLN A 66 -4.715 -14.279 -2.367 1.00 0.00 N flip ATOM 0 H GLN A 66 -6.223 -9.892 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.952 -11.841 -3.526 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.909 -11.751 -0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.204 -13.100 -1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.442 -11.961 -1.578 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.971 -12.862 -0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.961 -13.605 -2.234 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.530 -15.165 -2.838 1.00 0.00 H new ATOM 940 N ASN A 67 -9.866 -10.240 -3.028 1.00 0.00 N ATOM 941 CA ASN A 67 -10.942 -9.329 -2.688 1.00 0.00 C ATOM 942 C ASN A 67 -11.954 -9.996 -1.795 1.00 0.00 C ATOM 943 O ASN A 67 -12.498 -11.060 -2.099 1.00 0.00 O ATOM 944 CB ASN A 67 -11.622 -8.695 -3.901 1.00 0.00 C ATOM 945 CG ASN A 67 -12.000 -9.662 -5.005 1.00 0.00 C ATOM 946 OD1 ASN A 67 -11.357 -10.694 -5.217 1.00 0.00 O ATOM 947 ND2 ASN A 67 -13.045 -9.316 -5.736 1.00 0.00 N ATOM 0 H ASN A 67 -10.035 -10.833 -3.841 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.473 -8.509 -2.144 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.523 -8.181 -3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.958 -7.937 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.347 -9.910 -6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.550 -8.454 -5.528 1.00 0.00 H new ATOM 954 N ALA A 68 -12.194 -9.336 -0.697 1.00 0.00 N ATOM 955 CA ALA A 68 -13.005 -9.873 0.375 1.00 0.00 C ATOM 956 C ALA A 68 -13.872 -8.787 0.972 1.00 0.00 C ATOM 957 O ALA A 68 -13.788 -7.619 0.582 1.00 0.00 O ATOM 958 CB ALA A 68 -12.111 -10.476 1.441 1.00 0.00 C ATOM 0 H ALA A 68 -11.832 -8.400 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.654 -10.651 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.726 -10.879 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.514 -11.277 1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.450 -9.706 1.840 1.00 0.00 H new ATOM 964 N GLU A 69 -14.708 -9.181 1.904 1.00 0.00 N ATOM 965 CA GLU A 69 -15.546 -8.250 2.625 1.00 0.00 C ATOM 966 C GLU A 69 -15.394 -8.456 4.127 1.00 0.00 C ATOM 967 O GLU A 69 -15.754 -9.498 4.677 1.00 0.00 O ATOM 968 CB GLU A 69 -16.995 -8.393 2.191 1.00 0.00 C ATOM 969 CG GLU A 69 -17.441 -9.823 2.219 1.00 0.00 C ATOM 970 CD GLU A 69 -18.912 -10.006 1.922 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.718 -9.982 2.870 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.265 -10.188 0.740 1.00 0.00 O ATOM 0 H GLU A 69 -14.827 -10.155 2.184 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.227 -7.234 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.632 -7.800 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.115 -7.994 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.859 -10.390 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.222 -10.244 3.201 1.00 0.00 H new ATOM 979 N SER A 70 -14.812 -7.465 4.768 1.00 0.00 N ATOM 980 CA SER A 70 -14.601 -7.490 6.206 1.00 0.00 C ATOM 981 C SER A 70 -15.103 -6.189 6.808 1.00 0.00 C ATOM 982 O SER A 70 -15.306 -5.204 6.091 1.00 0.00 O ATOM 983 CB SER A 70 -13.114 -7.684 6.522 1.00 0.00 C ATOM 984 OG SER A 70 -12.911 -8.033 7.881 1.00 0.00 O ATOM 0 H SER A 70 -14.471 -6.619 4.311 1.00 0.00 H new ATOM 0 HA SER A 70 -15.153 -8.324 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.704 -8.464 5.880 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.571 -6.766 6.296 1.00 0.00 H new ATOM 0 HG SER A 70 -11.979 -8.306 8.013 1.00 0.00 H new ATOM 990 N THR A 71 -15.299 -6.190 8.119 1.00 0.00 N ATOM 991 CA THR A 71 -15.776 -5.011 8.829 1.00 0.00 C ATOM 992 C THR A 71 -14.771 -3.862 8.714 1.00 0.00 C ATOM 993 O THR A 71 -15.129 -2.687 8.852 1.00 0.00 O ATOM 994 CB THR A 71 -16.046 -5.339 10.314 1.00 0.00 C ATOM 995 OG1 THR A 71 -16.498 -4.174 11.011 1.00 0.00 O ATOM 996 CG2 THR A 71 -14.801 -5.894 10.986 1.00 0.00 C ATOM 0 H THR A 71 -15.134 -7.000 8.716 1.00 0.00 H new ATOM 0 HA THR A 71 -16.712 -4.697 8.367 1.00 0.00 H new ATOM 0 HB THR A 71 -16.826 -6.100 10.351 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.666 -4.399 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.020 -6.116 12.030 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.490 -6.807 10.478 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.999 -5.157 10.932 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.520 -4.208 8.438 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.487 -3.213 8.204 1.00 0.00 C ATOM 1006 C GLU A 72 -12.250 -3.086 6.709 1.00 0.00 C ATOM 1007 O GLU A 72 -12.120 -4.089 6.011 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.183 -3.615 8.891 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.372 -4.142 10.301 1.00 0.00 C ATOM 1010 CD GLU A 72 -10.065 -4.314 11.045 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -9.467 -3.297 11.449 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -9.626 -5.467 11.231 1.00 0.00 O ATOM 0 H GLU A 72 -13.198 -5.173 8.371 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.817 -2.259 8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.687 -4.378 8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.518 -2.752 8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.013 -3.458 10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.889 -5.100 10.259 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.210 -1.850 6.220 1.00 0.00 N ATOM 1020 CA ASN A 73 -11.924 -1.580 4.811 1.00 0.00 C ATOM 1021 C ASN A 73 -10.544 -2.091 4.438 1.00 0.00 C ATOM 1022 O ASN A 73 -10.329 -2.536 3.312 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.023 -0.080 4.495 1.00 0.00 C ATOM 1024 CG ASN A 73 -11.741 0.799 5.697 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -10.593 1.095 6.006 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -12.790 1.222 6.386 1.00 0.00 N ATOM 0 H ASN A 73 -12.373 -1.014 6.781 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.674 -2.106 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.319 0.165 3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.021 0.141 4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.657 1.815 7.205 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.731 0.954 6.098 1.00 0.00 H new ATOM 1033 N SER A 74 -9.622 -2.057 5.390 1.00 0.00 N ATOM 1034 CA SER A 74 -8.263 -2.520 5.143 1.00 0.00 C ATOM 1035 C SER A 74 -8.202 -4.044 5.121 1.00 0.00 C ATOM 1036 O SER A 74 -7.302 -4.638 4.532 1.00 0.00 O ATOM 1037 CB SER A 74 -7.314 -1.953 6.201 1.00 0.00 C ATOM 1038 OG SER A 74 -7.823 -2.174 7.508 1.00 0.00 O ATOM 0 H SER A 74 -9.789 -1.715 6.337 1.00 0.00 H new ATOM 0 HA SER A 74 -7.948 -2.160 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.334 -2.420 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.176 -0.884 6.036 1.00 0.00 H new ATOM 0 HG SER A 74 -7.200 -1.805 8.168 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.187 -4.667 5.752 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.264 -6.117 5.817 1.00 0.00 C ATOM 1046 C LYS A 75 -10.111 -6.671 4.684 1.00 0.00 C ATOM 1047 O LYS A 75 -10.430 -7.861 4.661 1.00 0.00 O ATOM 1048 CB LYS A 75 -9.852 -6.535 7.157 1.00 0.00 C ATOM 1049 CG LYS A 75 -8.932 -6.246 8.317 1.00 0.00 C ATOM 1050 CD LYS A 75 -8.144 -7.480 8.696 1.00 0.00 C ATOM 1051 CE LYS A 75 -9.037 -8.486 9.395 1.00 0.00 C ATOM 1052 NZ LYS A 75 -9.340 -8.074 10.790 1.00 0.00 N ATOM 0 H LYS A 75 -9.949 -4.185 6.229 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.257 -6.522 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.798 -6.015 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.075 -7.602 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.248 -5.439 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.514 -5.903 9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.709 -7.929 7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.316 -7.204 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.967 -8.596 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.551 -9.462 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.344 -8.254 10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.749 -8.619 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.140 -7.060 10.904 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.484 -5.809 3.751 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.276 -6.238 2.616 1.00 0.00 C ATOM 1068 C LYS A 76 -10.379 -6.742 1.504 1.00 0.00 C ATOM 1069 O LYS A 76 -10.592 -7.814 0.952 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.138 -5.118 2.080 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.148 -4.576 3.069 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.032 -3.567 2.380 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.771 -2.658 3.339 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.783 -3.381 4.157 1.00 0.00 N ATOM 0 H LYS A 76 -10.252 -4.816 3.759 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.925 -7.042 2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.492 -4.302 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.668 -5.475 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.751 -5.389 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.635 -4.112 3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.423 -2.959 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.757 -4.094 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.052 -2.176 4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.265 -1.867 2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.465 -2.700 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.284 -4.070 3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.308 -3.879 4.936 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.384 -5.949 1.162 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.420 -6.353 0.160 1.00 0.00 C ATOM 1090 C ILE A 77 -7.222 -6.969 0.843 1.00 0.00 C ATOM 1091 O ILE A 77 -6.535 -6.321 1.634 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.957 -5.177 -0.723 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.134 -4.577 -1.484 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.882 -5.627 -1.699 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.813 -5.561 -2.411 1.00 0.00 C ATOM 0 H ILE A 77 -9.222 -5.025 1.562 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.908 -7.077 -0.493 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.537 -4.412 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.865 -4.199 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.785 -3.723 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.570 -4.781 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.025 -6.009 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.279 -6.413 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.641 -5.069 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.095 -5.921 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.192 -6.403 -1.833 1.00 0.00 H new ATOM 1107 N ILE A 78 -6.998 -8.224 0.553 1.00 0.00 N ATOM 1108 CA ILE A 78 -5.899 -8.950 1.140 1.00 0.00 C ATOM 1109 C ILE A 78 -4.689 -8.873 0.232 1.00 0.00 C ATOM 1110 O ILE A 78 -4.693 -9.420 -0.871 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.246 -10.430 1.406 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.452 -10.554 2.343 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.047 -11.159 1.989 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.782 -10.321 1.657 1.00 0.00 C ATOM 0 H ILE A 78 -7.568 -8.770 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.682 -8.484 2.101 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.509 -10.891 0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.453 -11.548 2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.343 -9.838 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.308 -12.202 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.215 -11.111 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.757 -10.689 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.589 -10.425 2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.802 -9.317 1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.914 -11.053 0.860 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.679 -8.172 0.691 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.451 -8.029 -0.057 1.00 0.00 C ATOM 1128 C CYS A 79 -1.360 -8.855 0.594 1.00 0.00 C ATOM 1129 O CYS A 79 -0.927 -8.569 1.712 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.056 -6.560 -0.125 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.432 -5.474 -0.593 1.00 0.00 S ATOM 0 H CYS A 79 -3.684 -7.687 1.588 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.597 -8.391 -1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.669 -6.249 0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.246 -6.441 -0.844 1.00 0.00 H new ATOM 1136 N THR A 80 -0.941 -9.888 -0.103 1.00 0.00 N ATOM 1137 CA THR A 80 0.022 -10.832 0.419 1.00 0.00 C ATOM 1138 C THR A 80 1.341 -10.731 -0.333 1.00 0.00 C ATOM 1139 O THR A 80 1.424 -11.114 -1.498 1.00 0.00 O ATOM 1140 CB THR A 80 -0.517 -12.272 0.293 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.745 -12.412 1.024 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.503 -13.286 0.790 1.00 0.00 C ATOM 0 H THR A 80 -1.259 -10.097 -1.049 1.00 0.00 H new ATOM 0 HA THR A 80 0.188 -10.592 1.469 1.00 0.00 H new ATOM 0 HB THR A 80 -0.706 -12.467 -0.763 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.077 -13.330 0.934 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.095 -14.292 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.416 -13.203 0.200 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.730 -13.090 1.838 1.00 0.00 H new ATOM 1150 N CYS A 81 2.378 -10.262 0.335 1.00 0.00 N ATOM 1151 CA CYS A 81 3.671 -10.128 -0.310 1.00 0.00 C ATOM 1152 C CYS A 81 4.341 -11.499 -0.317 1.00 0.00 C ATOM 1153 O CYS A 81 4.156 -12.297 0.607 1.00 0.00 O ATOM 1154 CB CYS A 81 4.539 -9.094 0.416 1.00 0.00 C ATOM 1155 SG CYS A 81 3.701 -7.507 0.759 1.00 0.00 S ATOM 0 H CYS A 81 2.352 -9.971 1.312 1.00 0.00 H new ATOM 0 HA CYS A 81 3.543 -9.774 -1.333 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.879 -9.522 1.359 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.428 -8.899 -0.184 1.00 0.00 H new ATOM 1160 N LYS A 82 5.087 -11.777 -1.378 1.00 0.00 N ATOM 1161 CA LYS A 82 5.541 -13.131 -1.668 1.00 0.00 C ATOM 1162 C LYS A 82 6.647 -13.609 -0.730 1.00 0.00 C ATOM 1163 O LYS A 82 7.073 -12.890 0.175 1.00 0.00 O ATOM 1164 CB LYS A 82 6.011 -13.228 -3.119 1.00 0.00 C ATOM 1165 CG LYS A 82 4.940 -12.865 -4.123 1.00 0.00 C ATOM 1166 CD LYS A 82 3.657 -13.641 -3.897 1.00 0.00 C ATOM 1167 CE LYS A 82 2.520 -13.032 -4.686 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.727 -13.137 -6.154 1.00 0.00 N ATOM 0 H LYS A 82 5.392 -11.078 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 82 4.686 -13.787 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.869 -12.570 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.353 -14.244 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.732 -11.797 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.308 -13.060 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.797 -14.680 -4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.410 -13.644 -2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.588 -13.529 -4.417 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.412 -11.983 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.891 -12.767 -6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.564 -12.584 -6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.871 -14.134 -6.414 1.00 0.00 H new ATOM 1182 N GLU A 83 7.116 -14.820 -0.974 1.00 0.00 N ATOM 1183 CA GLU A 83 8.113 -15.468 -0.125 1.00 0.00 C ATOM 1184 C GLU A 83 9.423 -14.667 0.034 1.00 0.00 C ATOM 1185 O GLU A 83 9.929 -14.553 1.148 1.00 0.00 O ATOM 1186 CB GLU A 83 8.394 -16.871 -0.661 1.00 0.00 C ATOM 1187 CG GLU A 83 7.133 -17.699 -0.792 1.00 0.00 C ATOM 1188 CD GLU A 83 7.381 -19.083 -1.348 1.00 0.00 C ATOM 1189 OE1 GLU A 83 7.829 -19.962 -0.586 1.00 0.00 O ATOM 1190 OE2 GLU A 83 7.092 -19.310 -2.539 1.00 0.00 O ATOM 0 H GLU A 83 6.818 -15.387 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 83 7.689 -15.521 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.879 -16.795 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.092 -17.379 0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.661 -17.787 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.429 -17.176 -1.439 1.00 0.00 H new ATOM 1197 N PRO A 84 9.998 -14.068 -1.042 1.00 0.00 N ATOM 1198 CA PRO A 84 11.270 -13.358 -0.928 1.00 0.00 C ATOM 1199 C PRO A 84 11.088 -11.967 -0.354 1.00 0.00 C ATOM 1200 O PRO A 84 12.032 -11.193 -0.260 1.00 0.00 O ATOM 1201 CB PRO A 84 11.755 -13.258 -2.364 1.00 0.00 C ATOM 1202 CG PRO A 84 10.513 -13.222 -3.182 1.00 0.00 C ATOM 1203 CD PRO A 84 9.465 -13.992 -2.415 1.00 0.00 C ATOM 0 HA PRO A 84 11.963 -13.872 -0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.356 -12.362 -2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.380 -14.110 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.191 -12.195 -3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.682 -13.669 -4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.501 -13.484 -2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.313 -14.985 -2.838 1.00 0.00 H new ATOM 1211 N THR A 85 9.857 -11.652 -0.005 1.00 0.00 N ATOM 1212 CA THR A 85 9.513 -10.363 0.537 1.00 0.00 C ATOM 1213 C THR A 85 9.006 -10.556 1.972 1.00 0.00 C ATOM 1214 O THR A 85 7.809 -10.689 2.223 1.00 0.00 O ATOM 1215 CB THR A 85 8.460 -9.673 -0.373 1.00 0.00 C ATOM 1216 OG1 THR A 85 7.170 -10.253 -0.201 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.844 -9.825 -1.838 1.00 0.00 C ATOM 0 H THR A 85 9.066 -12.290 -0.092 1.00 0.00 H new ATOM 0 HA THR A 85 10.385 -9.710 0.567 1.00 0.00 H new ATOM 0 HB THR A 85 8.433 -8.621 -0.090 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.989 -10.372 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.096 -9.336 -2.463 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.817 -9.364 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.894 -10.884 -2.093 1.00 0.00 H new ATOM 1225 N PRO A 86 9.933 -10.611 2.943 1.00 0.00 N ATOM 1226 CA PRO A 86 9.613 -10.898 4.345 1.00 0.00 C ATOM 1227 C PRO A 86 8.841 -9.768 5.009 1.00 0.00 C ATOM 1228 O PRO A 86 8.460 -9.855 6.176 1.00 0.00 O ATOM 1229 CB PRO A 86 10.994 -11.046 5.007 1.00 0.00 C ATOM 1230 CG PRO A 86 11.963 -11.182 3.891 1.00 0.00 C ATOM 1231 CD PRO A 86 11.376 -10.416 2.754 1.00 0.00 C ATOM 0 HA PRO A 86 8.977 -11.778 4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.227 -10.178 5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.024 -11.919 5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.939 -10.784 4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.109 -12.229 3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.650 -9.362 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.713 -10.799 1.791 1.00 0.00 H new ATOM 1239 N ASN A 87 8.602 -8.711 4.252 1.00 0.00 N ATOM 1240 CA ASN A 87 8.022 -7.501 4.790 1.00 0.00 C ATOM 1241 C ASN A 87 7.059 -6.898 3.788 1.00 0.00 C ATOM 1242 O ASN A 87 6.851 -7.451 2.712 1.00 0.00 O ATOM 1243 CB ASN A 87 9.125 -6.498 5.088 1.00 0.00 C ATOM 1244 CG ASN A 87 10.239 -7.075 5.930 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.322 -7.455 5.267 1.00 0.00 O flip ATOM 1246 ND2 ASN A 87 10.142 -7.153 7.153 1.00 0.00 N flip ATOM 0 H ASN A 87 8.805 -8.671 3.253 1.00 0.00 H new ATOM 0 HA ASN A 87 7.484 -7.743 5.707 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.540 -6.133 4.148 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.697 -5.638 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.287 -6.847 7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.917 -7.523 7.703 1.00 0.00 H new ATOM 1253 N ALA A 88 6.508 -5.746 4.125 1.00 0.00 N ATOM 1254 CA ALA A 88 5.600 -5.055 3.233 1.00 0.00 C ATOM 1255 C ALA A 88 5.736 -3.554 3.408 1.00 0.00 C ATOM 1256 O ALA A 88 6.050 -3.077 4.497 1.00 0.00 O ATOM 1257 CB ALA A 88 4.169 -5.491 3.504 1.00 0.00 C ATOM 0 H ALA A 88 6.675 -5.270 5.012 1.00 0.00 H new ATOM 0 HA ALA A 88 5.854 -5.310 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.494 -4.966 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.079 -6.565 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.906 -5.255 4.535 1.00 0.00 H new ATOM 1263 N TYR A 89 5.523 -2.819 2.327 1.00 0.00 N ATOM 1264 CA TYR A 89 5.477 -1.371 2.394 1.00 0.00 C ATOM 1265 C TYR A 89 4.118 -0.987 2.975 1.00 0.00 C ATOM 1266 O TYR A 89 3.088 -1.103 2.300 1.00 0.00 O ATOM 1267 CB TYR A 89 5.658 -0.725 1.002 1.00 0.00 C ATOM 1268 CG TYR A 89 6.880 -1.147 0.194 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.807 -2.066 0.656 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.101 -0.580 -1.057 1.00 0.00 C ATOM 1271 CE1 TYR A 89 8.911 -2.399 -0.104 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.192 -0.912 -1.821 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.097 -1.819 -1.346 1.00 0.00 C ATOM 1274 OH TYR A 89 10.194 -2.145 -2.108 1.00 0.00 O ATOM 0 H TYR A 89 5.379 -3.204 1.393 1.00 0.00 H new ATOM 0 HA TYR A 89 6.294 -1.009 3.018 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.769 -0.943 0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.696 0.356 1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.665 -2.528 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.394 0.142 -1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.629 -3.113 0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.334 -0.459 -2.791 1.00 0.00 H new ATOM 0 HH TYR A 89 10.959 -1.598 -1.831 1.00 0.00 H new ATOM 1284 N TYR A 90 4.123 -0.579 4.240 1.00 0.00 N ATOM 1285 CA TYR A 90 2.901 -0.322 5.005 1.00 0.00 C ATOM 1286 C TYR A 90 2.144 -1.621 5.279 1.00 0.00 C ATOM 1287 O TYR A 90 2.657 -2.508 5.962 1.00 0.00 O ATOM 1288 CB TYR A 90 1.994 0.728 4.336 1.00 0.00 C ATOM 1289 CG TYR A 90 1.536 1.792 5.308 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.657 1.495 6.344 1.00 0.00 C ATOM 1291 CD2 TYR A 90 2.008 3.087 5.206 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.258 2.467 7.243 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.622 4.062 6.100 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.747 3.751 7.117 1.00 0.00 C ATOM 1295 OH TYR A 90 0.360 4.724 8.008 1.00 0.00 O ATOM 0 H TYR A 90 4.979 -0.415 4.770 1.00 0.00 H new ATOM 0 HA TYR A 90 3.208 0.101 5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.532 1.198 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.124 0.232 3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.280 0.488 6.448 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.693 3.340 4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.431 2.223 8.038 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.005 5.067 6.003 1.00 0.00 H new ATOM 0 HH TYR A 90 0.797 5.571 7.778 1.00 0.00 H new ATOM 1305 N GLU A 91 0.947 -1.736 4.739 1.00 0.00 N ATOM 1306 CA GLU A 91 0.072 -2.864 5.060 1.00 0.00 C ATOM 1307 C GLU A 91 0.179 -3.982 4.023 1.00 0.00 C ATOM 1308 O GLU A 91 -0.423 -5.044 4.182 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.381 -2.395 5.140 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.543 -0.951 5.580 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.995 -0.569 5.754 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.666 -0.331 4.729 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.462 -0.507 6.910 1.00 0.00 O ATOM 0 H GLU A 91 0.552 -1.068 4.077 1.00 0.00 H new ATOM 0 HA GLU A 91 0.394 -3.259 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.846 -2.520 4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.921 -3.038 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.013 -0.797 6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.082 -0.294 4.843 1.00 0.00 H new ATOM 1320 N GLY A 92 0.957 -3.749 2.977 1.00 0.00 N ATOM 1321 CA GLY A 92 0.963 -4.650 1.837 1.00 0.00 C ATOM 1322 C GLY A 92 0.580 -3.907 0.582 1.00 0.00 C ATOM 1323 O GLY A 92 0.461 -4.489 -0.498 1.00 0.00 O ATOM 0 H GLY A 92 1.587 -2.951 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.952 -5.092 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.266 -5.470 2.009 1.00 0.00 H new ATOM 1327 N VAL A 93 0.373 -2.604 0.752 1.00 0.00 N ATOM 1328 CA VAL A 93 0.053 -1.707 -0.339 1.00 0.00 C ATOM 1329 C VAL A 93 1.149 -1.760 -1.400 1.00 0.00 C ATOM 1330 O VAL A 93 0.902 -1.582 -2.594 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.105 -0.258 0.196 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.623 0.661 -0.883 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.013 -0.212 1.420 1.00 0.00 C ATOM 0 H VAL A 93 0.425 -2.144 1.661 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.888 -2.021 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 93 0.883 0.089 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.725 1.670 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.076 0.671 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.595 0.307 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.102 0.817 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.000 -0.592 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.587 -0.828 2.212 1.00 0.00 H new ATOM 1343 N PHE A 94 2.366 -1.993 -0.936 1.00 0.00 N ATOM 1344 CA PHE A 94 3.502 -2.246 -1.800 1.00 0.00 C ATOM 1345 C PHE A 94 4.442 -3.224 -1.093 1.00 0.00 C ATOM 1346 O PHE A 94 4.338 -3.396 0.115 1.00 0.00 O ATOM 1347 CB PHE A 94 4.264 -0.957 -2.248 1.00 0.00 C ATOM 1348 CG PHE A 94 4.005 0.388 -1.547 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.041 0.582 -0.563 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.773 1.490 -1.917 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.853 1.818 0.028 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.586 2.726 -1.327 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.624 2.891 -0.356 1.00 0.00 C ATOM 0 H PHE A 94 2.592 -2.011 0.058 1.00 0.00 H new ATOM 0 HA PHE A 94 3.120 -2.678 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.330 -1.166 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.056 -0.812 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.426 -0.250 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.529 1.376 -2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.100 1.941 0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.196 3.565 -1.629 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.475 3.858 0.102 1.00 0.00 H new ATOM 1363 N CYS A 95 5.323 -3.905 -1.832 1.00 0.00 N ATOM 1364 CA CYS A 95 6.283 -4.837 -1.214 1.00 0.00 C ATOM 1365 C CYS A 95 7.625 -4.812 -1.962 1.00 0.00 C ATOM 1366 O CYS A 95 7.698 -4.332 -3.096 1.00 0.00 O ATOM 1367 CB CYS A 95 5.735 -6.278 -1.188 1.00 0.00 C ATOM 1368 SG CYS A 95 3.929 -6.412 -0.940 1.00 0.00 S ATOM 0 H CYS A 95 5.395 -3.833 -2.847 1.00 0.00 H new ATOM 0 HA CYS A 95 6.437 -4.507 -0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.995 -6.767 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.238 -6.828 -0.392 1.00 0.00 H new ATOM 1373 N SER A 96 8.685 -5.320 -1.315 1.00 0.00 N ATOM 1374 CA SER A 96 10.030 -5.310 -1.901 1.00 0.00 C ATOM 1375 C SER A 96 10.496 -6.716 -2.214 1.00 0.00 C ATOM 1376 O SER A 96 10.602 -7.546 -1.314 1.00 0.00 O ATOM 1377 CB SER A 96 11.043 -4.683 -0.942 1.00 0.00 C ATOM 1378 OG SER A 96 12.312 -4.508 -1.557 1.00 0.00 O ATOM 0 H SER A 96 8.635 -5.742 -0.388 1.00 0.00 H new ATOM 0 HA SER A 96 9.970 -4.723 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.669 -3.719 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.150 -5.316 -0.061 1.00 0.00 H new ATOM 0 HG SER A 96 12.933 -4.104 -0.916 1.00 0.00 H new ATOM 1384 N SER A 97 10.821 -6.964 -3.468 1.00 0.00 N ATOM 1385 CA SER A 97 11.307 -8.269 -3.870 1.00 0.00 C ATOM 1386 C SER A 97 12.801 -8.222 -4.159 1.00 0.00 C ATOM 1387 O SER A 97 13.246 -8.368 -5.300 1.00 0.00 O ATOM 1388 CB SER A 97 10.557 -8.758 -5.091 1.00 0.00 C ATOM 1389 OG SER A 97 9.156 -8.759 -4.866 1.00 0.00 O ATOM 0 H SER A 97 10.758 -6.282 -4.223 1.00 0.00 H new ATOM 0 HA SER A 97 11.135 -8.964 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.791 -8.121 -5.944 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.888 -9.765 -5.345 1.00 0.00 H new ATOM 0 HG SER A 97 8.696 -9.077 -5.670 1.00 0.00 H new ATOM 1395 N SER A 98 13.557 -7.989 -3.111 1.00 0.00 N ATOM 1396 CA SER A 98 15.015 -7.959 -3.179 1.00 0.00 C ATOM 1397 C SER A 98 15.599 -8.266 -1.807 1.00 0.00 C ATOM 1398 O SER A 98 16.668 -7.773 -1.448 1.00 0.00 O ATOM 1399 CB SER A 98 15.515 -6.589 -3.652 1.00 0.00 C ATOM 1400 OG SER A 98 14.991 -6.251 -4.925 1.00 0.00 O ATOM 0 H SER A 98 13.184 -7.813 -2.178 1.00 0.00 H new ATOM 0 HA SER A 98 15.339 -8.713 -3.897 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.229 -5.827 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.604 -6.594 -3.696 1.00 0.00 H new ATOM 0 HG SER A 98 15.329 -5.372 -5.195 1.00 0.00 H new ATOM 1406 N SER A 99 14.886 -9.072 -1.043 1.00 0.00 N ATOM 1407 CA SER A 99 15.276 -9.379 0.322 1.00 0.00 C ATOM 1408 C SER A 99 15.683 -10.843 0.459 1.00 0.00 C ATOM 1409 O SER A 99 14.803 -11.697 0.682 1.00 0.00 O ATOM 1410 CB SER A 99 14.121 -9.028 1.256 1.00 0.00 C ATOM 1411 OG SER A 99 12.903 -8.946 0.535 1.00 0.00 O ATOM 1412 OXT SER A 99 16.890 -11.133 0.304 1.00 0.00 O ATOM 0 H SER A 99 14.027 -9.530 -1.347 1.00 0.00 H new ATOM 0 HA SER A 99 16.147 -8.784 0.595 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.037 -9.782 2.038 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.322 -8.078 1.750 1.00 0.00 H new ATOM 0 HG SER A 99 12.738 -9.795 0.075 1.00 0.00 H new