USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 600 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 52 SER OG : rot 180:sc= 0.593 USER MOD Set 1.2: A 70 THR OG1 : rot 18:sc= 0.613 USER MOD Set 2.1: A 50 THR OG1 : rot 134:sc= 1.33 USER MOD Set 2.2: A 69 CYS SG : rot -80:sc= 0.549 USER MOD Set 3.1: A 59 ASN : amide:sc= -3.65! C(o=-3.9!,f=-4.1!) USER MOD Set 3.2: A 62 ASN :FLIP amide:sc= -0.248 F(o=-5,f=-3.9) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 30:sc= 0.0338 USER MOD Single : A 8 SER OG : rot 146:sc= 1.32 USER MOD Single : A 15 SER OG : rot 49:sc= 0.488 USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= -0.187 (180deg=-1.36) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -0.0158 (180deg=-0.172) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 113:sc= 0.685 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 42 SER OG : rot -38:sc= 0.056 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -6.43! C(o=-6.4!,f=-10!) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.292 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -166:sc= -0.0634 (180deg=-0.377) USER MOD Single : A 63 THR OG1 : rot -160:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.057 (180deg=-0.277) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.68 F(o=-7.5!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.484 -1.428 6.095 1.00 0.00 N ATOM 39 CA LYS A 3 -18.222 -0.848 5.672 1.00 0.00 C ATOM 40 C LYS A 3 -17.070 -1.622 6.298 1.00 0.00 C ATOM 41 O LYS A 3 -16.985 -1.741 7.521 1.00 0.00 O ATOM 42 CB LYS A 3 -18.158 0.626 6.077 1.00 0.00 C ATOM 43 CG LYS A 3 -19.321 1.445 5.546 1.00 0.00 C ATOM 44 CD LYS A 3 -19.237 2.894 5.991 1.00 0.00 C ATOM 45 CE LYS A 3 -20.430 3.687 5.491 1.00 0.00 C ATOM 46 NZ LYS A 3 -20.401 5.094 5.959 1.00 0.00 N ATOM 0 HA LYS A 3 -18.143 -0.910 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.139 0.696 7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.224 1.055 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.331 1.399 4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.259 1.012 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.194 2.942 7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.316 3.340 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.446 3.668 4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.350 3.211 5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.234 5.598 5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.412 5.114 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.537 5.557 5.613 1.00 0.00 H new ATOM 60 N ASP A 4 -16.194 -2.155 5.462 1.00 0.00 N ATOM 61 CA ASP A 4 -15.103 -2.998 5.932 1.00 0.00 C ATOM 62 C ASP A 4 -13.763 -2.447 5.462 1.00 0.00 C ATOM 63 O ASP A 4 -13.677 -1.835 4.399 1.00 0.00 O ATOM 64 CB ASP A 4 -15.299 -4.434 5.434 1.00 0.00 C ATOM 65 CG ASP A 4 -14.267 -5.396 5.985 1.00 0.00 C ATOM 66 OD1 ASP A 4 -13.906 -5.266 7.174 1.00 0.00 O ATOM 67 OD2 ASP A 4 -13.835 -6.303 5.241 1.00 0.00 O ATOM 0 H ASP A 4 -16.216 -2.019 4.451 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.106 -3.002 7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.295 -4.778 5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.253 -4.445 4.345 1.00 0.00 H new ATOM 72 N ILE A 5 -12.728 -2.649 6.265 1.00 0.00 N ATOM 73 CA ILE A 5 -11.399 -2.145 5.948 1.00 0.00 C ATOM 74 C ILE A 5 -10.849 -2.810 4.691 1.00 0.00 C ATOM 75 O ILE A 5 -10.684 -4.029 4.637 1.00 0.00 O ATOM 76 CB ILE A 5 -10.413 -2.360 7.120 1.00 0.00 C ATOM 77 CG1 ILE A 5 -10.853 -1.549 8.344 1.00 0.00 C ATOM 78 CG2 ILE A 5 -8.993 -1.980 6.713 1.00 0.00 C ATOM 79 CD1 ILE A 5 -10.861 -0.051 8.112 1.00 0.00 C ATOM 0 H ILE A 5 -12.784 -3.161 7.145 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.499 -1.074 5.772 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.420 -3.418 7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -11.853 -1.867 8.639 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.187 -1.775 9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.318 -2.140 7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.678 -2.598 5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.967 -0.930 6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.183 0.456 9.022 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.857 0.281 7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.549 0.188 7.301 1.00 0.00 H new ATOM 91 N PHE A 6 -10.569 -1.992 3.691 1.00 0.00 N ATOM 92 CA PHE A 6 -10.039 -2.468 2.429 1.00 0.00 C ATOM 93 C PHE A 6 -8.551 -2.763 2.566 1.00 0.00 C ATOM 94 O PHE A 6 -7.718 -1.861 2.502 1.00 0.00 O ATOM 95 CB PHE A 6 -10.281 -1.426 1.331 1.00 0.00 C ATOM 96 CG PHE A 6 -9.745 -1.807 -0.022 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.436 -2.695 -0.827 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.553 -1.271 -0.488 1.00 0.00 C ATOM 99 CE1 PHE A 6 -9.951 -3.045 -2.071 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.063 -1.618 -1.732 1.00 0.00 C ATOM 101 CZ PHE A 6 -8.762 -2.507 -2.524 1.00 0.00 C ATOM 0 H PHE A 6 -10.703 -0.982 3.733 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.552 -3.389 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.353 -1.249 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.826 -0.484 1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.366 -3.119 -0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.003 -0.575 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.501 -3.739 -2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.134 -1.194 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.380 -2.781 -3.496 1.00 0.00 H new ATOM 111 N THR A 7 -8.229 -4.020 2.813 1.00 0.00 N ATOM 112 CA THR A 7 -6.849 -4.451 2.852 1.00 0.00 C ATOM 113 C THR A 7 -6.521 -5.246 1.592 1.00 0.00 C ATOM 114 O THR A 7 -7.216 -6.207 1.255 1.00 0.00 O ATOM 115 CB THR A 7 -6.559 -5.306 4.104 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.584 -6.295 4.279 1.00 0.00 O ATOM 117 CG2 THR A 7 -6.473 -4.434 5.346 1.00 0.00 C ATOM 0 H THR A 7 -8.909 -4.760 2.990 1.00 0.00 H new ATOM 0 HA THR A 7 -6.219 -3.563 2.900 1.00 0.00 H new ATOM 0 HB THR A 7 -5.600 -5.803 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.948 -6.548 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.268 -5.058 6.216 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.671 -3.706 5.225 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.419 -3.911 5.490 1.00 0.00 H new ATOM 125 N SER A 8 -5.490 -4.832 0.877 1.00 0.00 N ATOM 126 CA SER A 8 -5.116 -5.481 -0.371 1.00 0.00 C ATOM 127 C SER A 8 -3.613 -5.368 -0.598 1.00 0.00 C ATOM 128 O SER A 8 -2.878 -4.983 0.303 1.00 0.00 O ATOM 129 CB SER A 8 -5.885 -4.854 -1.537 1.00 0.00 C ATOM 130 OG SER A 8 -7.283 -5.015 -1.367 1.00 0.00 O ATOM 0 H SER A 8 -4.894 -4.047 1.139 1.00 0.00 H new ATOM 0 HA SER A 8 -5.374 -6.538 -0.311 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.643 -3.794 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.573 -5.316 -2.474 1.00 0.00 H new ATOM 0 HG SER A 8 -7.749 -4.231 -1.726 1.00 0.00 H new ATOM 136 N VAL A 9 -3.163 -5.713 -1.793 1.00 0.00 N ATOM 137 CA VAL A 9 -1.748 -5.651 -2.117 1.00 0.00 C ATOM 138 C VAL A 9 -1.528 -4.785 -3.356 1.00 0.00 C ATOM 139 O VAL A 9 -2.309 -4.842 -4.307 1.00 0.00 O ATOM 140 CB VAL A 9 -1.159 -7.068 -2.334 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.878 -7.798 -3.463 1.00 0.00 C ATOM 142 CG2 VAL A 9 0.337 -6.997 -2.602 1.00 0.00 C ATOM 0 H VAL A 9 -3.758 -6.039 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.227 -5.199 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.314 -7.637 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.442 -8.789 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.936 -7.896 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.771 -7.232 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.728 -8.003 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.519 -6.401 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.838 -6.536 -1.751 1.00 0.00 H new ATOM 152 N VAL A 10 -0.489 -3.967 -3.326 1.00 0.00 N ATOM 153 CA VAL A 10 -0.173 -3.091 -4.443 1.00 0.00 C ATOM 154 C VAL A 10 1.253 -3.357 -4.925 1.00 0.00 C ATOM 155 O VAL A 10 2.073 -3.903 -4.183 1.00 0.00 O ATOM 156 CB VAL A 10 -0.338 -1.599 -4.050 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.761 -1.152 -3.096 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.384 -0.706 -5.281 1.00 0.00 C ATOM 0 H VAL A 10 0.153 -3.891 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.871 -3.303 -5.252 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.291 -1.502 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.616 -0.102 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.723 -1.755 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.732 -1.278 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.500 0.333 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.542 -0.816 -5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.227 -0.995 -5.909 1.00 0.00 H new ATOM 168 N ARG A 11 1.537 -2.996 -6.169 1.00 0.00 N ATOM 169 CA ARG A 11 2.862 -3.195 -6.738 1.00 0.00 C ATOM 170 C ARG A 11 3.817 -2.106 -6.276 1.00 0.00 C ATOM 171 O ARG A 11 3.487 -0.920 -6.314 1.00 0.00 O ATOM 172 CB ARG A 11 2.798 -3.201 -8.264 1.00 0.00 C ATOM 173 CG ARG A 11 2.091 -4.408 -8.855 1.00 0.00 C ATOM 174 CD ARG A 11 2.778 -5.708 -8.463 1.00 0.00 C ATOM 175 NE ARG A 11 4.218 -5.687 -8.739 1.00 0.00 N ATOM 176 CZ ARG A 11 4.790 -6.287 -9.787 1.00 0.00 C ATOM 177 NH1 ARG A 11 4.043 -6.873 -10.713 1.00 0.00 N ATOM 178 NH2 ARG A 11 6.112 -6.281 -9.918 1.00 0.00 N ATOM 0 H ARG A 11 0.866 -2.563 -6.804 1.00 0.00 H new ATOM 0 HA ARG A 11 3.230 -4.161 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.289 -2.297 -8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.813 -3.160 -8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.056 -4.426 -8.515 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.068 -4.321 -9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.617 -5.894 -7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.319 -6.535 -9.005 1.00 0.00 H new ATOM 0 HE ARG A 11 4.821 -5.182 -8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.027 -6.867 -10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.485 -7.330 -11.511 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.692 -5.818 -9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.547 -6.739 -10.718 1.00 0.00 H new ATOM 192 N VAL A 12 5.002 -2.513 -5.847 1.00 0.00 N ATOM 193 CA VAL A 12 5.996 -1.573 -5.367 1.00 0.00 C ATOM 194 C VAL A 12 7.270 -1.667 -6.197 1.00 0.00 C ATOM 195 O VAL A 12 7.707 -2.754 -6.577 1.00 0.00 O ATOM 196 CB VAL A 12 6.343 -1.810 -3.884 1.00 0.00 C ATOM 197 CG1 VAL A 12 6.995 -0.578 -3.285 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.109 -2.192 -3.095 1.00 0.00 C ATOM 0 H VAL A 12 5.296 -3.489 -5.823 1.00 0.00 H new ATOM 0 HA VAL A 12 5.563 -0.578 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 12 7.051 -2.637 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.233 -0.765 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.911 -0.350 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.310 0.267 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.380 -2.354 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.374 -1.390 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.684 -3.108 -3.506 1.00 0.00 H new ATOM 208 N ARG A 13 7.840 -0.515 -6.488 1.00 0.00 N ATOM 209 CA ARG A 13 9.067 -0.415 -7.253 1.00 0.00 C ATOM 210 C ARG A 13 10.139 0.267 -6.394 1.00 0.00 C ATOM 211 O ARG A 13 9.840 0.753 -5.300 1.00 0.00 O ATOM 212 CB ARG A 13 8.771 0.388 -8.529 1.00 0.00 C ATOM 213 CG ARG A 13 9.938 0.538 -9.486 1.00 0.00 C ATOM 214 CD ARG A 13 9.546 1.373 -10.694 1.00 0.00 C ATOM 215 NE ARG A 13 10.709 1.810 -11.457 1.00 0.00 N ATOM 216 CZ ARG A 13 11.308 2.991 -11.289 1.00 0.00 C ATOM 217 NH1 ARG A 13 10.816 3.877 -10.430 1.00 0.00 N ATOM 218 NH2 ARG A 13 12.384 3.296 -11.999 1.00 0.00 N ATOM 0 H ARG A 13 7.461 0.386 -6.198 1.00 0.00 H new ATOM 0 HA ARG A 13 9.440 -1.400 -7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.948 -0.093 -9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.428 1.382 -8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.777 1.007 -8.972 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.274 -0.446 -9.813 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.887 0.791 -11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.981 2.245 -10.364 1.00 0.00 H new ATOM 0 HE ARG A 13 11.087 1.176 -12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.976 3.656 -9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.278 4.778 -10.306 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.755 2.628 -12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.841 4.199 -11.870 1.00 0.00 H new ATOM 232 N GLY A 14 11.383 0.278 -6.846 1.00 0.00 N ATOM 233 CA GLY A 14 12.424 0.975 -6.112 1.00 0.00 C ATOM 234 C GLY A 14 13.484 0.039 -5.575 1.00 0.00 C ATOM 235 O GLY A 14 13.349 -1.179 -5.677 1.00 0.00 O ATOM 0 H GLY A 14 11.692 -0.180 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.892 1.712 -6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.975 1.523 -5.284 1.00 0.00 H new ATOM 239 N SER A 15 14.531 0.613 -4.992 1.00 0.00 N ATOM 240 CA SER A 15 15.664 -0.161 -4.497 1.00 0.00 C ATOM 241 C SER A 15 15.317 -0.943 -3.228 1.00 0.00 C ATOM 242 O SER A 15 15.500 -0.446 -2.114 1.00 0.00 O ATOM 243 CB SER A 15 16.849 0.773 -4.232 1.00 0.00 C ATOM 244 OG SER A 15 16.473 1.824 -3.355 1.00 0.00 O ATOM 0 H SER A 15 14.618 1.619 -4.850 1.00 0.00 H new ATOM 0 HA SER A 15 15.930 -0.889 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.674 0.208 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.208 1.189 -5.173 1.00 0.00 H new ATOM 0 HG SER A 15 16.004 1.451 -2.579 1.00 0.00 H new ATOM 250 N LYS A 16 14.770 -2.143 -3.419 1.00 0.00 N ATOM 251 CA LYS A 16 14.537 -3.100 -2.336 1.00 0.00 C ATOM 252 C LYS A 16 13.942 -4.389 -2.896 1.00 0.00 C ATOM 253 O LYS A 16 13.450 -4.413 -4.025 1.00 0.00 O ATOM 254 CB LYS A 16 13.655 -2.523 -1.207 1.00 0.00 C ATOM 255 CG LYS A 16 12.471 -1.670 -1.648 1.00 0.00 C ATOM 256 CD LYS A 16 11.386 -2.473 -2.337 1.00 0.00 C ATOM 257 CE LYS A 16 10.067 -1.721 -2.319 1.00 0.00 C ATOM 258 NZ LYS A 16 10.202 -0.334 -2.839 1.00 0.00 N ATOM 0 H LYS A 16 14.474 -2.481 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 16 15.504 -3.320 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.276 -3.353 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.286 -1.921 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.047 -1.169 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.823 -0.891 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.678 -2.680 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.268 -3.436 -1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.335 -2.262 -2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.683 -1.689 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.449 0.262 -2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.129 0.050 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.122 -0.343 -3.876 1.00 0.00 H new ATOM 272 N LYS A 17 13.981 -5.450 -2.101 1.00 0.00 N ATOM 273 CA LYS A 17 13.592 -6.780 -2.567 1.00 0.00 C ATOM 274 C LYS A 17 12.110 -7.067 -2.311 1.00 0.00 C ATOM 275 O LYS A 17 11.722 -8.210 -2.060 1.00 0.00 O ATOM 276 CB LYS A 17 14.458 -7.836 -1.878 1.00 0.00 C ATOM 277 CG LYS A 17 15.947 -7.644 -2.116 1.00 0.00 C ATOM 278 CD LYS A 17 16.774 -8.682 -1.374 1.00 0.00 C ATOM 279 CE LYS A 17 18.267 -8.450 -1.562 1.00 0.00 C ATOM 280 NZ LYS A 17 18.663 -8.482 -2.994 1.00 0.00 N ATOM 0 H LYS A 17 14.279 -5.418 -1.126 1.00 0.00 H new ATOM 0 HA LYS A 17 13.748 -6.817 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.263 -7.812 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.165 -8.824 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 17 16.156 -7.708 -3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.241 -6.645 -1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.531 -8.649 -0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.513 -9.678 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 17 18.540 -7.486 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.823 -9.212 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.700 -8.507 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.264 -9.329 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.303 -7.632 -3.473 1.00 0.00 H new ATOM 294 N TYR A 18 11.281 -6.038 -2.404 1.00 0.00 N ATOM 295 CA TYR A 18 9.847 -6.190 -2.189 1.00 0.00 C ATOM 296 C TYR A 18 9.070 -5.544 -3.329 1.00 0.00 C ATOM 297 O TYR A 18 8.949 -4.321 -3.396 1.00 0.00 O ATOM 298 CB TYR A 18 9.427 -5.580 -0.849 1.00 0.00 C ATOM 299 CG TYR A 18 10.085 -6.234 0.347 1.00 0.00 C ATOM 300 CD1 TYR A 18 9.589 -7.418 0.878 1.00 0.00 C ATOM 301 CD2 TYR A 18 11.208 -5.670 0.939 1.00 0.00 C ATOM 302 CE1 TYR A 18 10.191 -8.020 1.969 1.00 0.00 C ATOM 303 CE2 TYR A 18 11.816 -6.266 2.027 1.00 0.00 C ATOM 304 CZ TYR A 18 11.304 -7.439 2.539 1.00 0.00 C ATOM 305 OH TYR A 18 11.909 -8.033 3.624 1.00 0.00 O ATOM 0 H TYR A 18 11.576 -5.087 -2.627 1.00 0.00 H new ATOM 0 HA TYR A 18 9.618 -7.255 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.670 -4.517 -0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.345 -5.659 -0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.719 -7.876 0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.612 -4.751 0.542 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.792 -8.939 2.371 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.689 -5.815 2.475 1.00 0.00 H new ATOM 0 HH TYR A 18 12.680 -7.496 3.903 1.00 0.00 H new ATOM 315 N ASN A 19 8.564 -6.371 -4.230 1.00 0.00 N ATOM 316 CA ASN A 19 7.856 -5.884 -5.411 1.00 0.00 C ATOM 317 C ASN A 19 6.365 -5.718 -5.141 1.00 0.00 C ATOM 318 O ASN A 19 5.626 -5.199 -5.983 1.00 0.00 O ATOM 319 CB ASN A 19 8.071 -6.837 -6.589 1.00 0.00 C ATOM 320 CG ASN A 19 9.456 -6.712 -7.199 1.00 0.00 C ATOM 321 OD1 ASN A 19 10.410 -6.312 -6.531 1.00 0.00 O ATOM 322 ND2 ASN A 19 9.587 -7.085 -8.462 1.00 0.00 N ATOM 0 H ASN A 19 8.629 -7.387 -4.169 1.00 0.00 H new ATOM 0 HA ASN A 19 8.264 -4.905 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.917 -7.863 -6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.322 -6.636 -7.355 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.501 -7.046 -8.913 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.774 -7.411 -8.984 1.00 0.00 H new ATOM 329 N VAL A 20 5.927 -6.164 -3.972 1.00 0.00 N ATOM 330 CA VAL A 20 4.531 -6.041 -3.567 1.00 0.00 C ATOM 331 C VAL A 20 4.433 -5.697 -2.084 1.00 0.00 C ATOM 332 O VAL A 20 5.245 -6.158 -1.277 1.00 0.00 O ATOM 333 CB VAL A 20 3.726 -7.337 -3.836 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.523 -7.554 -5.328 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.416 -8.542 -3.212 1.00 0.00 C ATOM 0 H VAL A 20 6.524 -6.619 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 20 4.101 -5.239 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 20 2.746 -7.223 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.955 -8.470 -5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.976 -6.710 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.493 -7.637 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.833 -9.440 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.412 -8.653 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.498 -8.397 -2.135 1.00 0.00 H new ATOM 345 N VAL A 21 3.456 -4.871 -1.729 1.00 0.00 N ATOM 346 CA VAL A 21 3.231 -4.526 -0.333 1.00 0.00 C ATOM 347 C VAL A 21 1.731 -4.455 -0.035 1.00 0.00 C ATOM 348 O VAL A 21 0.944 -3.984 -0.862 1.00 0.00 O ATOM 349 CB VAL A 21 3.921 -3.187 0.038 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.100 -1.982 -0.408 1.00 0.00 C ATOM 351 CG2 VAL A 21 4.213 -3.124 1.526 1.00 0.00 C ATOM 0 H VAL A 21 2.811 -4.431 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 21 3.675 -5.311 0.280 1.00 0.00 H new ATOM 0 HB VAL A 21 4.868 -3.149 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.619 -1.065 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.970 -2.011 -1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.123 -2.008 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.697 -2.176 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.280 -3.204 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.872 -3.947 1.803 1.00 0.00 H new ATOM 361 N PRO A 22 1.306 -4.988 1.123 1.00 0.00 N ATOM 362 CA PRO A 22 -0.084 -4.891 1.574 1.00 0.00 C ATOM 363 C PRO A 22 -0.449 -3.486 2.050 1.00 0.00 C ATOM 364 O PRO A 22 0.254 -2.881 2.867 1.00 0.00 O ATOM 365 CB PRO A 22 -0.157 -5.885 2.736 1.00 0.00 C ATOM 366 CG PRO A 22 1.238 -5.975 3.248 1.00 0.00 C ATOM 367 CD PRO A 22 2.136 -5.766 2.059 1.00 0.00 C ATOM 0 HA PRO A 22 -0.785 -5.107 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.841 -5.538 3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.519 -6.857 2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.422 -5.220 4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.422 -6.946 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.043 -5.227 2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.449 -6.715 1.623 1.00 0.00 H new ATOM 375 N VAL A 23 -1.553 -2.974 1.530 1.00 0.00 N ATOM 376 CA VAL A 23 -2.058 -1.668 1.913 1.00 0.00 C ATOM 377 C VAL A 23 -3.410 -1.805 2.602 1.00 0.00 C ATOM 378 O VAL A 23 -4.081 -2.832 2.479 1.00 0.00 O ATOM 379 CB VAL A 23 -2.205 -0.729 0.694 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.847 -0.408 0.094 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.118 -1.341 -0.359 1.00 0.00 C ATOM 0 H VAL A 23 -2.122 -3.452 0.832 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.332 -1.231 2.599 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.658 0.200 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.975 0.254 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.225 0.083 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.365 -1.331 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.204 -0.660 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.699 -2.289 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.105 -1.513 0.071 1.00 0.00 H new ATOM 391 N LYS A 24 -3.801 -0.771 3.325 1.00 0.00 N ATOM 392 CA LYS A 24 -5.068 -0.767 4.036 1.00 0.00 C ATOM 393 C LYS A 24 -5.832 0.522 3.757 1.00 0.00 C ATOM 394 O LYS A 24 -5.318 1.438 3.109 1.00 0.00 O ATOM 395 CB LYS A 24 -4.844 -0.910 5.546 1.00 0.00 C ATOM 396 CG LYS A 24 -3.903 0.139 6.116 1.00 0.00 C ATOM 397 CD LYS A 24 -4.031 0.274 7.625 1.00 0.00 C ATOM 398 CE LYS A 24 -3.626 -0.993 8.358 1.00 0.00 C ATOM 399 NZ LYS A 24 -3.658 -0.800 9.832 1.00 0.00 N ATOM 0 H LYS A 24 -3.255 0.083 3.436 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.653 -1.616 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.805 -0.842 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.441 -1.901 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.876 -0.123 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.111 1.102 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.410 1.102 7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.062 0.523 7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.297 -1.806 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.623 -1.289 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.376 -1.683 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.999 -0.040 10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.621 -0.541 10.127 1.00 0.00 H new ATOM 413 N SER A 25 -7.047 0.592 4.269 1.00 0.00 N ATOM 414 CA SER A 25 -7.872 1.781 4.132 1.00 0.00 C ATOM 415 C SER A 25 -7.997 2.494 5.473 1.00 0.00 C ATOM 416 O SER A 25 -8.277 1.861 6.496 1.00 0.00 O ATOM 417 CB SER A 25 -9.258 1.389 3.621 1.00 0.00 C ATOM 418 OG SER A 25 -9.893 0.495 4.517 1.00 0.00 O ATOM 0 H SER A 25 -7.488 -0.167 4.788 1.00 0.00 H new ATOM 0 HA SER A 25 -7.402 2.458 3.418 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.870 2.282 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.170 0.924 2.639 1.00 0.00 H new ATOM 0 HG SER A 25 -10.671 0.934 4.921 1.00 0.00 H new ATOM 424 N ASN A 26 -7.761 3.802 5.467 1.00 0.00 N ATOM 425 CA ASN A 26 -7.885 4.625 6.670 1.00 0.00 C ATOM 426 C ASN A 26 -9.273 4.494 7.293 1.00 0.00 C ATOM 427 O ASN A 26 -9.407 4.323 8.505 1.00 0.00 O ATOM 428 CB ASN A 26 -7.584 6.093 6.335 1.00 0.00 C ATOM 429 CG ASN A 26 -7.915 7.048 7.468 1.00 0.00 C ATOM 430 OD1 ASN A 26 -7.121 7.237 8.392 1.00 0.00 O ATOM 431 ND2 ASN A 26 -9.073 7.684 7.384 1.00 0.00 N ATOM 0 H ASN A 26 -7.480 4.321 4.635 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.159 4.269 7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.528 6.192 6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.151 6.380 5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.337 8.360 8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.701 7.498 6.602 1.00 0.00 H new ATOM 438 N LYS A 27 -10.298 4.545 6.457 1.00 0.00 N ATOM 439 CA LYS A 27 -11.673 4.457 6.925 1.00 0.00 C ATOM 440 C LYS A 27 -12.364 3.264 6.272 1.00 0.00 C ATOM 441 O LYS A 27 -12.110 2.972 5.104 1.00 0.00 O ATOM 442 CB LYS A 27 -12.417 5.763 6.609 1.00 0.00 C ATOM 443 CG LYS A 27 -13.872 5.780 7.059 1.00 0.00 C ATOM 444 CD LYS A 27 -14.473 7.177 6.989 1.00 0.00 C ATOM 445 CE LYS A 27 -14.424 7.747 5.582 1.00 0.00 C ATOM 446 NZ LYS A 27 -15.002 9.115 5.521 1.00 0.00 N ATOM 0 H LYS A 27 -10.203 4.647 5.447 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.682 4.311 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.892 6.591 7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.379 5.938 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.453 5.103 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.940 5.407 8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -15.507 7.144 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.934 7.838 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.391 7.773 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.970 7.091 4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.951 9.470 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.995 9.086 5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.465 9.747 6.148 1.00 0.00 H new ATOM 460 N PRO A 28 -13.205 2.536 7.036 1.00 0.00 N ATOM 461 CA PRO A 28 -13.958 1.384 6.525 1.00 0.00 C ATOM 462 C PRO A 28 -14.644 1.669 5.190 1.00 0.00 C ATOM 463 O PRO A 28 -15.334 2.681 5.029 1.00 0.00 O ATOM 464 CB PRO A 28 -14.994 1.133 7.620 1.00 0.00 C ATOM 465 CG PRO A 28 -14.339 1.606 8.869 1.00 0.00 C ATOM 466 CD PRO A 28 -13.473 2.769 8.470 1.00 0.00 C ATOM 0 HA PRO A 28 -13.309 0.532 6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.917 1.678 7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.255 0.077 7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.081 1.908 9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.743 0.813 9.321 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.981 3.720 8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.550 2.798 9.050 1.00 0.00 H new ATOM 474 N VAL A 29 -14.451 0.765 4.243 1.00 0.00 N ATOM 475 CA VAL A 29 -14.951 0.942 2.891 1.00 0.00 C ATOM 476 C VAL A 29 -16.227 0.140 2.681 1.00 0.00 C ATOM 477 O VAL A 29 -16.260 -1.064 2.952 1.00 0.00 O ATOM 478 CB VAL A 29 -13.904 0.495 1.853 1.00 0.00 C ATOM 479 CG1 VAL A 29 -14.305 0.932 0.453 1.00 0.00 C ATOM 480 CG2 VAL A 29 -12.533 1.032 2.225 1.00 0.00 C ATOM 0 H VAL A 29 -13.945 -0.109 4.390 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.160 2.003 2.756 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.857 -0.594 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.549 0.604 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.266 0.487 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.388 2.018 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.802 0.709 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.564 2.121 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.247 0.652 3.206 1.00 0.00 H new ATOM 490 N GLU A 30 -17.270 0.813 2.211 1.00 0.00 N ATOM 491 CA GLU A 30 -18.537 0.158 1.901 1.00 0.00 C ATOM 492 C GLU A 30 -18.305 -1.032 0.976 1.00 0.00 C ATOM 493 O GLU A 30 -17.536 -0.938 0.011 1.00 0.00 O ATOM 494 CB GLU A 30 -19.501 1.146 1.236 1.00 0.00 C ATOM 495 CG GLU A 30 -19.724 2.418 2.036 1.00 0.00 C ATOM 496 CD GLU A 30 -20.725 3.344 1.383 1.00 0.00 C ATOM 497 OE1 GLU A 30 -20.409 3.904 0.311 1.00 0.00 O ATOM 498 OE2 GLU A 30 -21.834 3.504 1.931 1.00 0.00 O ATOM 0 H GLU A 30 -17.264 1.818 2.035 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.977 -0.195 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.114 1.410 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.461 0.653 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.072 2.158 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -18.775 2.940 2.155 1.00 0.00 H new ATOM 505 N ILE A 31 -18.951 -2.152 1.282 1.00 0.00 N ATOM 506 CA ILE A 31 -18.795 -3.367 0.496 1.00 0.00 C ATOM 507 C ILE A 31 -19.412 -3.199 -0.899 1.00 0.00 C ATOM 508 O ILE A 31 -20.549 -3.591 -1.162 1.00 0.00 O ATOM 509 CB ILE A 31 -19.376 -4.606 1.233 1.00 0.00 C ATOM 510 CG1 ILE A 31 -19.246 -5.870 0.375 1.00 0.00 C ATOM 511 CG2 ILE A 31 -20.823 -4.379 1.653 1.00 0.00 C ATOM 512 CD1 ILE A 31 -17.813 -6.267 0.089 1.00 0.00 C ATOM 0 H ILE A 31 -19.590 -2.242 2.072 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.727 -3.545 0.369 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.789 -4.752 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.748 -6.695 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.765 -5.712 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -21.197 -5.266 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -20.877 -3.522 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -21.432 -4.187 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.801 -7.169 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.311 -5.460 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.294 -6.458 1.028 1.00 0.00 H new ATOM 524 N SER A 32 -18.637 -2.568 -1.773 1.00 0.00 N ATOM 525 CA SER A 32 -19.049 -2.271 -3.135 1.00 0.00 C ATOM 526 C SER A 32 -17.918 -1.540 -3.854 1.00 0.00 C ATOM 527 O SER A 32 -17.610 -1.826 -5.009 1.00 0.00 O ATOM 528 CB SER A 32 -20.321 -1.409 -3.134 1.00 0.00 C ATOM 529 OG SER A 32 -20.739 -1.080 -4.451 1.00 0.00 O ATOM 0 H SER A 32 -17.695 -2.246 -1.551 1.00 0.00 H new ATOM 0 HA SER A 32 -19.268 -3.203 -3.656 1.00 0.00 H new ATOM 0 HB2 SER A 32 -21.121 -1.943 -2.622 1.00 0.00 H new ATOM 0 HB3 SER A 32 -20.139 -0.493 -2.572 1.00 0.00 H new ATOM 0 HG SER A 32 -21.551 -0.533 -4.409 1.00 0.00 H new ATOM 535 N LYS A 33 -17.273 -0.618 -3.141 1.00 0.00 N ATOM 536 CA LYS A 33 -16.193 0.185 -3.712 1.00 0.00 C ATOM 537 C LYS A 33 -14.893 -0.606 -3.782 1.00 0.00 C ATOM 538 O LYS A 33 -13.899 -0.137 -4.335 1.00 0.00 O ATOM 539 CB LYS A 33 -15.983 1.456 -2.885 1.00 0.00 C ATOM 540 CG LYS A 33 -17.123 2.454 -2.994 1.00 0.00 C ATOM 541 CD LYS A 33 -17.292 2.938 -4.424 1.00 0.00 C ATOM 542 CE LYS A 33 -18.417 3.952 -4.543 1.00 0.00 C ATOM 543 NZ LYS A 33 -18.604 4.402 -5.946 1.00 0.00 N ATOM 0 H LYS A 33 -17.480 -0.408 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.482 0.458 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.853 1.180 -1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.059 1.938 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.049 1.992 -2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.930 3.304 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.360 3.386 -4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.498 2.088 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.344 3.512 -4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.200 4.813 -3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.380 5.093 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.727 4.844 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.836 3.584 -6.545 1.00 0.00 H new ATOM 557 N TRP A 34 -14.910 -1.811 -3.225 1.00 0.00 N ATOM 558 CA TRP A 34 -13.740 -2.682 -3.229 1.00 0.00 C ATOM 559 C TRP A 34 -13.260 -2.957 -4.653 1.00 0.00 C ATOM 560 O TRP A 34 -12.061 -3.072 -4.902 1.00 0.00 O ATOM 561 CB TRP A 34 -14.057 -3.998 -2.514 1.00 0.00 C ATOM 562 CG TRP A 34 -14.157 -3.857 -1.026 1.00 0.00 C ATOM 563 CD1 TRP A 34 -15.030 -3.071 -0.327 1.00 0.00 C ATOM 564 CD2 TRP A 34 -13.353 -4.528 -0.053 1.00 0.00 C ATOM 565 NE1 TRP A 34 -14.808 -3.205 1.021 1.00 0.00 N ATOM 566 CE2 TRP A 34 -13.783 -4.094 1.215 1.00 0.00 C ATOM 567 CE3 TRP A 34 -12.304 -5.450 -0.130 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -13.206 -4.555 2.391 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -11.731 -5.906 1.040 1.00 0.00 C ATOM 570 CH2 TRP A 34 -12.184 -5.457 2.286 1.00 0.00 C ATOM 0 H TRP A 34 -15.727 -2.210 -2.762 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.938 -2.171 -2.696 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.997 -4.394 -2.898 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -13.283 -4.728 -2.751 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.784 -2.437 -0.770 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -15.322 -2.722 1.758 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -11.949 -5.799 -1.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -13.553 -4.213 3.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -10.922 -6.619 0.993 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -11.716 -5.831 3.184 1.00 0.00 H new ATOM 581 N ILE A 35 -14.208 -3.037 -5.582 1.00 0.00 N ATOM 582 CA ILE A 35 -13.890 -3.281 -6.984 1.00 0.00 C ATOM 583 C ILE A 35 -13.079 -2.123 -7.562 1.00 0.00 C ATOM 584 O ILE A 35 -11.981 -2.326 -8.073 1.00 0.00 O ATOM 585 CB ILE A 35 -15.169 -3.485 -7.826 1.00 0.00 C ATOM 586 CG1 ILE A 35 -16.003 -4.638 -7.254 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.813 -3.753 -9.285 1.00 0.00 C ATOM 588 CD1 ILE A 35 -17.312 -4.869 -7.983 1.00 0.00 C ATOM 0 H ILE A 35 -15.204 -2.936 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.297 -4.195 -7.028 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.763 -2.572 -7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.412 -5.553 -7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.214 -4.435 -6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.727 -3.894 -9.862 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.258 -2.905 -9.686 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.200 -4.652 -9.351 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -17.844 -5.700 -7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.924 -3.969 -7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -17.110 -5.105 -9.028 1.00 0.00 H new ATOM 600 N ASP A 36 -13.616 -0.910 -7.445 1.00 0.00 N ATOM 601 CA ASP A 36 -12.967 0.284 -7.993 1.00 0.00 C ATOM 602 C ASP A 36 -11.612 0.524 -7.328 1.00 0.00 C ATOM 603 O ASP A 36 -10.655 0.934 -7.981 1.00 0.00 O ATOM 604 CB ASP A 36 -13.846 1.522 -7.780 1.00 0.00 C ATOM 605 CG ASP A 36 -15.244 1.377 -8.350 1.00 0.00 C ATOM 606 OD1 ASP A 36 -16.135 0.879 -7.628 1.00 0.00 O ATOM 607 OD2 ASP A 36 -15.465 1.776 -9.515 1.00 0.00 O ATOM 0 H ASP A 36 -14.502 -0.726 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.821 0.116 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.917 1.728 -6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.363 2.384 -8.239 1.00 0.00 H new ATOM 612 N PHE A 37 -11.537 0.270 -6.026 1.00 0.00 N ATOM 613 CA PHE A 37 -10.299 0.475 -5.276 1.00 0.00 C ATOM 614 C PHE A 37 -9.193 -0.457 -5.768 1.00 0.00 C ATOM 615 O PHE A 37 -8.091 -0.004 -6.086 1.00 0.00 O ATOM 616 CB PHE A 37 -10.533 0.277 -3.775 1.00 0.00 C ATOM 617 CG PHE A 37 -11.124 1.478 -3.086 1.00 0.00 C ATOM 618 CD1 PHE A 37 -12.014 2.312 -3.745 1.00 0.00 C ATOM 619 CD2 PHE A 37 -10.784 1.771 -1.775 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.553 3.413 -3.111 1.00 0.00 C ATOM 621 CE2 PHE A 37 -11.321 2.872 -1.135 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.205 3.694 -1.805 1.00 0.00 C ATOM 0 H PHE A 37 -12.316 -0.078 -5.467 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.977 1.503 -5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.196 -0.576 -3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.585 0.028 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.289 2.097 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.092 1.132 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.246 4.054 -3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.050 3.089 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.624 4.556 -1.308 1.00 0.00 H new ATOM 632 N SER A 38 -9.489 -1.751 -5.846 1.00 0.00 N ATOM 633 CA SER A 38 -8.520 -2.721 -6.346 1.00 0.00 C ATOM 634 C SER A 38 -8.223 -2.438 -7.817 1.00 0.00 C ATOM 635 O SER A 38 -7.113 -2.666 -8.302 1.00 0.00 O ATOM 636 CB SER A 38 -9.052 -4.150 -6.170 1.00 0.00 C ATOM 637 OG SER A 38 -8.092 -5.112 -6.577 1.00 0.00 O ATOM 0 H SER A 38 -10.386 -2.151 -5.571 1.00 0.00 H new ATOM 0 HA SER A 38 -7.597 -2.629 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.316 -4.316 -5.125 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.965 -4.275 -6.753 1.00 0.00 H new ATOM 0 HG SER A 38 -8.458 -6.012 -6.452 1.00 0.00 H new ATOM 643 N ASN A 39 -9.238 -1.935 -8.507 1.00 0.00 N ATOM 644 CA ASN A 39 -9.131 -1.520 -9.897 1.00 0.00 C ATOM 645 C ASN A 39 -8.014 -0.498 -10.075 1.00 0.00 C ATOM 646 O ASN A 39 -7.111 -0.688 -10.886 1.00 0.00 O ATOM 647 CB ASN A 39 -10.464 -0.917 -10.339 1.00 0.00 C ATOM 648 CG ASN A 39 -10.461 -0.423 -11.766 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.066 0.706 -12.048 1.00 0.00 O ATOM 650 ND2 ASN A 39 -10.928 -1.257 -12.669 1.00 0.00 N ATOM 0 H ASN A 39 -10.169 -1.803 -8.112 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.893 -2.389 -10.510 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.248 -1.666 -10.224 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.716 -0.088 -9.677 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.973 -0.976 -13.648 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.245 -2.185 -12.390 1.00 0.00 H new ATOM 657 N VAL A 40 -8.079 0.577 -9.295 1.00 0.00 N ATOM 658 CA VAL A 40 -7.082 1.638 -9.358 1.00 0.00 C ATOM 659 C VAL A 40 -5.692 1.102 -9.027 1.00 0.00 C ATOM 660 O VAL A 40 -4.715 1.422 -9.708 1.00 0.00 O ATOM 661 CB VAL A 40 -7.430 2.792 -8.394 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.382 3.892 -8.455 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.807 3.352 -8.711 1.00 0.00 C ATOM 0 H VAL A 40 -8.817 0.736 -8.609 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.083 2.021 -10.379 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.440 2.392 -7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.653 4.692 -7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.411 3.485 -8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.330 4.289 -9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.037 4.165 -8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.820 3.729 -9.734 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.553 2.565 -8.605 1.00 0.00 H new ATOM 673 N LEU A 41 -5.616 0.261 -8.001 1.00 0.00 N ATOM 674 CA LEU A 41 -4.344 -0.313 -7.573 1.00 0.00 C ATOM 675 C LEU A 41 -3.709 -1.146 -8.689 1.00 0.00 C ATOM 676 O LEU A 41 -2.487 -1.273 -8.762 1.00 0.00 O ATOM 677 CB LEU A 41 -4.538 -1.189 -6.331 1.00 0.00 C ATOM 678 CG LEU A 41 -5.067 -0.466 -5.091 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.244 -1.445 -3.944 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.133 0.663 -4.686 1.00 0.00 C ATOM 0 H LEU A 41 -6.420 -0.039 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.677 0.514 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.227 -1.996 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.583 -1.651 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.038 -0.035 -5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.621 -0.916 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.954 -2.220 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.284 -1.903 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.529 1.163 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.147 0.257 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.053 1.380 -5.503 1.00 0.00 H new ATOM 692 N SER A 42 -4.547 -1.685 -9.569 1.00 0.00 N ATOM 693 CA SER A 42 -4.091 -2.550 -10.653 1.00 0.00 C ATOM 694 C SER A 42 -3.272 -1.769 -11.693 1.00 0.00 C ATOM 695 O SER A 42 -2.647 -2.360 -12.575 1.00 0.00 O ATOM 696 CB SER A 42 -5.301 -3.225 -11.311 1.00 0.00 C ATOM 697 OG SER A 42 -4.913 -4.316 -12.132 1.00 0.00 O ATOM 0 H SER A 42 -5.556 -1.536 -9.552 1.00 0.00 H new ATOM 0 HA SER A 42 -3.435 -3.313 -10.234 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.986 -3.576 -10.539 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.844 -2.494 -11.910 1.00 0.00 H new ATOM 0 HG SER A 42 -4.080 -4.094 -12.599 1.00 0.00 H new ATOM 703 N ARG A 43 -3.278 -0.443 -11.596 1.00 0.00 N ATOM 704 CA ARG A 43 -2.445 0.383 -12.464 1.00 0.00 C ATOM 705 C ARG A 43 -1.655 1.394 -11.642 1.00 0.00 C ATOM 706 O ARG A 43 -1.163 2.399 -12.165 1.00 0.00 O ATOM 707 CB ARG A 43 -3.270 1.102 -13.544 1.00 0.00 C ATOM 708 CG ARG A 43 -4.478 1.869 -13.028 1.00 0.00 C ATOM 709 CD ARG A 43 -5.731 1.005 -13.028 1.00 0.00 C ATOM 710 NE ARG A 43 -6.050 0.485 -14.361 1.00 0.00 N ATOM 711 CZ ARG A 43 -7.191 0.739 -15.010 1.00 0.00 C ATOM 712 NH1 ARG A 43 -8.116 1.519 -14.459 1.00 0.00 N ATOM 713 NH2 ARG A 43 -7.401 0.222 -16.213 1.00 0.00 N ATOM 0 H ARG A 43 -3.846 0.080 -10.930 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.750 -0.284 -12.974 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.618 1.796 -14.075 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.611 0.364 -14.271 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.280 2.224 -12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.643 2.750 -13.648 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.595 0.172 -12.339 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.573 1.590 -12.658 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.359 -0.107 -14.822 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.957 1.926 -13.538 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.985 1.710 -14.958 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.692 -0.370 -16.644 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.272 0.417 -16.707 1.00 0.00 H new ATOM 727 N LEU A 44 -1.515 1.110 -10.358 1.00 0.00 N ATOM 728 CA LEU A 44 -0.807 1.996 -9.454 1.00 0.00 C ATOM 729 C LEU A 44 0.516 1.370 -9.022 1.00 0.00 C ATOM 730 O LEU A 44 0.539 0.326 -8.371 1.00 0.00 O ATOM 731 CB LEU A 44 -1.675 2.302 -8.232 1.00 0.00 C ATOM 732 CG LEU A 44 -1.088 3.312 -7.247 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.842 4.652 -7.925 1.00 0.00 C ATOM 734 CD2 LEU A 44 -2.013 3.480 -6.056 1.00 0.00 C ATOM 0 H LEU A 44 -1.885 0.268 -9.918 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.593 2.929 -9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.639 2.675 -8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.865 1.370 -7.700 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.129 2.931 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.424 5.354 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.142 4.519 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.784 5.044 -8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.584 4.202 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.984 3.838 -6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.136 2.521 -5.553 1.00 0.00 H new ATOM 746 N TYR A 45 1.614 2.002 -9.412 1.00 0.00 N ATOM 747 CA TYR A 45 2.943 1.533 -9.045 1.00 0.00 C ATOM 748 C TYR A 45 3.655 2.573 -8.193 1.00 0.00 C ATOM 749 O TYR A 45 3.977 3.665 -8.664 1.00 0.00 O ATOM 750 CB TYR A 45 3.775 1.215 -10.294 1.00 0.00 C ATOM 751 CG TYR A 45 3.417 -0.105 -10.946 1.00 0.00 C ATOM 752 CD1 TYR A 45 2.234 -0.259 -11.661 1.00 0.00 C ATOM 753 CD2 TYR A 45 4.264 -1.199 -10.838 1.00 0.00 C ATOM 754 CE1 TYR A 45 1.907 -1.468 -12.247 1.00 0.00 C ATOM 755 CE2 TYR A 45 3.943 -2.411 -11.420 1.00 0.00 C ATOM 756 CZ TYR A 45 2.765 -2.540 -12.125 1.00 0.00 C ATOM 757 OH TYR A 45 2.441 -3.747 -12.701 1.00 0.00 O ATOM 0 H TYR A 45 1.610 2.845 -9.986 1.00 0.00 H new ATOM 0 HA TYR A 45 2.831 0.617 -8.464 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.643 2.016 -11.021 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.831 1.201 -10.023 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.560 0.579 -11.760 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.190 -1.102 -10.290 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.984 -1.572 -12.798 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.612 -3.253 -11.323 1.00 0.00 H new ATOM 0 HH TYR A 45 3.153 -4.396 -12.522 1.00 0.00 H new ATOM 767 N VAL A 46 3.880 2.235 -6.935 1.00 0.00 N ATOM 768 CA VAL A 46 4.565 3.131 -6.017 1.00 0.00 C ATOM 769 C VAL A 46 6.042 2.778 -5.937 1.00 0.00 C ATOM 770 O VAL A 46 6.495 1.826 -6.573 1.00 0.00 O ATOM 771 CB VAL A 46 3.944 3.086 -4.605 1.00 0.00 C ATOM 772 CG1 VAL A 46 2.513 3.595 -4.644 1.00 0.00 C ATOM 773 CG2 VAL A 46 3.997 1.675 -4.029 1.00 0.00 C ATOM 0 H VAL A 46 3.598 1.345 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 46 4.452 4.143 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 46 4.528 3.736 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.086 3.558 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.502 4.623 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.922 2.969 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.553 1.671 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.441 0.997 -4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.034 1.347 -3.965 1.00 0.00 H new ATOM 783 N GLY A 47 6.793 3.537 -5.158 1.00 0.00 N ATOM 784 CA GLY A 47 8.210 3.287 -5.036 1.00 0.00 C ATOM 785 C GLY A 47 8.715 3.552 -3.638 1.00 0.00 C ATOM 786 O GLY A 47 7.948 3.995 -2.783 1.00 0.00 O ATOM 0 H GLY A 47 6.446 4.322 -4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.420 2.252 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.751 3.917 -5.742 1.00 0.00 H new ATOM 790 N VAL A 48 10.002 3.268 -3.411 1.00 0.00 N ATOM 791 CA VAL A 48 10.650 3.494 -2.111 1.00 0.00 C ATOM 792 C VAL A 48 10.167 2.478 -1.065 1.00 0.00 C ATOM 793 O VAL A 48 9.007 2.075 -1.065 1.00 0.00 O ATOM 794 CB VAL A 48 10.408 4.944 -1.606 1.00 0.00 C ATOM 795 CG1 VAL A 48 11.035 5.175 -0.237 1.00 0.00 C ATOM 796 CG2 VAL A 48 10.946 5.953 -2.613 1.00 0.00 C ATOM 0 H VAL A 48 10.623 2.876 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 48 11.722 3.356 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 48 9.332 5.083 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.845 6.200 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.599 4.483 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.110 5.007 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.769 6.964 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.017 5.798 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.438 5.820 -3.568 1.00 0.00 H new ATOM 806 N PRO A 49 11.083 1.972 -0.219 1.00 0.00 N ATOM 807 CA PRO A 49 10.715 1.152 0.942 1.00 0.00 C ATOM 808 C PRO A 49 9.908 1.957 1.960 1.00 0.00 C ATOM 809 O PRO A 49 10.385 2.959 2.490 1.00 0.00 O ATOM 810 CB PRO A 49 12.064 0.729 1.535 1.00 0.00 C ATOM 811 CG PRO A 49 13.058 0.961 0.450 1.00 0.00 C ATOM 812 CD PRO A 49 12.540 2.129 -0.332 1.00 0.00 C ATOM 0 HA PRO A 49 10.085 0.306 0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.305 1.315 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.050 -0.318 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.045 1.172 0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.159 0.080 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.879 3.078 0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.871 2.100 -1.370 1.00 0.00 H new ATOM 820 N THR A 50 8.688 1.517 2.216 1.00 0.00 N ATOM 821 CA THR A 50 7.770 2.257 3.064 1.00 0.00 C ATOM 822 C THR A 50 7.692 1.664 4.470 1.00 0.00 C ATOM 823 O THR A 50 8.146 0.551 4.706 1.00 0.00 O ATOM 824 CB THR A 50 6.367 2.260 2.434 1.00 0.00 C ATOM 825 OG1 THR A 50 5.955 0.912 2.162 1.00 0.00 O ATOM 826 CG2 THR A 50 6.351 3.069 1.144 1.00 0.00 C ATOM 0 H THR A 50 8.309 0.645 1.846 1.00 0.00 H new ATOM 0 HA THR A 50 8.147 3.276 3.147 1.00 0.00 H new ATOM 0 HB THR A 50 5.675 2.721 3.139 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.037 0.781 2.478 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.348 3.055 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.641 4.098 1.356 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.053 2.633 0.433 1.00 0.00 H new ATOM 834 N LYS A 51 7.109 2.417 5.394 1.00 0.00 N ATOM 835 CA LYS A 51 6.902 1.952 6.763 1.00 0.00 C ATOM 836 C LYS A 51 5.454 1.519 6.948 1.00 0.00 C ATOM 837 O LYS A 51 4.825 1.018 6.023 1.00 0.00 O ATOM 838 CB LYS A 51 7.238 3.070 7.754 1.00 0.00 C ATOM 839 CG LYS A 51 8.701 3.479 7.749 1.00 0.00 C ATOM 840 CD LYS A 51 8.969 4.551 8.791 1.00 0.00 C ATOM 841 CE LYS A 51 10.444 4.895 8.877 1.00 0.00 C ATOM 842 NZ LYS A 51 10.707 5.906 9.930 1.00 0.00 N ATOM 0 H LYS A 51 6.767 3.362 5.219 1.00 0.00 H new ATOM 0 HA LYS A 51 7.558 1.102 6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.626 3.942 7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.965 2.746 8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.326 2.609 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.975 3.850 6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.400 5.448 8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.618 4.208 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.017 3.992 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.787 5.274 7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.725 6.118 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.179 6.776 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.402 5.534 10.852 1.00 0.00 H new ATOM 856 N SER A 52 4.940 1.680 8.146 1.00 0.00 N ATOM 857 CA SER A 52 3.515 1.512 8.384 1.00 0.00 C ATOM 858 C SER A 52 2.859 2.884 8.482 1.00 0.00 C ATOM 859 O SER A 52 3.238 3.701 9.322 1.00 0.00 O ATOM 860 CB SER A 52 3.261 0.708 9.662 1.00 0.00 C ATOM 861 OG SER A 52 1.900 0.320 9.760 1.00 0.00 O ATOM 0 H SER A 52 5.483 1.927 8.974 1.00 0.00 H new ATOM 0 HA SER A 52 3.081 0.957 7.552 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.896 -0.178 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.536 1.305 10.532 1.00 0.00 H new ATOM 0 HG SER A 52 1.765 -0.193 10.584 1.00 0.00 H new ATOM 867 N GLY A 53 1.898 3.145 7.607 1.00 0.00 N ATOM 868 CA GLY A 53 1.233 4.431 7.595 1.00 0.00 C ATOM 869 C GLY A 53 1.753 5.329 6.492 1.00 0.00 C ATOM 870 O GLY A 53 2.115 6.483 6.735 1.00 0.00 O ATOM 0 H GLY A 53 1.566 2.486 6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.161 4.283 7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.374 4.921 8.558 1.00 0.00 H new ATOM 874 N ASN A 54 1.813 4.794 5.278 1.00 0.00 N ATOM 875 CA ASN A 54 2.265 5.569 4.125 1.00 0.00 C ATOM 876 C ASN A 54 1.089 5.868 3.216 1.00 0.00 C ATOM 877 O ASN A 54 0.561 4.964 2.571 1.00 0.00 O ATOM 878 CB ASN A 54 3.322 4.818 3.319 1.00 0.00 C ATOM 879 CG ASN A 54 4.260 4.015 4.186 1.00 0.00 C ATOM 880 OD1 ASN A 54 5.276 4.512 4.669 1.00 0.00 O ATOM 881 ND2 ASN A 54 3.926 2.753 4.375 1.00 0.00 N ATOM 0 H ASN A 54 1.556 3.830 5.065 1.00 0.00 H new ATOM 0 HA ASN A 54 2.704 6.492 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.827 4.151 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.899 5.532 2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.520 2.147 4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.073 2.383 3.955 1.00 0.00 H new ATOM 888 N VAL A 55 0.670 7.123 3.179 1.00 0.00 N ATOM 889 CA VAL A 55 -0.448 7.519 2.339 1.00 0.00 C ATOM 890 C VAL A 55 -0.066 7.448 0.865 1.00 0.00 C ATOM 891 O VAL A 55 0.768 8.219 0.384 1.00 0.00 O ATOM 892 CB VAL A 55 -0.949 8.943 2.671 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.067 9.362 1.726 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.422 9.015 4.112 1.00 0.00 C ATOM 0 H VAL A 55 1.086 7.882 3.719 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.258 6.818 2.542 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.116 9.634 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.401 10.368 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.699 9.351 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.902 8.667 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.772 10.024 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.238 8.308 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.597 8.765 4.779 1.00 0.00 H new ATOM 904 N VAL A 56 -0.666 6.502 0.167 1.00 0.00 N ATOM 905 CA VAL A 56 -0.447 6.347 -1.259 1.00 0.00 C ATOM 906 C VAL A 56 -1.379 7.274 -2.025 1.00 0.00 C ATOM 907 O VAL A 56 -0.936 8.177 -2.734 1.00 0.00 O ATOM 908 CB VAL A 56 -0.683 4.887 -1.705 1.00 0.00 C ATOM 909 CG1 VAL A 56 -0.442 4.739 -3.197 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.204 3.929 -0.919 1.00 0.00 C ATOM 0 H VAL A 56 -1.314 5.824 0.568 1.00 0.00 H new ATOM 0 HA VAL A 56 0.590 6.606 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.722 4.632 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.613 3.704 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.126 5.390 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.586 5.017 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.020 2.907 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.251 4.182 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.023 4.012 0.144 1.00 0.00 H new ATOM 920 N CYS A 57 -2.671 7.045 -1.870 1.00 0.00 N ATOM 921 CA CYS A 57 -3.680 7.902 -2.464 1.00 0.00 C ATOM 922 C CYS A 57 -4.716 8.289 -1.419 1.00 0.00 C ATOM 923 O CYS A 57 -5.425 7.430 -0.889 1.00 0.00 O ATOM 924 CB CYS A 57 -4.348 7.206 -3.646 1.00 0.00 C ATOM 925 SG CYS A 57 -3.208 6.791 -4.987 1.00 0.00 S ATOM 0 H CYS A 57 -3.048 6.265 -1.332 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.196 8.807 -2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.828 6.293 -3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.136 7.850 -4.037 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.861 6.202 -5.945 1.00 0.00 H new ATOM 931 N LYS A 58 -4.780 9.571 -1.110 1.00 0.00 N ATOM 932 CA LYS A 58 -5.731 10.070 -0.132 1.00 0.00 C ATOM 933 C LYS A 58 -6.952 10.637 -0.842 1.00 0.00 C ATOM 934 O LYS A 58 -6.825 11.251 -1.902 1.00 0.00 O ATOM 935 CB LYS A 58 -5.084 11.132 0.760 1.00 0.00 C ATOM 936 CG LYS A 58 -4.670 12.401 0.029 1.00 0.00 C ATOM 937 CD LYS A 58 -3.981 13.381 0.964 1.00 0.00 C ATOM 938 CE LYS A 58 -4.827 13.661 2.194 1.00 0.00 C ATOM 939 NZ LYS A 58 -4.187 14.653 3.094 1.00 0.00 N ATOM 0 H LYS A 58 -4.183 10.288 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.046 9.243 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.782 11.396 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.205 10.700 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.000 12.147 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.549 12.872 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.015 12.978 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.785 14.314 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.805 14.030 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.994 12.732 2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.797 14.816 3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.265 14.291 3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.051 15.548 2.583 1.00 0.00 H new ATOM 953 N ASN A 59 -8.129 10.412 -0.260 1.00 0.00 N ATOM 954 CA ASN A 59 -9.391 10.825 -0.873 1.00 0.00 C ATOM 955 C ASN A 59 -9.517 10.166 -2.247 1.00 0.00 C ATOM 956 O ASN A 59 -9.969 10.773 -3.216 1.00 0.00 O ATOM 957 CB ASN A 59 -9.465 12.361 -0.981 1.00 0.00 C ATOM 958 CG ASN A 59 -10.869 12.877 -1.258 1.00 0.00 C ATOM 959 OD1 ASN A 59 -11.276 13.040 -2.409 1.00 0.00 O ATOM 960 ND2 ASN A 59 -11.618 13.159 -0.201 1.00 0.00 N ATOM 0 H ASN A 59 -8.235 9.944 0.640 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.224 10.503 -0.248 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.100 12.802 -0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.799 12.695 -1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.562 13.523 -0.328 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.250 13.012 0.739 1.00 0.00 H new ATOM 967 N ILE A 60 -9.138 8.894 -2.304 1.00 0.00 N ATOM 968 CA ILE A 60 -9.068 8.173 -3.564 1.00 0.00 C ATOM 969 C ILE A 60 -10.457 8.041 -4.179 1.00 0.00 C ATOM 970 O ILE A 60 -11.423 7.742 -3.479 1.00 0.00 O ATOM 971 CB ILE A 60 -8.417 6.777 -3.379 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.311 6.040 -4.723 1.00 0.00 C ATOM 973 CG2 ILE A 60 -9.198 5.947 -2.366 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.589 4.707 -4.643 1.00 0.00 C ATOM 0 H ILE A 60 -8.874 8.342 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.438 8.746 -4.245 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.408 6.922 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.315 5.875 -5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.792 6.680 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.724 4.972 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.208 6.461 -1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.222 5.814 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.557 4.251 -5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.572 4.865 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.119 4.047 -3.956 1.00 0.00 H new ATOM 986 N MET A 61 -10.553 8.327 -5.478 1.00 0.00 N ATOM 987 CA MET A 61 -11.821 8.248 -6.214 1.00 0.00 C ATOM 988 C MET A 61 -12.830 9.251 -5.668 1.00 0.00 C ATOM 989 O MET A 61 -14.038 9.084 -5.848 1.00 0.00 O ATOM 990 CB MET A 61 -12.410 6.833 -6.148 1.00 0.00 C ATOM 991 CG MET A 61 -11.452 5.751 -6.613 1.00 0.00 C ATOM 992 SD MET A 61 -10.774 6.084 -8.250 1.00 0.00 S ATOM 993 CE MET A 61 -12.270 6.118 -9.234 1.00 0.00 C ATOM 0 H MET A 61 -9.760 8.619 -6.049 1.00 0.00 H new ATOM 0 HA MET A 61 -11.610 8.491 -7.256 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.712 6.622 -5.122 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.311 6.795 -6.760 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.635 5.661 -5.897 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.971 4.792 -6.627 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.011 6.064 -10.291 1.00 0.00 H new ATOM 0 HE2 MET A 61 -12.898 5.267 -8.971 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.812 7.043 -9.040 1.00 0.00 H new ATOM 1003 N ASN A 62 -12.319 10.290 -4.995 1.00 0.00 N ATOM 1004 CA ASN A 62 -13.150 11.313 -4.356 1.00 0.00 C ATOM 1005 C ASN A 62 -13.957 10.696 -3.209 1.00 0.00 C ATOM 1006 O ASN A 62 -14.845 11.324 -2.632 1.00 0.00 O ATOM 1007 CB ASN A 62 -14.075 11.983 -5.384 1.00 0.00 C ATOM 1008 CG ASN A 62 -14.777 13.220 -4.847 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -14.112 13.956 -3.964 1.00 0.00 O flip ATOM 1010 ND2 ASN A 62 -15.902 13.525 -5.238 1.00 0.00 N flip ATOM 0 H ASN A 62 -11.317 10.443 -4.879 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.499 12.084 -3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.491 12.258 -6.262 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.824 11.262 -5.712 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.383 12.936 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.354 14.368 -4.883 1.00 0.00 H new ATOM 1017 N THR A 63 -13.604 9.465 -2.863 1.00 0.00 N ATOM 1018 CA THR A 63 -14.281 8.723 -1.817 1.00 0.00 C ATOM 1019 C THR A 63 -13.986 9.322 -0.444 1.00 0.00 C ATOM 1020 O THR A 63 -14.884 9.492 0.381 1.00 0.00 O ATOM 1021 CB THR A 63 -13.849 7.244 -1.862 1.00 0.00 C ATOM 1022 OG1 THR A 63 -14.276 6.655 -3.093 1.00 0.00 O ATOM 1023 CG2 THR A 63 -14.408 6.455 -0.696 1.00 0.00 C ATOM 0 H THR A 63 -12.838 8.955 -3.303 1.00 0.00 H new ATOM 0 HA THR A 63 -15.356 8.786 -1.987 1.00 0.00 H new ATOM 0 HB THR A 63 -12.762 7.213 -1.791 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.294 5.680 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.079 5.418 -0.767 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.051 6.886 0.239 1.00 0.00 H new ATOM 0 HG23 THR A 63 -15.497 6.492 -0.720 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.728 9.657 -0.211 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.352 10.266 1.051 1.00 0.00 C ATOM 1033 C GLY A 64 -11.381 9.414 1.833 1.00 0.00 C ATOM 1034 O GLY A 64 -10.591 9.929 2.619 1.00 0.00 O ATOM 0 H GLY A 64 -11.961 9.520 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.905 11.242 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.246 10.436 1.650 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.437 8.108 1.610 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.557 7.171 2.296 1.00 0.00 C ATOM 1040 C VAL A 65 -9.107 7.374 1.863 1.00 0.00 C ATOM 1041 O VAL A 65 -8.832 7.639 0.691 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.969 5.708 2.018 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.983 4.729 2.630 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.366 5.431 2.543 1.00 0.00 C ATOM 0 H VAL A 65 -12.086 7.671 0.956 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.647 7.366 3.365 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.964 5.569 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.302 3.709 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.993 4.896 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.944 4.878 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.634 4.395 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.391 5.604 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.077 6.095 2.052 1.00 0.00 H new ATOM 1054 N ASP A 66 -8.202 7.265 2.821 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.774 7.311 2.543 1.00 0.00 C ATOM 1056 C ASP A 66 -6.249 5.893 2.413 1.00 0.00 C ATOM 1057 O ASP A 66 -6.413 5.077 3.324 1.00 0.00 O ATOM 1058 CB ASP A 66 -6.016 8.013 3.678 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.535 9.401 3.988 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -7.595 9.509 4.637 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -5.880 10.388 3.608 1.00 0.00 O ATOM 0 H ASP A 66 -8.433 7.143 3.807 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.619 7.867 1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.079 7.401 4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.961 8.080 3.412 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.644 5.589 1.280 1.00 0.00 N ATOM 1067 CA ILE A 67 -5.071 4.272 1.064 1.00 0.00 C ATOM 1068 C ILE A 67 -3.630 4.271 1.539 1.00 0.00 C ATOM 1069 O ILE A 67 -2.754 4.862 0.904 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.148 3.847 -0.420 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.607 3.825 -0.887 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.500 2.483 -0.625 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.502 2.920 -0.063 1.00 0.00 C ATOM 0 H ILE A 67 -5.536 6.233 0.497 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.651 3.548 1.636 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.600 4.575 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.004 4.840 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.640 3.503 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.565 2.203 -1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.453 2.529 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.018 1.739 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.518 2.958 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.131 1.896 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.501 3.254 0.975 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.392 3.636 2.673 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.092 3.695 3.313 1.00 0.00 C ATOM 1087 C ILE A 68 -1.420 2.331 3.357 1.00 0.00 C ATOM 1088 O ILE A 68 -2.038 1.330 3.713 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.189 4.262 4.748 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.216 3.483 5.577 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.548 5.738 4.712 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.312 3.948 7.014 1.00 0.00 C ATOM 0 H ILE A 68 -4.083 3.073 3.169 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.484 4.366 2.707 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.214 4.151 5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.195 3.576 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.955 2.425 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.612 6.122 5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.780 6.286 4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.509 5.867 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.058 3.352 7.540 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.344 3.829 7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.604 4.998 7.038 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.155 2.300 2.978 1.00 0.00 N ATOM 1105 CA CYS A 69 0.653 1.099 3.112 1.00 0.00 C ATOM 1106 C CYS A 69 0.966 0.877 4.586 1.00 0.00 C ATOM 1107 O CYS A 69 1.195 1.841 5.318 1.00 0.00 O ATOM 1108 CB CYS A 69 1.942 1.238 2.302 1.00 0.00 C ATOM 1109 SG CYS A 69 3.146 -0.077 2.590 1.00 0.00 S ATOM 0 H CYS A 69 0.338 3.096 2.573 1.00 0.00 H new ATOM 0 HA CYS A 69 0.104 0.240 2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.691 1.259 1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.404 2.196 2.539 1.00 0.00 H new ATOM 0 HG CYS A 69 3.795 0.163 3.690 1.00 0.00 H new ATOM 1115 N THR A 70 0.971 -0.374 5.028 1.00 0.00 N ATOM 1116 CA THR A 70 1.114 -0.659 6.449 1.00 0.00 C ATOM 1117 C THR A 70 2.263 -1.637 6.734 1.00 0.00 C ATOM 1118 O THR A 70 2.512 -1.993 7.886 1.00 0.00 O ATOM 1119 CB THR A 70 -0.214 -1.215 7.017 1.00 0.00 C ATOM 1120 OG1 THR A 70 -0.175 -1.267 8.449 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.512 -2.603 6.462 1.00 0.00 C ATOM 0 H THR A 70 0.879 -1.197 4.432 1.00 0.00 H new ATOM 0 HA THR A 70 1.358 0.280 6.945 1.00 0.00 H new ATOM 0 HB THR A 70 -1.010 -0.537 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.546 -0.690 8.778 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.451 -2.968 6.879 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.593 -2.551 5.376 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.294 -3.284 6.733 1.00 0.00 H new ATOM 1129 N LYS A 71 2.977 -2.053 5.698 1.00 0.00 N ATOM 1130 CA LYS A 71 4.079 -2.990 5.882 1.00 0.00 C ATOM 1131 C LYS A 71 5.414 -2.261 5.820 1.00 0.00 C ATOM 1132 O LYS A 71 5.685 -1.516 4.879 1.00 0.00 O ATOM 1133 CB LYS A 71 4.029 -4.109 4.843 1.00 0.00 C ATOM 1134 CG LYS A 71 5.127 -5.147 5.012 1.00 0.00 C ATOM 1135 CD LYS A 71 4.959 -6.303 4.040 1.00 0.00 C ATOM 1136 CE LYS A 71 6.080 -7.323 4.175 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.207 -7.832 5.568 1.00 0.00 N ATOM 0 H LYS A 71 2.818 -1.762 4.733 1.00 0.00 H new ATOM 0 HA LYS A 71 3.976 -3.443 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.060 -4.605 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.104 -3.672 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.099 -4.678 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.116 -5.526 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.001 -6.791 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.937 -5.920 3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.893 -8.158 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.022 -6.869 3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.834 -8.661 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.607 -7.088 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.269 -8.103 5.925 1.00 0.00 H new ATOM 1151 N ASN A 72 6.248 -2.495 6.825 1.00 0.00 N ATOM 1152 CA ASN A 72 7.511 -1.784 6.955 1.00 0.00 C ATOM 1153 C ASN A 72 8.590 -2.491 6.151 1.00 0.00 C ATOM 1154 O ASN A 72 9.063 -3.561 6.537 1.00 0.00 O ATOM 1155 CB ASN A 72 7.961 -1.685 8.422 1.00 0.00 C ATOM 1156 CG ASN A 72 6.977 -0.959 9.331 1.00 0.00 C ATOM 1157 OD1 ASN A 72 5.702 -1.314 9.261 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 7.368 -0.103 10.123 1.00 0.00 N flip ATOM 0 H ASN A 72 6.070 -3.175 7.564 1.00 0.00 H new ATOM 0 HA ASN A 72 7.358 -0.774 6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.121 -2.691 8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.921 -1.171 8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.356 0.150 10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.705 0.354 10.749 1.00 0.00 H new ATOM 1165 N LEU A 73 8.964 -1.901 5.032 1.00 0.00 N ATOM 1166 CA LEU A 73 9.976 -2.476 4.162 1.00 0.00 C ATOM 1167 C LEU A 73 11.339 -1.866 4.470 1.00 0.00 C ATOM 1168 O LEU A 73 11.485 -0.642 4.480 1.00 0.00 O ATOM 1169 CB LEU A 73 9.616 -2.223 2.693 1.00 0.00 C ATOM 1170 CG LEU A 73 8.222 -2.690 2.261 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.999 -2.407 0.785 1.00 0.00 C ATOM 1172 CD2 LEU A 73 8.039 -4.172 2.554 1.00 0.00 C ATOM 0 H LEU A 73 8.579 -1.016 4.701 1.00 0.00 H new ATOM 0 HA LEU A 73 10.018 -3.551 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.698 -1.154 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.356 -2.720 2.066 1.00 0.00 H new ATOM 0 HG LEU A 73 7.481 -2.133 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.004 -2.745 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.085 -1.336 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.748 -2.937 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.043 -4.485 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.788 -4.746 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.155 -4.348 3.623 1.00 0.00 H new ATOM 1184 N PRO A 74 12.350 -2.708 4.746 1.00 0.00 N ATOM 1185 CA PRO A 74 13.720 -2.245 4.981 1.00 0.00 C ATOM 1186 C PRO A 74 14.261 -1.466 3.785 1.00 0.00 C ATOM 1187 O PRO A 74 14.139 -1.906 2.639 1.00 0.00 O ATOM 1188 CB PRO A 74 14.519 -3.540 5.197 1.00 0.00 C ATOM 1189 CG PRO A 74 13.653 -4.633 4.670 1.00 0.00 C ATOM 1190 CD PRO A 74 12.237 -4.167 4.862 1.00 0.00 C ATOM 0 HA PRO A 74 13.784 -1.562 5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.472 -3.506 4.670 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.744 -3.691 6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.862 -4.823 3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.833 -5.566 5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.570 -4.581 4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.842 -4.465 5.833 1.00 0.00 H new