USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 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 70 SER OG : rot -110:sc= -0.122 USER MOD Set 1.2: A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.17) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.517 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -27:sc= 0.0624 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.24) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 67:sc= 0.0639 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 21:sc= 0.016 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -170:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 1.07 K(o=1.1,f=-5.7!) USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= 0.785 (180deg=0.579) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00879 USER MOD Single : A 111 TYR OH : rot 130:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 140:sc= 1.2 (180deg=0.614) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -2.760 13.726 0.322 1.00 0.00 N ATOM 106 CA GLY A 19 -4.002 13.107 0.803 1.00 0.00 C ATOM 107 C GLY A 19 -3.760 11.729 1.424 1.00 0.00 C ATOM 108 O GLY A 19 -2.768 11.061 1.132 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.468 13.759 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.703 13.012 -0.026 1.00 0.00 H new ATOM 112 N ASP A 20 -4.689 11.265 2.257 1.00 0.00 N ATOM 113 CA ASP A 20 -4.559 10.005 3.001 1.00 0.00 C ATOM 114 C ASP A 20 -5.864 9.184 2.991 1.00 0.00 C ATOM 115 O ASP A 20 -6.956 9.734 2.817 1.00 0.00 O ATOM 116 CB ASP A 20 -4.179 10.305 4.462 1.00 0.00 C ATOM 117 CG ASP A 20 -2.874 11.101 4.615 1.00 0.00 C ATOM 118 OD1 ASP A 20 -1.793 10.469 4.601 1.00 0.00 O ATOM 119 OD2 ASP A 20 -2.936 12.339 4.813 1.00 0.00 O ATOM 0 H ASP A 20 -5.564 11.756 2.439 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.783 9.418 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.990 10.862 4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.084 9.364 5.003 1.00 0.00 H new ATOM 124 N ALA A 21 -5.752 7.870 3.226 1.00 0.00 N ATOM 125 CA ALA A 21 -6.859 6.910 3.199 1.00 0.00 C ATOM 126 C ALA A 21 -6.550 5.654 4.043 1.00 0.00 C ATOM 127 O ALA A 21 -6.458 4.531 3.541 1.00 0.00 O ATOM 128 CB ALA A 21 -7.189 6.597 1.735 1.00 0.00 C ATOM 0 H ALA A 21 -4.857 7.433 3.447 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.744 7.343 3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.012 5.883 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.478 7.515 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.312 6.170 1.248 1.00 0.00 H new ATOM 134 N ASN A 22 -6.372 5.861 5.353 1.00 0.00 N ATOM 135 CA ASN A 22 -6.339 4.833 6.407 1.00 0.00 C ATOM 136 C ASN A 22 -5.154 3.846 6.282 1.00 0.00 C ATOM 137 O ASN A 22 -4.160 3.987 6.996 1.00 0.00 O ATOM 138 CB ASN A 22 -7.705 4.122 6.502 1.00 0.00 C ATOM 139 CG ASN A 22 -8.840 5.086 6.845 1.00 0.00 C ATOM 140 OD1 ASN A 22 -9.546 5.581 5.973 1.00 0.00 O ATOM 141 ND2 ASN A 22 -9.039 5.394 8.116 1.00 0.00 N ATOM 0 H ASN A 22 -6.240 6.800 5.729 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.157 5.347 7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.923 3.631 5.554 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.653 3.341 7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.781 6.045 8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.450 4.981 8.839 1.00 0.00 H new ATOM 148 N ILE A 23 -5.254 2.841 5.399 1.00 0.00 N ATOM 149 CA ILE A 23 -4.206 1.826 5.150 1.00 0.00 C ATOM 150 C ILE A 23 -3.323 2.212 3.942 1.00 0.00 C ATOM 151 O ILE A 23 -2.253 1.638 3.750 1.00 0.00 O ATOM 152 CB ILE A 23 -4.843 0.410 5.033 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.828 0.102 6.193 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.774 -0.702 5.031 1.00 0.00 C ATOM 155 CD1 ILE A 23 -7.292 0.349 5.810 1.00 0.00 C ATOM 0 H ILE A 23 -6.084 2.704 4.822 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.529 1.794 6.004 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.383 0.421 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.708 -0.937 6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.573 0.720 7.054 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.260 -1.674 4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.102 -0.559 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.203 -0.660 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.934 0.117 6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.424 1.394 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.560 -0.288 4.968 1.00 0.00 H new ATOM 167 N PHE A 24 -3.720 3.218 3.149 1.00 0.00 N ATOM 168 CA PHE A 24 -2.924 3.777 2.060 1.00 0.00 C ATOM 169 C PHE A 24 -2.915 5.316 2.083 1.00 0.00 C ATOM 170 O PHE A 24 -3.677 5.940 2.823 1.00 0.00 O ATOM 171 CB PHE A 24 -3.422 3.182 0.734 1.00 0.00 C ATOM 172 CG PHE A 24 -4.852 3.489 0.332 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.933 2.826 0.947 1.00 0.00 C ATOM 174 CD2 PHE A 24 -5.104 4.425 -0.688 1.00 0.00 C ATOM 175 CE1 PHE A 24 -7.253 3.108 0.560 1.00 0.00 C ATOM 176 CE2 PHE A 24 -6.429 4.725 -1.058 1.00 0.00 C ATOM 177 CZ PHE A 24 -7.503 4.058 -0.444 1.00 0.00 C ATOM 0 H PHE A 24 -4.627 3.673 3.254 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.877 3.499 2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.764 3.532 -0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.311 2.099 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.745 2.096 1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.280 4.914 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.076 2.594 1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.621 5.470 -1.816 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.518 4.275 -0.743 1.00 0.00 H new ATOM 187 N ARG A 25 -2.027 5.942 1.299 1.00 0.00 N ATOM 188 CA ARG A 25 -1.878 7.411 1.222 1.00 0.00 C ATOM 189 C ARG A 25 -1.483 7.832 -0.194 1.00 0.00 C ATOM 190 O ARG A 25 -0.905 7.022 -0.914 1.00 0.00 O ATOM 191 CB ARG A 25 -0.817 7.950 2.210 1.00 0.00 C ATOM 192 CG ARG A 25 -0.847 7.362 3.632 1.00 0.00 C ATOM 193 CD ARG A 25 0.313 7.910 4.474 1.00 0.00 C ATOM 194 NE ARG A 25 0.300 7.342 5.835 1.00 0.00 N ATOM 195 CZ ARG A 25 -0.389 7.791 6.880 1.00 0.00 C ATOM 196 NH1 ARG A 25 -1.182 8.838 6.801 1.00 0.00 N ATOM 197 NH2 ARG A 25 -0.284 7.179 8.041 1.00 0.00 N ATOM 0 H ARG A 25 -1.381 5.440 0.690 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.845 7.835 1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.170 7.767 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.937 9.031 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.796 7.605 4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.784 6.275 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.260 7.676 3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.244 8.996 4.530 1.00 0.00 H new ATOM 0 HE ARG A 25 0.881 6.518 5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.284 9.335 5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.695 9.153 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.323 6.365 8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.810 7.519 8.846 1.00 0.00 H new ATOM 211 N VAL A 26 -1.736 9.085 -0.569 1.00 0.00 N ATOM 212 CA VAL A 26 -1.329 9.653 -1.873 1.00 0.00 C ATOM 213 C VAL A 26 -0.515 10.942 -1.720 1.00 0.00 C ATOM 214 O VAL A 26 -0.912 11.852 -0.998 1.00 0.00 O ATOM 215 CB VAL A 26 -2.550 9.865 -2.800 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.601 10.858 -2.272 1.00 0.00 C ATOM 217 CG2 VAL A 26 -2.126 10.286 -4.218 1.00 0.00 C ATOM 0 H VAL A 26 -2.234 9.749 0.024 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.673 8.921 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.028 8.886 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.417 10.940 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.991 10.502 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.140 11.836 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.013 10.424 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.568 11.221 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.496 9.511 -4.655 1.00 0.00 H new ATOM 227 N ASP A 27 0.604 11.041 -2.441 1.00 0.00 N ATOM 228 CA ASP A 27 1.313 12.308 -2.655 1.00 0.00 C ATOM 229 C ASP A 27 1.001 12.827 -4.063 1.00 0.00 C ATOM 230 O ASP A 27 1.403 12.221 -5.056 1.00 0.00 O ATOM 231 CB ASP A 27 2.821 12.131 -2.438 1.00 0.00 C ATOM 232 CG ASP A 27 3.551 13.484 -2.501 1.00 0.00 C ATOM 233 OD1 ASP A 27 3.792 13.987 -3.623 1.00 0.00 O ATOM 234 OD2 ASP A 27 3.863 14.046 -1.422 1.00 0.00 O ATOM 0 H ASP A 27 1.047 10.242 -2.895 1.00 0.00 H new ATOM 0 HA ASP A 27 0.972 13.045 -1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.000 11.662 -1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.225 11.460 -3.197 1.00 0.00 H new ATOM 239 N LYS A 28 0.260 13.936 -4.154 1.00 0.00 N ATOM 240 CA LYS A 28 -0.220 14.480 -5.434 1.00 0.00 C ATOM 241 C LYS A 28 0.805 15.400 -6.137 1.00 0.00 C ATOM 242 O LYS A 28 0.732 15.590 -7.353 1.00 0.00 O ATOM 243 CB LYS A 28 -1.568 15.175 -5.161 1.00 0.00 C ATOM 244 CG LYS A 28 -2.330 15.521 -6.453 1.00 0.00 C ATOM 245 CD LYS A 28 -3.789 15.932 -6.201 1.00 0.00 C ATOM 246 CE LYS A 28 -3.901 17.215 -5.365 1.00 0.00 C ATOM 247 NZ LYS A 28 -5.319 17.636 -5.195 1.00 0.00 N ATOM 0 H LYS A 28 -0.026 14.484 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.357 13.667 -6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.187 14.527 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.393 16.088 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.814 16.332 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.312 14.659 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.292 16.080 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.308 15.122 -5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.449 17.053 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.339 18.015 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.357 18.505 -4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.742 17.814 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.849 16.883 -4.712 1.00 0.00 H new ATOM 261 N ASP A 29 1.775 15.949 -5.397 1.00 0.00 N ATOM 262 CA ASP A 29 2.825 16.833 -5.924 1.00 0.00 C ATOM 263 C ASP A 29 3.856 16.063 -6.765 1.00 0.00 C ATOM 264 O ASP A 29 4.147 16.434 -7.902 1.00 0.00 O ATOM 265 CB ASP A 29 3.527 17.537 -4.755 1.00 0.00 C ATOM 266 CG ASP A 29 4.548 18.575 -5.251 1.00 0.00 C ATOM 267 OD1 ASP A 29 4.124 19.611 -5.817 1.00 0.00 O ATOM 268 OD2 ASP A 29 5.769 18.356 -5.069 1.00 0.00 O ATOM 0 H ASP A 29 1.855 15.789 -4.393 1.00 0.00 H new ATOM 0 HA ASP A 29 2.353 17.567 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.784 18.028 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.032 16.797 -4.134 1.00 0.00 H new ATOM 273 N SER A 30 4.385 14.973 -6.211 1.00 0.00 N ATOM 274 CA SER A 30 5.356 14.085 -6.864 1.00 0.00 C ATOM 275 C SER A 30 4.683 12.896 -7.591 1.00 0.00 C ATOM 276 O SER A 30 5.310 12.248 -8.435 1.00 0.00 O ATOM 277 CB SER A 30 6.362 13.612 -5.803 1.00 0.00 C ATOM 278 OG SER A 30 7.523 13.036 -6.389 1.00 0.00 O ATOM 0 H SER A 30 4.145 14.671 -5.267 1.00 0.00 H new ATOM 0 HA SER A 30 5.875 14.639 -7.646 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.652 14.456 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.884 12.881 -5.151 1.00 0.00 H new ATOM 0 HG SER A 30 8.138 12.749 -5.682 1.00 0.00 H new ATOM 284 N ARG A 31 3.398 12.629 -7.291 1.00 0.00 N ATOM 285 CA ARG A 31 2.534 11.597 -7.891 1.00 0.00 C ATOM 286 C ARG A 31 2.990 10.187 -7.468 1.00 0.00 C ATOM 287 O ARG A 31 3.517 9.409 -8.265 1.00 0.00 O ATOM 288 CB ARG A 31 2.379 11.817 -9.409 1.00 0.00 C ATOM 289 CG ARG A 31 1.243 10.977 -10.018 1.00 0.00 C ATOM 290 CD ARG A 31 0.819 11.495 -11.401 1.00 0.00 C ATOM 291 NE ARG A 31 1.955 11.551 -12.345 1.00 0.00 N ATOM 292 CZ ARG A 31 2.455 12.633 -12.940 1.00 0.00 C ATOM 293 NH1 ARG A 31 1.965 13.842 -12.746 1.00 0.00 N ATOM 294 NH2 ARG A 31 3.481 12.511 -13.754 1.00 0.00 N ATOM 0 H ARG A 31 2.904 13.164 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 31 1.521 11.690 -7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.188 12.873 -9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.317 11.567 -9.906 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.566 9.939 -10.103 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.384 10.990 -9.347 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.042 10.848 -11.808 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.384 12.489 -11.298 1.00 0.00 H new ATOM 0 HE ARG A 31 2.406 10.663 -12.565 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.172 13.976 -12.119 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.379 14.643 -13.223 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.889 11.592 -13.926 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.869 13.335 -14.213 1.00 0.00 H new ATOM 308 N GLU A 32 2.803 9.884 -6.180 1.00 0.00 N ATOM 309 CA GLU A 32 3.271 8.669 -5.491 1.00 0.00 C ATOM 310 C GLU A 32 2.139 8.060 -4.636 1.00 0.00 C ATOM 311 O GLU A 32 1.179 8.762 -4.313 1.00 0.00 O ATOM 312 CB GLU A 32 4.483 8.995 -4.589 1.00 0.00 C ATOM 313 CG GLU A 32 5.574 9.823 -5.283 1.00 0.00 C ATOM 314 CD GLU A 32 6.810 10.018 -4.390 1.00 0.00 C ATOM 315 OE1 GLU A 32 6.683 10.565 -3.271 1.00 0.00 O ATOM 316 OE2 GLU A 32 7.927 9.627 -4.806 1.00 0.00 O ATOM 0 H GLU A 32 2.295 10.509 -5.554 1.00 0.00 H new ATOM 0 HA GLU A 32 3.572 7.945 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.133 9.537 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.920 8.062 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.870 9.328 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.169 10.797 -5.558 1.00 0.00 H new ATOM 323 N VAL A 33 2.253 6.782 -4.243 1.00 0.00 N ATOM 324 CA VAL A 33 1.246 6.086 -3.400 1.00 0.00 C ATOM 325 C VAL A 33 1.933 5.239 -2.331 1.00 0.00 C ATOM 326 O VAL A 33 2.884 4.519 -2.608 1.00 0.00 O ATOM 327 CB VAL A 33 0.223 5.249 -4.222 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.883 4.160 -5.088 1.00 0.00 C ATOM 329 CG2 VAL A 33 -0.869 4.590 -3.358 1.00 0.00 C ATOM 0 H VAL A 33 3.046 6.193 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 33 0.661 6.863 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.243 5.988 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.114 3.614 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.570 4.624 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.433 3.470 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.546 4.023 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.405 3.919 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.429 5.361 -2.829 1.00 0.00 H new ATOM 339 N TYR A 34 1.448 5.317 -1.095 1.00 0.00 N ATOM 340 CA TYR A 34 1.959 4.548 0.038 1.00 0.00 C ATOM 341 C TYR A 34 0.958 3.458 0.417 1.00 0.00 C ATOM 342 O TYR A 34 -0.239 3.723 0.502 1.00 0.00 O ATOM 343 CB TYR A 34 2.182 5.466 1.249 1.00 0.00 C ATOM 344 CG TYR A 34 3.232 6.552 1.090 1.00 0.00 C ATOM 345 CD1 TYR A 34 2.995 7.669 0.261 1.00 0.00 C ATOM 346 CD2 TYR A 34 4.435 6.471 1.818 1.00 0.00 C ATOM 347 CE1 TYR A 34 3.963 8.683 0.138 1.00 0.00 C ATOM 348 CE2 TYR A 34 5.397 7.495 1.721 1.00 0.00 C ATOM 349 CZ TYR A 34 5.168 8.601 0.870 1.00 0.00 C ATOM 350 OH TYR A 34 6.102 9.588 0.760 1.00 0.00 O ATOM 0 H TYR A 34 0.671 5.930 -0.847 1.00 0.00 H new ATOM 0 HA TYR A 34 2.908 4.095 -0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.233 5.942 1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.459 4.846 2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.065 7.746 -0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.621 5.618 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.784 9.524 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.309 7.436 2.296 1.00 0.00 H new ATOM 0 HH TYR A 34 6.870 9.377 1.331 1.00 0.00 H new ATOM 360 N MET A 35 1.462 2.264 0.724 1.00 0.00 N ATOM 361 CA MET A 35 0.799 1.287 1.588 1.00 0.00 C ATOM 362 C MET A 35 1.343 1.464 3.014 1.00 0.00 C ATOM 363 O MET A 35 2.480 1.897 3.195 1.00 0.00 O ATOM 364 CB MET A 35 1.064 -0.111 1.004 1.00 0.00 C ATOM 365 CG MET A 35 0.133 -1.227 1.499 1.00 0.00 C ATOM 366 SD MET A 35 0.498 -1.959 3.110 1.00 0.00 S ATOM 367 CE MET A 35 -0.907 -3.090 3.235 1.00 0.00 C ATOM 0 H MET A 35 2.363 1.941 0.371 1.00 0.00 H new ATOM 0 HA MET A 35 -0.281 1.426 1.634 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.985 -0.052 -0.082 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.092 -0.392 1.234 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.882 -0.830 1.531 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.139 -2.025 0.757 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.852 -3.636 4.177 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.836 -2.521 3.199 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.881 -3.795 2.404 1.00 0.00 H new ATOM 377 N HIS A 36 0.577 1.093 4.035 1.00 0.00 N ATOM 378 CA HIS A 36 0.988 1.175 5.447 1.00 0.00 C ATOM 379 C HIS A 36 2.341 0.479 5.759 1.00 0.00 C ATOM 380 O HIS A 36 3.059 0.893 6.673 1.00 0.00 O ATOM 381 CB HIS A 36 -0.153 0.592 6.294 1.00 0.00 C ATOM 382 CG HIS A 36 0.090 0.690 7.777 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.434 -0.376 8.611 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.024 1.833 8.517 1.00 0.00 C ATOM 385 CE1 HIS A 36 0.569 0.157 9.837 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.329 1.482 9.813 1.00 0.00 N ATOM 0 H HIS A 36 -0.364 0.720 3.911 1.00 0.00 H new ATOM 0 HA HIS A 36 1.167 2.222 5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.079 1.113 6.050 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.296 -0.455 6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.220 2.821 8.157 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.834 -0.402 10.722 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.367 2.114 10.613 1.00 0.00 H new ATOM 394 N GLU A 37 2.707 -0.538 4.968 1.00 0.00 N ATOM 395 CA GLU A 37 3.977 -1.269 5.064 1.00 0.00 C ATOM 396 C GLU A 37 5.091 -0.709 4.159 1.00 0.00 C ATOM 397 O GLU A 37 6.256 -1.010 4.420 1.00 0.00 O ATOM 398 CB GLU A 37 3.747 -2.759 4.729 1.00 0.00 C ATOM 399 CG GLU A 37 2.903 -3.495 5.781 1.00 0.00 C ATOM 400 CD GLU A 37 3.588 -3.568 7.159 1.00 0.00 C ATOM 401 OE1 GLU A 37 4.807 -3.858 7.237 1.00 0.00 O ATOM 402 OE2 GLU A 37 2.904 -3.355 8.189 1.00 0.00 O ATOM 0 H GLU A 37 2.108 -0.886 4.219 1.00 0.00 H new ATOM 0 HA GLU A 37 4.320 -1.147 6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.254 -2.834 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.712 -3.256 4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.942 -2.991 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.696 -4.506 5.430 1.00 0.00 H new ATOM 409 N LYS A 38 4.791 0.077 3.108 1.00 0.00 N ATOM 410 CA LYS A 38 5.791 0.484 2.098 1.00 0.00 C ATOM 411 C LYS A 38 5.429 1.666 1.178 1.00 0.00 C ATOM 412 O LYS A 38 4.286 1.834 0.756 1.00 0.00 O ATOM 413 CB LYS A 38 6.234 -0.743 1.268 1.00 0.00 C ATOM 414 CG LYS A 38 5.147 -1.499 0.494 1.00 0.00 C ATOM 415 CD LYS A 38 5.736 -2.853 0.049 1.00 0.00 C ATOM 416 CE LYS A 38 4.834 -3.666 -0.893 1.00 0.00 C ATOM 417 NZ LYS A 38 3.484 -3.953 -0.308 1.00 0.00 N ATOM 0 H LYS A 38 3.856 0.446 2.934 1.00 0.00 H new ATOM 0 HA LYS A 38 6.614 0.882 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.988 -0.413 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.720 -1.448 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.269 -1.653 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.823 -0.921 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.689 -2.674 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.946 -3.452 0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.710 -3.121 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.326 -4.608 -1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.921 -4.503 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.595 -4.498 0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.998 -3.057 -0.101 1.00 0.00 H new ATOM 431 N LYS A 39 6.448 2.442 0.784 1.00 0.00 N ATOM 432 CA LYS A 39 6.326 3.570 -0.160 1.00 0.00 C ATOM 433 C LYS A 39 6.488 3.110 -1.623 1.00 0.00 C ATOM 434 O LYS A 39 7.445 2.400 -1.937 1.00 0.00 O ATOM 435 CB LYS A 39 7.372 4.630 0.252 1.00 0.00 C ATOM 436 CG LYS A 39 7.319 5.935 -0.565 1.00 0.00 C ATOM 437 CD LYS A 39 8.333 5.991 -1.719 1.00 0.00 C ATOM 438 CE LYS A 39 8.121 7.301 -2.489 1.00 0.00 C ATOM 439 NZ LYS A 39 9.206 7.570 -3.470 1.00 0.00 N ATOM 0 H LYS A 39 7.402 2.303 1.118 1.00 0.00 H new ATOM 0 HA LYS A 39 5.328 4.005 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.231 4.871 1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.367 4.196 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.315 6.057 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.497 6.778 0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.351 5.939 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.200 5.136 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.165 7.260 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.062 8.128 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.875 8.262 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.037 7.951 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.466 6.686 -3.952 1.00 0.00 H new ATOM 453 N LEU A 40 5.585 3.535 -2.521 1.00 0.00 N ATOM 454 CA LEU A 40 5.638 3.262 -3.970 1.00 0.00 C ATOM 455 C LEU A 40 5.473 4.551 -4.797 1.00 0.00 C ATOM 456 O LEU A 40 4.873 5.530 -4.357 1.00 0.00 O ATOM 457 CB LEU A 40 4.561 2.225 -4.380 1.00 0.00 C ATOM 458 CG LEU A 40 4.435 0.981 -3.468 1.00 0.00 C ATOM 459 CD1 LEU A 40 3.252 1.116 -2.495 1.00 0.00 C ATOM 460 CD2 LEU A 40 4.258 -0.287 -4.310 1.00 0.00 C ATOM 0 H LEU A 40 4.775 4.094 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 40 6.623 2.847 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.594 2.728 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.777 1.887 -5.394 1.00 0.00 H new ATOM 0 HG LEU A 40 5.355 0.908 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.192 0.225 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.398 1.993 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.327 1.225 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.171 -1.152 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.355 -0.199 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.121 -0.414 -4.963 1.00 0.00 H new ATOM 472 N ASP A 41 5.980 4.539 -6.027 1.00 0.00 N ATOM 473 CA ASP A 41 6.023 5.701 -6.928 1.00 0.00 C ATOM 474 C ASP A 41 5.741 5.258 -8.375 1.00 0.00 C ATOM 475 O ASP A 41 6.646 5.009 -9.171 1.00 0.00 O ATOM 476 CB ASP A 41 7.384 6.395 -6.753 1.00 0.00 C ATOM 477 CG ASP A 41 7.703 7.500 -7.785 1.00 0.00 C ATOM 478 OD1 ASP A 41 6.774 8.094 -8.381 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.911 7.773 -7.987 1.00 0.00 O ATOM 0 H ASP A 41 6.385 3.700 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 41 5.246 6.425 -6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.424 6.831 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.167 5.639 -6.802 1.00 0.00 H new ATOM 484 N LEU A 42 4.450 5.120 -8.683 1.00 0.00 N ATOM 485 CA LEU A 42 3.916 4.654 -9.970 1.00 0.00 C ATOM 486 C LEU A 42 2.812 5.629 -10.450 1.00 0.00 C ATOM 487 O LEU A 42 2.387 6.509 -9.693 1.00 0.00 O ATOM 488 CB LEU A 42 3.487 3.172 -9.787 1.00 0.00 C ATOM 489 CG LEU A 42 4.048 2.125 -10.788 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.585 2.177 -10.836 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.704 0.701 -10.312 1.00 0.00 C ATOM 0 H LEU A 42 3.712 5.339 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 42 4.652 4.663 -10.774 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.775 2.862 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.399 3.130 -9.834 1.00 0.00 H new ATOM 0 HG LEU A 42 3.611 2.353 -11.760 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.952 1.434 -11.544 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.906 3.170 -11.152 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.987 1.964 -9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.102 -0.026 -11.021 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.145 0.529 -9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.622 0.590 -10.248 1.00 0.00 H new ATOM 503 N THR A 43 2.395 5.537 -11.721 1.00 0.00 N ATOM 504 CA THR A 43 1.660 6.621 -12.428 1.00 0.00 C ATOM 505 C THR A 43 0.179 6.566 -12.062 1.00 0.00 C ATOM 506 O THR A 43 -0.262 5.567 -11.515 1.00 0.00 O ATOM 507 CB THR A 43 1.920 6.559 -13.947 1.00 0.00 C ATOM 508 OG1 THR A 43 3.316 6.634 -14.135 1.00 0.00 O ATOM 509 CG2 THR A 43 1.330 7.713 -14.765 1.00 0.00 C ATOM 0 H THR A 43 2.553 4.711 -12.298 1.00 0.00 H new ATOM 0 HA THR A 43 2.032 7.592 -12.102 1.00 0.00 H new ATOM 0 HB THR A 43 1.446 5.640 -14.292 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.520 6.596 -15.093 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.571 7.572 -15.819 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.247 7.732 -14.639 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.752 8.657 -14.420 1.00 0.00 H new ATOM 517 N ARG A 44 -0.609 7.606 -12.359 1.00 0.00 N ATOM 518 CA ARG A 44 -2.018 7.758 -11.935 1.00 0.00 C ATOM 519 C ARG A 44 -2.845 6.469 -12.075 1.00 0.00 C ATOM 520 O ARG A 44 -3.535 6.085 -11.137 1.00 0.00 O ATOM 521 CB ARG A 44 -2.653 8.918 -12.723 1.00 0.00 C ATOM 522 CG ARG A 44 -3.848 9.607 -12.027 1.00 0.00 C ATOM 523 CD ARG A 44 -5.195 8.866 -12.044 1.00 0.00 C ATOM 524 NE ARG A 44 -5.683 8.649 -13.417 1.00 0.00 N ATOM 525 CZ ARG A 44 -6.770 7.968 -13.760 1.00 0.00 C ATOM 526 NH1 ARG A 44 -7.541 7.374 -12.875 1.00 0.00 N ATOM 527 NH2 ARG A 44 -7.102 7.883 -15.029 1.00 0.00 N ATOM 0 H ARG A 44 -0.279 8.393 -12.918 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.021 7.983 -10.868 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.885 9.667 -12.919 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.984 8.541 -13.691 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.575 9.787 -10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.993 10.582 -12.492 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.088 7.905 -11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.932 9.440 -11.483 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.136 9.060 -14.173 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.312 7.427 -11.882 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.367 6.861 -13.181 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.527 8.337 -15.738 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.935 7.363 -15.305 1.00 0.00 H new ATOM 541 N ALA A 45 -2.723 5.768 -13.205 1.00 0.00 N ATOM 542 CA ALA A 45 -3.335 4.457 -13.442 1.00 0.00 C ATOM 543 C ALA A 45 -2.895 3.392 -12.415 1.00 0.00 C ATOM 544 O ALA A 45 -3.741 2.792 -11.745 1.00 0.00 O ATOM 545 CB ALA A 45 -2.975 4.054 -14.877 1.00 0.00 C ATOM 0 H ALA A 45 -2.182 6.105 -14.001 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.416 4.525 -13.317 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.410 3.080 -15.101 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.367 4.796 -15.573 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.891 3.999 -14.978 1.00 0.00 H new ATOM 551 N GLU A 46 -1.583 3.202 -12.244 1.00 0.00 N ATOM 552 CA GLU A 46 -0.988 2.258 -11.294 1.00 0.00 C ATOM 553 C GLU A 46 -1.335 2.584 -9.833 1.00 0.00 C ATOM 554 O GLU A 46 -1.600 1.723 -8.992 1.00 0.00 O ATOM 555 CB GLU A 46 0.520 2.333 -11.460 1.00 0.00 C ATOM 556 CG GLU A 46 0.994 1.751 -12.784 1.00 0.00 C ATOM 557 CD GLU A 46 1.372 2.848 -13.782 1.00 0.00 C ATOM 558 OE1 GLU A 46 2.488 3.398 -13.639 1.00 0.00 O ATOM 559 OE2 GLU A 46 0.562 3.164 -14.681 1.00 0.00 O ATOM 0 H GLU A 46 -0.884 3.717 -12.780 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.384 1.265 -11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.838 3.373 -11.390 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.999 1.798 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.855 1.105 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.208 1.127 -13.209 1.00 0.00 H new ATOM 566 N TYR A 47 -1.368 3.876 -9.556 1.00 0.00 N ATOM 567 CA TYR A 47 -1.848 4.434 -8.301 1.00 0.00 C ATOM 568 C TYR A 47 -3.308 4.037 -8.070 1.00 0.00 C ATOM 569 O TYR A 47 -3.591 3.439 -7.034 1.00 0.00 O ATOM 570 CB TYR A 47 -1.603 5.956 -8.268 1.00 0.00 C ATOM 571 CG TYR A 47 -2.569 6.771 -7.409 1.00 0.00 C ATOM 572 CD1 TYR A 47 -2.893 6.360 -6.100 1.00 0.00 C ATOM 573 CD2 TYR A 47 -3.184 7.924 -7.937 1.00 0.00 C ATOM 574 CE1 TYR A 47 -3.826 7.078 -5.328 1.00 0.00 C ATOM 575 CE2 TYR A 47 -4.124 8.645 -7.177 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.457 8.220 -5.872 1.00 0.00 C ATOM 577 OH TYR A 47 -5.386 8.907 -5.147 1.00 0.00 O ATOM 0 H TYR A 47 -1.053 4.587 -10.216 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.285 4.018 -7.466 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.590 6.133 -7.908 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.649 6.334 -9.289 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.419 5.483 -5.684 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.932 8.257 -8.933 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.059 6.757 -4.323 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.592 9.525 -7.593 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.717 9.665 -5.673 1.00 0.00 H new ATOM 587 N GLU A 48 -4.200 4.299 -9.030 1.00 0.00 N ATOM 588 CA GLU A 48 -5.621 3.982 -8.919 1.00 0.00 C ATOM 589 C GLU A 48 -5.857 2.488 -8.649 1.00 0.00 C ATOM 590 O GLU A 48 -6.668 2.139 -7.787 1.00 0.00 O ATOM 591 CB GLU A 48 -6.371 4.398 -10.197 1.00 0.00 C ATOM 592 CG GLU A 48 -7.796 4.859 -9.881 1.00 0.00 C ATOM 593 CD GLU A 48 -7.821 6.298 -9.335 1.00 0.00 C ATOM 594 OE1 GLU A 48 -7.511 7.240 -10.103 1.00 0.00 O ATOM 595 OE2 GLU A 48 -8.189 6.498 -8.154 1.00 0.00 O ATOM 0 H GLU A 48 -3.950 4.742 -9.914 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.007 4.546 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.828 5.202 -10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.404 3.559 -10.891 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.406 4.801 -10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.243 4.185 -9.150 1.00 0.00 H new ATOM 602 N ILE A 49 -5.139 1.590 -9.344 1.00 0.00 N ATOM 603 CA ILE A 49 -5.302 0.155 -9.118 1.00 0.00 C ATOM 604 C ILE A 49 -4.827 -0.245 -7.721 1.00 0.00 C ATOM 605 O ILE A 49 -5.563 -0.954 -7.035 1.00 0.00 O ATOM 606 CB ILE A 49 -4.649 -0.690 -10.238 1.00 0.00 C ATOM 607 CG1 ILE A 49 -3.160 -0.388 -10.451 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.437 -0.570 -11.551 1.00 0.00 C ATOM 609 CD1 ILE A 49 -2.359 -1.352 -11.326 1.00 0.00 C ATOM 0 H ILE A 49 -4.451 1.833 -10.056 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.369 -0.065 -9.163 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.694 -1.725 -9.898 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.078 0.608 -10.887 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.682 -0.347 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.956 -1.174 -12.321 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.457 -0.923 -11.397 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.459 0.473 -11.868 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.325 -1.014 -11.387 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.389 -2.350 -10.889 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.791 -1.380 -12.326 1.00 0.00 H new ATOM 621 N LEU A 50 -3.644 0.205 -7.274 1.00 0.00 N ATOM 622 CA LEU A 50 -3.111 -0.217 -5.978 1.00 0.00 C ATOM 623 C LEU A 50 -3.905 0.416 -4.828 1.00 0.00 C ATOM 624 O LEU A 50 -4.236 -0.265 -3.861 1.00 0.00 O ATOM 625 CB LEU A 50 -1.605 0.114 -5.945 1.00 0.00 C ATOM 626 CG LEU A 50 -0.865 -0.399 -4.689 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.597 -0.698 -5.047 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.870 0.615 -3.530 1.00 0.00 C ATOM 0 H LEU A 50 -3.047 0.854 -7.787 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.222 -1.293 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.132 -0.313 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.482 1.195 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.394 -1.293 -4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.121 -1.060 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.632 -1.459 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.077 0.212 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.335 0.196 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.380 1.535 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.898 0.833 -3.242 1.00 0.00 H new ATOM 640 N SER A 51 -4.255 1.696 -4.924 1.00 0.00 N ATOM 641 CA SER A 51 -5.089 2.373 -3.932 1.00 0.00 C ATOM 642 C SER A 51 -6.462 1.702 -3.775 1.00 0.00 C ATOM 643 O SER A 51 -6.860 1.415 -2.641 1.00 0.00 O ATOM 644 CB SER A 51 -5.213 3.868 -4.267 1.00 0.00 C ATOM 645 OG SER A 51 -6.040 4.128 -5.390 1.00 0.00 O ATOM 0 H SER A 51 -3.967 2.297 -5.696 1.00 0.00 H new ATOM 0 HA SER A 51 -4.596 2.284 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.613 4.395 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.219 4.274 -4.455 1.00 0.00 H new ATOM 0 HG SER A 51 -6.031 3.353 -5.990 1.00 0.00 H new ATOM 651 N LEU A 52 -7.150 1.343 -4.875 1.00 0.00 N ATOM 652 CA LEU A 52 -8.406 0.598 -4.770 1.00 0.00 C ATOM 653 C LEU A 52 -8.168 -0.794 -4.171 1.00 0.00 C ATOM 654 O LEU A 52 -8.955 -1.232 -3.337 1.00 0.00 O ATOM 655 CB LEU A 52 -9.072 0.527 -6.153 1.00 0.00 C ATOM 656 CG LEU A 52 -10.615 0.460 -6.190 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.194 -0.813 -5.561 1.00 0.00 C ATOM 658 CD2 LEU A 52 -11.273 1.698 -5.562 1.00 0.00 C ATOM 0 H LEU A 52 -6.859 1.555 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.083 1.117 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.758 1.400 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.683 -0.350 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.858 0.436 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.282 -0.788 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.819 -1.686 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.893 -0.871 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.357 1.600 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.966 1.784 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.963 2.590 -6.106 1.00 0.00 H new ATOM 670 N LEU A 53 -7.070 -1.471 -4.530 1.00 0.00 N ATOM 671 CA LEU A 53 -6.735 -2.795 -3.998 1.00 0.00 C ATOM 672 C LEU A 53 -6.587 -2.793 -2.471 1.00 0.00 C ATOM 673 O LEU A 53 -7.121 -3.673 -1.800 1.00 0.00 O ATOM 674 CB LEU A 53 -5.444 -3.279 -4.669 1.00 0.00 C ATOM 675 CG LEU A 53 -5.159 -4.769 -4.442 1.00 0.00 C ATOM 676 CD1 LEU A 53 -6.099 -5.644 -5.290 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.689 -5.022 -4.757 1.00 0.00 C ATOM 0 H LEU A 53 -6.388 -1.114 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.556 -3.476 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.507 -3.088 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.606 -2.695 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.351 -5.040 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.877 -6.696 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.134 -5.440 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.953 -5.417 -6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.460 -6.077 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.488 -4.755 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.066 -4.416 -4.099 1.00 0.00 H new ATOM 689 N ILE A 54 -5.900 -1.800 -1.902 1.00 0.00 N ATOM 690 CA ILE A 54 -5.829 -1.648 -0.438 1.00 0.00 C ATOM 691 C ILE A 54 -7.193 -1.227 0.143 1.00 0.00 C ATOM 692 O ILE A 54 -7.570 -1.701 1.215 1.00 0.00 O ATOM 693 CB ILE A 54 -4.699 -0.665 -0.049 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.307 -1.009 -0.630 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.587 -0.568 1.484 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.775 -2.406 -0.299 1.00 0.00 C ATOM 0 H ILE A 54 -5.386 -1.091 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.585 -2.616 0.001 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.990 0.288 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.350 -0.905 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.590 -0.272 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.789 0.126 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.530 -0.209 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.362 -1.552 1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.794 -2.540 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.690 -2.516 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.462 -3.158 -0.687 1.00 0.00 H new ATOM 708 N SER A 55 -7.961 -0.393 -0.562 1.00 0.00 N ATOM 709 CA SER A 55 -9.305 0.025 -0.132 1.00 0.00 C ATOM 710 C SER A 55 -10.302 -1.149 0.011 1.00 0.00 C ATOM 711 O SER A 55 -11.039 -1.196 1.001 1.00 0.00 O ATOM 712 CB SER A 55 -9.860 1.083 -1.100 1.00 0.00 C ATOM 713 OG SER A 55 -10.960 1.796 -0.540 1.00 0.00 O ATOM 0 H SER A 55 -7.671 0.015 -1.451 1.00 0.00 H new ATOM 0 HA SER A 55 -9.194 0.452 0.865 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.069 1.785 -1.362 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.175 0.599 -2.024 1.00 0.00 H new ATOM 0 HG SER A 55 -11.282 2.459 -1.185 1.00 0.00 H new ATOM 719 N LYS A 56 -10.329 -2.118 -0.924 1.00 0.00 N ATOM 720 CA LYS A 56 -11.110 -3.359 -0.755 1.00 0.00 C ATOM 721 C LYS A 56 -10.461 -4.336 0.247 1.00 0.00 C ATOM 722 O LYS A 56 -11.111 -4.693 1.231 1.00 0.00 O ATOM 723 CB LYS A 56 -11.458 -4.059 -2.095 1.00 0.00 C ATOM 724 CG LYS A 56 -10.398 -4.058 -3.212 1.00 0.00 C ATOM 725 CD LYS A 56 -10.467 -5.287 -4.142 1.00 0.00 C ATOM 726 CE LYS A 56 -10.188 -4.938 -5.620 1.00 0.00 C ATOM 727 NZ LYS A 56 -11.433 -4.517 -6.321 1.00 0.00 N ATOM 0 H LYS A 56 -9.818 -2.065 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.059 -3.040 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.708 -5.097 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.360 -3.591 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.516 -3.155 -3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.408 -4.013 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.744 -6.031 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.454 -5.742 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.450 -4.138 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.758 -5.803 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.188 -4.083 -7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.037 -5.347 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.944 -3.826 -5.735 1.00 0.00 H new ATOM 741 N LYS A 57 -9.214 -4.755 -0.029 1.00 0.00 N ATOM 742 CA LYS A 57 -8.366 -5.789 0.614 1.00 0.00 C ATOM 743 C LYS A 57 -7.427 -6.415 -0.438 1.00 0.00 C ATOM 744 O LYS A 57 -7.804 -6.562 -1.601 1.00 0.00 O ATOM 745 CB LYS A 57 -9.187 -6.849 1.391 1.00 0.00 C ATOM 746 CG LYS A 57 -8.454 -8.084 1.959 1.00 0.00 C ATOM 747 CD LYS A 57 -8.669 -9.369 1.139 1.00 0.00 C ATOM 748 CE LYS A 57 -10.103 -9.902 1.326 1.00 0.00 C ATOM 749 NZ LYS A 57 -10.321 -11.204 0.633 1.00 0.00 N ATOM 0 H LYS A 57 -8.709 -4.326 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.756 -5.302 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.676 -6.343 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.975 -7.208 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.386 -7.870 2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.791 -8.256 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.485 -9.168 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.950 -10.128 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.307 -10.021 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.813 -9.168 0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.299 -11.520 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.153 -11.087 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.663 -11.914 1.013 1.00 0.00 H new ATOM 763 N GLY A 58 -6.220 -6.806 -0.004 1.00 0.00 N ATOM 764 CA GLY A 58 -5.079 -7.165 -0.855 1.00 0.00 C ATOM 765 C GLY A 58 -5.374 -8.134 -2.006 1.00 0.00 C ATOM 766 O GLY A 58 -4.974 -7.843 -3.129 1.00 0.00 O ATOM 0 H GLY A 58 -6.005 -6.883 0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.663 -6.249 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.306 -7.606 -0.225 1.00 0.00 H new ATOM 770 N TYR A 59 -6.087 -9.243 -1.757 1.00 0.00 N ATOM 771 CA TYR A 59 -6.643 -10.128 -2.791 1.00 0.00 C ATOM 772 C TYR A 59 -5.523 -10.715 -3.679 1.00 0.00 C ATOM 773 O TYR A 59 -4.362 -10.804 -3.274 1.00 0.00 O ATOM 774 CB TYR A 59 -7.773 -9.341 -3.506 1.00 0.00 C ATOM 775 CG TYR A 59 -8.608 -10.074 -4.540 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.241 -11.291 -4.219 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.721 -9.553 -5.845 1.00 0.00 C ATOM 778 CE1 TYR A 59 -9.973 -11.989 -5.199 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.453 -10.245 -6.829 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.082 -11.470 -6.508 1.00 0.00 C ATOM 781 OH TYR A 59 -10.789 -12.152 -7.453 1.00 0.00 O ATOM 0 H TYR A 59 -6.298 -9.556 -0.809 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.105 -11.027 -2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.449 -8.959 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.321 -8.477 -3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.165 -11.690 -3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.243 -8.617 -6.092 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.452 -12.924 -4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.534 -9.841 -7.827 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.766 -11.658 -8.299 1.00 0.00 H new ATOM 791 N VAL A 60 -5.863 -11.148 -4.887 1.00 0.00 N ATOM 792 CA VAL A 60 -4.894 -11.466 -5.940 1.00 0.00 C ATOM 793 C VAL A 60 -5.112 -10.493 -7.099 1.00 0.00 C ATOM 794 O VAL A 60 -6.199 -10.412 -7.668 1.00 0.00 O ATOM 795 CB VAL A 60 -4.981 -12.941 -6.363 1.00 0.00 C ATOM 796 CG1 VAL A 60 -3.869 -13.258 -7.380 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.822 -13.889 -5.161 1.00 0.00 C ATOM 0 H VAL A 60 -6.832 -11.292 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.877 -11.340 -5.568 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.966 -13.095 -6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.935 -14.305 -7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.988 -12.624 -8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.896 -13.070 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.889 -14.922 -5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.852 -13.724 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.612 -13.693 -4.436 1.00 0.00 H new ATOM 807 N PHE A 61 -4.076 -9.704 -7.377 1.00 0.00 N ATOM 808 CA PHE A 61 -4.102 -8.543 -8.261 1.00 0.00 C ATOM 809 C PHE A 61 -3.900 -9.023 -9.715 1.00 0.00 C ATOM 810 O PHE A 61 -2.778 -9.235 -10.171 1.00 0.00 O ATOM 811 CB PHE A 61 -3.020 -7.588 -7.709 1.00 0.00 C ATOM 812 CG PHE A 61 -3.078 -6.094 -7.956 1.00 0.00 C ATOM 813 CD1 PHE A 61 -4.251 -5.406 -8.325 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.934 -5.350 -7.612 1.00 0.00 C ATOM 815 CE1 PHE A 61 -4.249 -4.003 -8.405 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.906 -3.955 -7.753 1.00 0.00 C ATOM 817 CZ PHE A 61 -3.068 -3.284 -8.155 1.00 0.00 C ATOM 0 H PHE A 61 -3.153 -9.865 -6.973 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.047 -8.000 -8.285 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.995 -7.729 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.063 -7.936 -8.098 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.153 -5.958 -8.547 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.062 -5.862 -7.233 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.157 -3.476 -8.659 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.999 -3.404 -7.554 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.056 -2.211 -8.273 1.00 0.00 H new ATOM 827 N SER A 62 -5.008 -9.316 -10.397 1.00 0.00 N ATOM 828 CA SER A 62 -5.065 -10.052 -11.679 1.00 0.00 C ATOM 829 C SER A 62 -5.199 -9.135 -12.903 1.00 0.00 C ATOM 830 O SER A 62 -5.876 -8.114 -12.816 1.00 0.00 O ATOM 831 CB SER A 62 -6.325 -10.927 -11.678 1.00 0.00 C ATOM 832 OG SER A 62 -6.368 -11.805 -10.560 1.00 0.00 O ATOM 0 H SER A 62 -5.932 -9.040 -10.065 1.00 0.00 H new ATOM 0 HA SER A 62 -4.134 -10.613 -11.754 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.209 -10.289 -11.671 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.361 -11.511 -12.598 1.00 0.00 H new ATOM 0 HG SER A 62 -6.469 -11.282 -9.737 1.00 0.00 H new ATOM 838 N ARG A 63 -4.694 -9.528 -14.084 1.00 0.00 N ATOM 839 CA ARG A 63 -4.761 -8.720 -15.322 1.00 0.00 C ATOM 840 C ARG A 63 -6.168 -8.162 -15.652 1.00 0.00 C ATOM 841 O ARG A 63 -6.315 -6.970 -15.924 1.00 0.00 O ATOM 842 CB ARG A 63 -4.211 -9.508 -16.528 1.00 0.00 C ATOM 843 CG ARG A 63 -2.894 -10.276 -16.304 1.00 0.00 C ATOM 844 CD ARG A 63 -2.412 -10.907 -17.621 1.00 0.00 C ATOM 845 NE ARG A 63 -1.337 -11.894 -17.401 1.00 0.00 N ATOM 846 CZ ARG A 63 -0.023 -11.685 -17.358 1.00 0.00 C ATOM 847 NH1 ARG A 63 0.504 -10.481 -17.428 1.00 0.00 N ATOM 848 NH2 ARG A 63 0.792 -12.711 -17.244 1.00 0.00 N ATOM 0 H ARG A 63 -4.222 -10.423 -14.212 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.131 -7.853 -15.125 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.972 -10.221 -16.846 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.063 -8.811 -17.353 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.132 -9.599 -15.917 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.041 -11.053 -15.554 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.252 -11.391 -18.120 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.053 -10.123 -18.288 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.639 -12.859 -17.265 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.100 -9.664 -17.519 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.517 -10.365 -17.391 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.416 -13.658 -17.189 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.800 -12.560 -17.210 1.00 0.00 H new ATOM 862 N GLU A 64 -7.211 -8.997 -15.574 1.00 0.00 N ATOM 863 CA GLU A 64 -8.612 -8.583 -15.797 1.00 0.00 C ATOM 864 C GLU A 64 -9.111 -7.628 -14.701 1.00 0.00 C ATOM 865 O GLU A 64 -9.695 -6.586 -14.983 1.00 0.00 O ATOM 866 CB GLU A 64 -9.501 -9.834 -15.833 1.00 0.00 C ATOM 867 CG GLU A 64 -10.877 -9.557 -16.450 1.00 0.00 C ATOM 868 CD GLU A 64 -11.713 -10.843 -16.521 1.00 0.00 C ATOM 869 OE1 GLU A 64 -11.628 -11.572 -17.539 1.00 0.00 O ATOM 870 OE2 GLU A 64 -12.463 -11.140 -15.561 1.00 0.00 O ATOM 0 H GLU A 64 -7.112 -9.988 -15.353 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.662 -8.048 -16.746 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.000 -10.616 -16.405 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.630 -10.214 -14.819 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.402 -8.809 -15.856 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.755 -9.142 -17.450 1.00 0.00 H new ATOM 877 N SER A 65 -8.842 -7.953 -13.434 1.00 0.00 N ATOM 878 CA SER A 65 -9.182 -7.069 -12.299 1.00 0.00 C ATOM 879 C SER A 65 -8.496 -5.700 -12.428 1.00 0.00 C ATOM 880 O SER A 65 -9.129 -4.669 -12.224 1.00 0.00 O ATOM 881 CB SER A 65 -8.807 -7.721 -10.959 1.00 0.00 C ATOM 882 OG SER A 65 -9.657 -8.821 -10.644 1.00 0.00 O ATOM 0 H SER A 65 -8.388 -8.824 -13.160 1.00 0.00 H new ATOM 0 HA SER A 65 -10.261 -6.915 -12.323 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.772 -8.062 -10.999 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.867 -6.977 -10.164 1.00 0.00 H new ATOM 0 HG SER A 65 -9.385 -9.209 -9.786 1.00 0.00 H new ATOM 888 N ILE A 66 -7.232 -5.663 -12.857 1.00 0.00 N ATOM 889 CA ILE A 66 -6.499 -4.415 -13.180 1.00 0.00 C ATOM 890 C ILE A 66 -7.204 -3.616 -14.289 1.00 0.00 C ATOM 891 O ILE A 66 -7.411 -2.407 -14.163 1.00 0.00 O ATOM 892 CB ILE A 66 -5.056 -4.758 -13.611 1.00 0.00 C ATOM 893 CG1 ILE A 66 -4.257 -5.454 -12.489 1.00 0.00 C ATOM 894 CG2 ILE A 66 -4.336 -3.513 -14.166 1.00 0.00 C ATOM 895 CD1 ILE A 66 -3.520 -4.496 -11.567 1.00 0.00 C ATOM 0 H ILE A 66 -6.673 -6.505 -12.995 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.478 -3.793 -12.285 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.119 -5.484 -14.422 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.940 -6.061 -11.894 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.535 -6.135 -12.940 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.322 -3.781 -14.462 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.879 -3.134 -15.032 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.297 -2.742 -13.397 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.983 -5.063 -10.806 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.811 -3.906 -12.147 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.237 -3.831 -11.085 1.00 0.00 H new ATOM 907 N ALA A 67 -7.586 -4.302 -15.362 1.00 0.00 N ATOM 908 CA ALA A 67 -8.338 -3.773 -16.497 1.00 0.00 C ATOM 909 C ALA A 67 -9.775 -3.364 -16.125 1.00 0.00 C ATOM 910 O ALA A 67 -10.409 -2.629 -16.876 1.00 0.00 O ATOM 911 CB ALA A 67 -8.331 -4.824 -17.611 1.00 0.00 C ATOM 0 H ALA A 67 -7.369 -5.293 -15.470 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.854 -2.858 -16.838 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.888 -4.448 -18.469 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.303 -5.032 -17.908 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.797 -5.741 -17.249 1.00 0.00 H new ATOM 917 N ILE A 68 -10.292 -3.796 -14.971 1.00 0.00 N ATOM 918 CA ILE A 68 -11.496 -3.218 -14.347 1.00 0.00 C ATOM 919 C ILE A 68 -11.135 -1.982 -13.495 1.00 0.00 C ATOM 920 O ILE A 68 -11.857 -0.983 -13.544 1.00 0.00 O ATOM 921 CB ILE A 68 -12.258 -4.313 -13.555 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.872 -5.343 -14.536 1.00 0.00 C ATOM 923 CG2 ILE A 68 -13.361 -3.714 -12.661 1.00 0.00 C ATOM 924 CD1 ILE A 68 -13.329 -6.647 -13.867 1.00 0.00 C ATOM 0 H ILE A 68 -9.886 -4.563 -14.435 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.174 -2.858 -15.121 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.540 -4.810 -12.903 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.724 -4.887 -15.039 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.137 -5.580 -15.305 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.869 -4.515 -12.124 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.914 -3.024 -11.945 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.081 -3.179 -13.280 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.747 -7.315 -14.620 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.476 -7.128 -13.388 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -14.089 -6.425 -13.118 1.00 0.00 H new ATOM 936 N GLU A 69 -10.032 -2.022 -12.738 1.00 0.00 N ATOM 937 CA GLU A 69 -9.715 -1.019 -11.715 1.00 0.00 C ATOM 938 C GLU A 69 -9.007 0.255 -12.218 1.00 0.00 C ATOM 939 O GLU A 69 -9.228 1.313 -11.625 1.00 0.00 O ATOM 940 CB GLU A 69 -8.917 -1.655 -10.559 1.00 0.00 C ATOM 941 CG GLU A 69 -9.521 -1.325 -9.198 1.00 0.00 C ATOM 942 CD GLU A 69 -10.893 -1.993 -9.010 1.00 0.00 C ATOM 943 OE1 GLU A 69 -10.927 -3.204 -8.691 1.00 0.00 O ATOM 944 OE2 GLU A 69 -11.938 -1.315 -9.147 1.00 0.00 O ATOM 0 H GLU A 69 -9.329 -2.757 -12.819 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.688 -0.674 -11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.889 -2.737 -10.690 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.886 -1.303 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.844 -1.654 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.625 -0.245 -9.098 1.00 0.00 H new ATOM 951 N SER A 70 -8.192 0.212 -13.286 1.00 0.00 N ATOM 952 CA SER A 70 -7.733 1.464 -13.947 1.00 0.00 C ATOM 953 C SER A 70 -8.312 1.604 -15.366 1.00 0.00 C ATOM 954 O SER A 70 -9.015 2.583 -15.634 1.00 0.00 O ATOM 955 CB SER A 70 -6.196 1.647 -13.935 1.00 0.00 C ATOM 956 OG SER A 70 -5.814 2.624 -14.895 1.00 0.00 O ATOM 0 H SER A 70 -7.840 -0.648 -13.707 1.00 0.00 H new ATOM 0 HA SER A 70 -8.130 2.278 -13.341 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.866 1.953 -12.942 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.707 0.698 -14.156 1.00 0.00 H new ATOM 0 HG SER A 70 -5.343 2.188 -15.636 1.00 0.00 H new ATOM 962 N GLU A 71 -8.032 0.649 -16.269 1.00 0.00 N ATOM 963 CA GLU A 71 -8.616 0.580 -17.621 1.00 0.00 C ATOM 964 C GLU A 71 -8.135 1.717 -18.561 1.00 0.00 C ATOM 965 O GLU A 71 -8.807 2.088 -19.524 1.00 0.00 O ATOM 966 CB GLU A 71 -10.152 0.469 -17.527 1.00 0.00 C ATOM 967 CG GLU A 71 -10.792 -0.182 -18.768 1.00 0.00 C ATOM 968 CD GLU A 71 -12.295 -0.470 -18.587 1.00 0.00 C ATOM 969 OE1 GLU A 71 -13.007 0.306 -17.904 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.802 -1.447 -19.191 1.00 0.00 O ATOM 0 H GLU A 71 -7.381 -0.112 -16.077 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.245 -0.327 -18.098 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.414 -0.113 -16.644 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.574 1.465 -17.389 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.654 0.474 -19.628 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.273 -1.114 -18.991 1.00 0.00 H new ATOM 977 N SER A 72 -6.942 2.273 -18.333 1.00 0.00 N ATOM 978 CA SER A 72 -6.289 3.224 -19.257 1.00 0.00 C ATOM 979 C SER A 72 -5.744 2.564 -20.551 1.00 0.00 C ATOM 980 O SER A 72 -5.163 3.236 -21.410 1.00 0.00 O ATOM 981 CB SER A 72 -5.155 3.945 -18.511 1.00 0.00 C ATOM 982 OG SER A 72 -4.169 3.025 -18.054 1.00 0.00 O ATOM 0 H SER A 72 -6.392 2.079 -17.496 1.00 0.00 H new ATOM 0 HA SER A 72 -7.052 3.931 -19.583 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.692 4.679 -19.170 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.566 4.492 -17.663 1.00 0.00 H new ATOM 0 HG SER A 72 -3.460 3.512 -17.585 1.00 0.00 H new ATOM 988 N ILE A 73 -5.908 1.242 -20.686 1.00 0.00 N ATOM 989 CA ILE A 73 -5.216 0.360 -21.643 1.00 0.00 C ATOM 990 C ILE A 73 -6.216 -0.216 -22.659 1.00 0.00 C ATOM 991 O ILE A 73 -7.311 -0.644 -22.287 1.00 0.00 O ATOM 992 CB ILE A 73 -4.485 -0.765 -20.860 1.00 0.00 C ATOM 993 CG1 ILE A 73 -3.679 -0.241 -19.650 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.594 -1.604 -21.791 1.00 0.00 C ATOM 995 CD1 ILE A 73 -2.504 0.687 -19.995 1.00 0.00 C ATOM 0 H ILE A 73 -6.564 0.727 -20.098 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.476 0.930 -22.204 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.267 -1.407 -20.455 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.359 0.292 -18.985 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.294 -1.096 -19.093 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.096 -2.383 -21.213 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.208 -2.063 -22.566 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.845 -0.961 -22.255 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.005 0.998 -19.077 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.796 0.156 -20.631 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.877 1.566 -20.521 1.00 0.00 H new ATOM 1007 N ASN A 74 -5.848 -0.230 -23.946 1.00 0.00 N ATOM 1008 CA ASN A 74 -6.758 -0.594 -25.042 1.00 0.00 C ATOM 1009 C ASN A 74 -7.244 -2.071 -25.006 1.00 0.00 C ATOM 1010 O ASN A 74 -8.466 -2.270 -24.986 1.00 0.00 O ATOM 1011 CB ASN A 74 -6.125 -0.179 -26.384 1.00 0.00 C ATOM 1012 CG ASN A 74 -7.007 -0.556 -27.572 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -6.887 -1.637 -28.134 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -7.931 0.304 -27.964 1.00 0.00 N ATOM 0 H ASN A 74 -4.908 0.011 -24.259 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.684 -0.035 -24.910 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.954 0.897 -26.387 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.151 -0.657 -26.489 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.550 0.069 -28.740 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.025 1.203 -27.491 1.00 0.00 H new ATOM 1021 N PRO A 75 -6.366 -3.101 -24.987 1.00 0.00 N ATOM 1022 CA PRO A 75 -6.788 -4.497 -24.861 1.00 0.00 C ATOM 1023 C PRO A 75 -7.259 -4.814 -23.434 1.00 0.00 C ATOM 1024 O PRO A 75 -6.581 -4.482 -22.462 1.00 0.00 O ATOM 1025 CB PRO A 75 -5.569 -5.340 -25.255 1.00 0.00 C ATOM 1026 CG PRO A 75 -4.388 -4.438 -24.904 1.00 0.00 C ATOM 1027 CD PRO A 75 -4.930 -3.049 -25.240 1.00 0.00 C ATOM 0 HA PRO A 75 -7.641 -4.714 -25.505 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.535 -6.280 -24.704 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.581 -5.593 -26.315 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.109 -4.523 -23.854 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.502 -4.682 -25.490 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.454 -2.286 -24.625 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.727 -2.793 -26.280 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.391 -5.517 -23.313 1.00 0.00 N ATOM 1036 CA GLU A 76 -8.985 -5.934 -22.034 1.00 0.00 C ATOM 1037 C GLU A 76 -8.127 -6.947 -21.247 1.00 0.00 C ATOM 1038 O GLU A 76 -8.297 -7.101 -20.039 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.401 -6.477 -22.291 1.00 0.00 C ATOM 1040 CG GLU A 76 -10.445 -7.785 -23.097 1.00 0.00 C ATOM 1041 CD GLU A 76 -11.895 -8.206 -23.374 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -12.490 -8.940 -22.549 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -12.454 -7.814 -24.427 1.00 0.00 O ATOM 0 H GLU A 76 -8.934 -5.820 -24.121 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.033 -5.053 -21.394 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.894 -6.639 -21.332 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.977 -5.719 -22.821 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.913 -7.655 -24.039 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.931 -8.574 -22.547 1.00 0.00 H new ATOM 1050 N SER A 77 -7.177 -7.614 -21.908 1.00 0.00 N ATOM 1051 CA SER A 77 -6.184 -8.479 -21.254 1.00 0.00 C ATOM 1052 C SER A 77 -5.055 -7.682 -20.574 1.00 0.00 C ATOM 1053 O SER A 77 -4.409 -8.207 -19.672 1.00 0.00 O ATOM 1054 CB SER A 77 -5.573 -9.444 -22.284 1.00 0.00 C ATOM 1055 OG SER A 77 -6.574 -10.218 -22.941 1.00 0.00 O ATOM 0 H SER A 77 -7.072 -7.570 -22.922 1.00 0.00 H new ATOM 0 HA SER A 77 -6.710 -9.032 -20.476 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.008 -8.877 -23.024 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.868 -10.109 -21.786 1.00 0.00 H new ATOM 0 HG SER A 77 -6.150 -10.818 -23.589 1.00 0.00 H new ATOM 1061 N SER A 78 -4.796 -6.431 -20.995 1.00 0.00 N ATOM 1062 CA SER A 78 -3.836 -5.482 -20.384 1.00 0.00 C ATOM 1063 C SER A 78 -2.399 -6.018 -20.186 1.00 0.00 C ATOM 1064 O SER A 78 -1.647 -5.502 -19.359 1.00 0.00 O ATOM 1065 CB SER A 78 -4.429 -4.902 -19.086 1.00 0.00 C ATOM 1066 OG SER A 78 -5.466 -3.976 -19.384 1.00 0.00 O ATOM 0 H SER A 78 -5.269 -6.032 -21.806 1.00 0.00 H new ATOM 0 HA SER A 78 -3.701 -4.684 -21.114 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.820 -5.708 -18.466 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.646 -4.408 -18.510 1.00 0.00 H new ATOM 0 HG SER A 78 -5.801 -4.140 -20.290 1.00 0.00 H new ATOM 1072 N ASN A 79 -1.985 -7.048 -20.934 1.00 0.00 N ATOM 1073 CA ASN A 79 -0.787 -7.848 -20.644 1.00 0.00 C ATOM 1074 C ASN A 79 0.495 -7.004 -20.480 1.00 0.00 C ATOM 1075 O ASN A 79 1.216 -7.151 -19.493 1.00 0.00 O ATOM 1076 CB ASN A 79 -0.646 -8.899 -21.759 1.00 0.00 C ATOM 1077 CG ASN A 79 0.542 -9.830 -21.530 1.00 0.00 C ATOM 1078 OD1 ASN A 79 0.535 -10.651 -20.622 1.00 0.00 O ATOM 1079 ND2 ASN A 79 1.586 -9.718 -22.333 1.00 0.00 N ATOM 0 H ASN A 79 -2.480 -7.355 -21.771 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.914 -8.332 -19.676 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.561 -9.489 -21.817 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.530 -8.395 -22.718 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.399 -10.320 -22.200 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.579 -9.030 -23.086 1.00 0.00 H new ATOM 1086 N LYS A 80 0.744 -6.061 -21.402 1.00 0.00 N ATOM 1087 CA LYS A 80 1.912 -5.165 -21.362 1.00 0.00 C ATOM 1088 C LYS A 80 1.784 -4.070 -20.297 1.00 0.00 C ATOM 1089 O LYS A 80 2.796 -3.663 -19.729 1.00 0.00 O ATOM 1090 CB LYS A 80 2.131 -4.604 -22.783 1.00 0.00 C ATOM 1091 CG LYS A 80 3.498 -3.938 -23.029 1.00 0.00 C ATOM 1092 CD LYS A 80 4.671 -4.932 -22.939 1.00 0.00 C ATOM 1093 CE LYS A 80 5.976 -4.368 -23.528 1.00 0.00 C ATOM 1094 NZ LYS A 80 6.544 -3.246 -22.728 1.00 0.00 N ATOM 0 H LYS A 80 0.135 -5.897 -22.204 1.00 0.00 H new ATOM 0 HA LYS A 80 2.794 -5.729 -21.058 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.008 -5.417 -23.499 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.348 -3.875 -22.992 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.498 -3.472 -24.014 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.646 -3.142 -22.299 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.835 -5.200 -21.895 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.406 -5.849 -23.466 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.713 -5.168 -23.594 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.789 -4.023 -24.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.421 -2.910 -23.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.856 -2.467 -22.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.752 -3.577 -21.764 1.00 0.00 H new ATOM 1108 N SER A 81 0.563 -3.667 -19.927 1.00 0.00 N ATOM 1109 CA SER A 81 0.378 -2.884 -18.702 1.00 0.00 C ATOM 1110 C SER A 81 0.835 -3.694 -17.488 1.00 0.00 C ATOM 1111 O SER A 81 1.724 -3.237 -16.787 1.00 0.00 O ATOM 1112 CB SER A 81 -1.069 -2.411 -18.550 1.00 0.00 C ATOM 1113 OG SER A 81 -1.214 -1.548 -17.429 1.00 0.00 O ATOM 0 H SER A 81 -0.293 -3.865 -20.445 1.00 0.00 H new ATOM 0 HA SER A 81 0.996 -1.989 -18.770 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.381 -1.891 -19.455 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.726 -3.273 -18.436 1.00 0.00 H new ATOM 0 HG SER A 81 -2.166 -1.388 -17.261 1.00 0.00 H new ATOM 1119 N ILE A 82 0.368 -4.931 -17.275 1.00 0.00 N ATOM 1120 CA ILE A 82 0.802 -5.714 -16.096 1.00 0.00 C ATOM 1121 C ILE A 82 2.324 -5.963 -16.099 1.00 0.00 C ATOM 1122 O ILE A 82 2.939 -5.893 -15.036 1.00 0.00 O ATOM 1123 CB ILE A 82 -0.071 -6.982 -15.893 1.00 0.00 C ATOM 1124 CG1 ILE A 82 -1.439 -6.619 -15.267 1.00 0.00 C ATOM 1125 CG2 ILE A 82 0.606 -7.999 -14.956 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -2.406 -5.924 -16.231 1.00 0.00 C ATOM 0 H ILE A 82 -0.296 -5.409 -17.885 1.00 0.00 H new ATOM 0 HA ILE A 82 0.626 -5.114 -15.203 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.203 -7.420 -16.882 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.908 -7.529 -14.893 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.272 -5.970 -14.407 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.037 -8.871 -14.840 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.561 -8.306 -15.382 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.774 -7.540 -13.982 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.340 -5.704 -15.714 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.960 -4.995 -16.586 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.606 -6.578 -17.080 1.00 0.00 H new ATOM 1138 N ASP A 83 2.953 -6.122 -17.269 1.00 0.00 N ATOM 1139 CA ASP A 83 4.419 -6.150 -17.393 1.00 0.00 C ATOM 1140 C ASP A 83 5.076 -4.824 -16.949 1.00 0.00 C ATOM 1141 O ASP A 83 6.047 -4.866 -16.190 1.00 0.00 O ATOM 1142 CB ASP A 83 4.849 -6.489 -18.829 1.00 0.00 C ATOM 1143 CG ASP A 83 4.471 -7.906 -19.302 1.00 0.00 C ATOM 1144 OD1 ASP A 83 4.503 -8.862 -18.489 1.00 0.00 O ATOM 1145 OD2 ASP A 83 4.211 -8.064 -20.518 1.00 0.00 O ATOM 0 H ASP A 83 2.463 -6.235 -18.157 1.00 0.00 H new ATOM 0 HA ASP A 83 4.767 -6.934 -16.721 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.401 -5.763 -19.508 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.930 -6.372 -18.906 1.00 0.00 H new ATOM 1150 N VAL A 84 4.544 -3.660 -17.361 1.00 0.00 N ATOM 1151 CA VAL A 84 4.987 -2.346 -16.817 1.00 0.00 C ATOM 1152 C VAL A 84 4.759 -2.270 -15.312 1.00 0.00 C ATOM 1153 O VAL A 84 5.633 -1.789 -14.602 1.00 0.00 O ATOM 1154 CB VAL A 84 4.307 -1.104 -17.459 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.593 0.232 -16.744 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.796 -0.959 -18.911 1.00 0.00 C ATOM 0 H VAL A 84 3.809 -3.593 -18.065 1.00 0.00 H new ATOM 0 HA VAL A 84 6.047 -2.306 -17.068 1.00 0.00 H new ATOM 0 HB VAL A 84 3.235 -1.288 -17.383 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.077 1.040 -17.263 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.238 0.177 -15.715 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.666 0.425 -16.748 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.324 -0.090 -19.369 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.878 -0.830 -18.919 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.533 -1.854 -19.475 1.00 0.00 H new ATOM 1166 N ILE A 85 3.600 -2.706 -14.812 1.00 0.00 N ATOM 1167 CA ILE A 85 3.247 -2.510 -13.405 1.00 0.00 C ATOM 1168 C ILE A 85 4.156 -3.378 -12.539 1.00 0.00 C ATOM 1169 O ILE A 85 4.854 -2.834 -11.693 1.00 0.00 O ATOM 1170 CB ILE A 85 1.739 -2.730 -13.121 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.728 -1.990 -14.044 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.460 -2.310 -11.663 1.00 0.00 C ATOM 1173 CD1 ILE A 85 1.228 -0.775 -14.843 1.00 0.00 C ATOM 0 H ILE A 85 2.892 -3.196 -15.359 1.00 0.00 H new ATOM 0 HA ILE A 85 3.415 -1.465 -13.144 1.00 0.00 H new ATOM 0 HB ILE A 85 1.570 -3.788 -13.322 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.333 -2.716 -14.755 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.108 -1.661 -13.426 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.403 -2.456 -11.438 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.062 -2.918 -10.988 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.717 -1.259 -11.532 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.410 -0.369 -15.437 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.591 -0.011 -14.155 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.038 -1.083 -15.504 1.00 0.00 H new ATOM 1185 N ILE A 86 4.249 -4.686 -12.793 1.00 0.00 N ATOM 1186 CA ILE A 86 5.129 -5.585 -12.019 1.00 0.00 C ATOM 1187 C ILE A 86 6.604 -5.188 -12.177 1.00 0.00 C ATOM 1188 O ILE A 86 7.334 -5.123 -11.186 1.00 0.00 O ATOM 1189 CB ILE A 86 4.868 -7.062 -12.407 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.430 -7.475 -12.017 1.00 0.00 C ATOM 1191 CG2 ILE A 86 5.895 -8.004 -11.741 1.00 0.00 C ATOM 1192 CD1 ILE A 86 3.074 -8.901 -12.458 1.00 0.00 C ATOM 0 H ILE A 86 3.725 -5.154 -13.532 1.00 0.00 H new ATOM 0 HA ILE A 86 4.892 -5.481 -10.960 1.00 0.00 H new ATOM 0 HB ILE A 86 4.980 -7.150 -13.488 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.316 -7.396 -10.936 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.723 -6.776 -12.464 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.686 -9.034 -12.032 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.900 -7.732 -12.063 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.824 -7.912 -10.657 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.052 -9.131 -12.155 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.157 -8.978 -13.542 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.759 -9.608 -11.990 1.00 0.00 H new ATOM 1204 N GLY A 87 7.054 -4.891 -13.401 1.00 0.00 N ATOM 1205 CA GLY A 87 8.452 -4.544 -13.684 1.00 0.00 C ATOM 1206 C GLY A 87 8.867 -3.230 -13.028 1.00 0.00 C ATOM 1207 O GLY A 87 9.920 -3.167 -12.394 1.00 0.00 O ATOM 0 H GLY A 87 6.456 -4.884 -14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.101 -5.345 -13.331 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.595 -4.470 -14.762 1.00 0.00 H new ATOM 1211 N ARG A 88 8.031 -2.191 -13.125 1.00 0.00 N ATOM 1212 CA ARG A 88 8.345 -0.847 -12.623 1.00 0.00 C ATOM 1213 C ARG A 88 8.015 -0.664 -11.133 1.00 0.00 C ATOM 1214 O ARG A 88 8.736 0.074 -10.470 1.00 0.00 O ATOM 1215 CB ARG A 88 7.716 0.207 -13.554 1.00 0.00 C ATOM 1216 CG ARG A 88 8.379 1.588 -13.411 1.00 0.00 C ATOM 1217 CD ARG A 88 7.981 2.540 -14.554 1.00 0.00 C ATOM 1218 NE ARG A 88 7.361 3.777 -14.043 1.00 0.00 N ATOM 1219 CZ ARG A 88 6.064 4.046 -13.943 1.00 0.00 C ATOM 1220 NH1 ARG A 88 5.136 3.192 -14.310 1.00 0.00 N ATOM 1221 NH2 ARG A 88 5.681 5.201 -13.454 1.00 0.00 N ATOM 0 H ARG A 88 7.110 -2.259 -13.557 1.00 0.00 H new ATOM 0 HA ARG A 88 9.425 -0.703 -12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.801 -0.128 -14.588 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.652 0.293 -13.334 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.095 2.030 -12.456 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.463 1.470 -13.398 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.864 2.791 -15.142 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.285 2.034 -15.223 1.00 0.00 H new ATOM 0 HE ARG A 88 8.000 4.508 -13.731 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.401 2.283 -14.688 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.151 3.438 -14.216 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.377 5.884 -13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.687 5.416 -13.373 1.00 0.00 H new ATOM 1235 N LEU A 89 7.050 -1.396 -10.556 1.00 0.00 N ATOM 1236 CA LEU A 89 6.900 -1.547 -9.101 1.00 0.00 C ATOM 1237 C LEU A 89 8.157 -2.203 -8.520 1.00 0.00 C ATOM 1238 O LEU A 89 8.796 -1.600 -7.656 1.00 0.00 O ATOM 1239 CB LEU A 89 5.601 -2.336 -8.821 1.00 0.00 C ATOM 1240 CG LEU A 89 5.054 -2.255 -7.388 1.00 0.00 C ATOM 1241 CD1 LEU A 89 3.635 -2.845 -7.353 1.00 0.00 C ATOM 1242 CD2 LEU A 89 5.920 -2.975 -6.341 1.00 0.00 C ATOM 0 H LEU A 89 6.346 -1.904 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 89 6.805 -0.581 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.829 -1.979 -9.503 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.778 -3.384 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 89 5.058 -1.198 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.243 -2.790 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.989 -2.278 -8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.666 -3.886 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.464 -2.870 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.994 -4.032 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.917 -2.534 -6.328 1.00 0.00 H new ATOM 1254 N ARG A 90 8.578 -3.364 -9.056 1.00 0.00 N ATOM 1255 CA ARG A 90 9.862 -3.978 -8.670 1.00 0.00 C ATOM 1256 C ARG A 90 11.033 -3.009 -8.846 1.00 0.00 C ATOM 1257 O ARG A 90 11.840 -2.866 -7.937 1.00 0.00 O ATOM 1258 CB ARG A 90 10.124 -5.286 -9.425 1.00 0.00 C ATOM 1259 CG ARG A 90 9.272 -6.439 -8.868 1.00 0.00 C ATOM 1260 CD ARG A 90 9.663 -7.776 -9.504 1.00 0.00 C ATOM 1261 NE ARG A 90 9.419 -7.782 -10.958 1.00 0.00 N ATOM 1262 CZ ARG A 90 9.882 -8.680 -11.824 1.00 0.00 C ATOM 1263 NH1 ARG A 90 10.607 -9.711 -11.440 1.00 0.00 N ATOM 1264 NH2 ARG A 90 9.621 -8.557 -13.108 1.00 0.00 N ATOM 0 H ARG A 90 8.052 -3.892 -9.752 1.00 0.00 H new ATOM 0 HA ARG A 90 9.782 -4.217 -7.610 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.903 -5.147 -10.483 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.180 -5.544 -9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.397 -6.497 -7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.217 -6.239 -9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.717 -7.976 -9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.095 -8.581 -9.037 1.00 0.00 H new ATOM 0 HE ARG A 90 8.843 -7.029 -11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.829 -9.839 -10.453 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.946 -10.381 -12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.062 -7.772 -13.442 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.977 -9.247 -13.769 1.00 0.00 H new ATOM 1278 N SER A 91 11.103 -2.269 -9.951 1.00 0.00 N ATOM 1279 CA SER A 91 12.160 -1.266 -10.150 1.00 0.00 C ATOM 1280 C SER A 91 12.168 -0.189 -9.058 1.00 0.00 C ATOM 1281 O SER A 91 13.223 0.106 -8.498 1.00 0.00 O ATOM 1282 CB SER A 91 12.063 -0.648 -11.554 1.00 0.00 C ATOM 1283 OG SER A 91 13.253 0.045 -11.918 1.00 0.00 O ATOM 0 H SER A 91 10.443 -2.341 -10.725 1.00 0.00 H new ATOM 0 HA SER A 91 13.115 -1.785 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.865 -1.434 -12.283 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.218 0.040 -11.589 1.00 0.00 H new ATOM 0 HG SER A 91 13.151 0.421 -12.817 1.00 0.00 H new ATOM 1289 N LYS A 92 11.005 0.343 -8.661 1.00 0.00 N ATOM 1290 CA LYS A 92 10.949 1.321 -7.566 1.00 0.00 C ATOM 1291 C LYS A 92 11.317 0.737 -6.190 1.00 0.00 C ATOM 1292 O LYS A 92 11.965 1.434 -5.408 1.00 0.00 O ATOM 1293 CB LYS A 92 9.571 2.006 -7.583 1.00 0.00 C ATOM 1294 CG LYS A 92 9.398 2.947 -8.791 1.00 0.00 C ATOM 1295 CD LYS A 92 10.253 4.225 -8.683 1.00 0.00 C ATOM 1296 CE LYS A 92 9.952 5.240 -9.798 1.00 0.00 C ATOM 1297 NZ LYS A 92 10.566 4.869 -11.106 1.00 0.00 N ATOM 0 H LYS A 92 10.101 0.117 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 92 11.721 2.071 -7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.790 1.246 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.439 2.574 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.666 2.413 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.348 3.225 -8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.077 4.693 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.308 3.955 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.872 5.326 -9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.318 6.222 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.329 5.589 -11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.599 4.813 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.199 3.946 -11.413 1.00 0.00 H new ATOM 1311 N ILE A 93 10.986 -0.525 -5.881 1.00 0.00 N ATOM 1312 CA ILE A 93 11.410 -1.173 -4.608 1.00 0.00 C ATOM 1313 C ILE A 93 12.816 -1.810 -4.643 1.00 0.00 C ATOM 1314 O ILE A 93 13.345 -2.177 -3.594 1.00 0.00 O ATOM 1315 CB ILE A 93 10.322 -2.108 -4.030 1.00 0.00 C ATOM 1316 CG1 ILE A 93 9.954 -3.357 -4.851 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.039 -1.298 -3.759 1.00 0.00 C ATOM 1318 CD1 ILE A 93 11.060 -4.409 -5.008 1.00 0.00 C ATOM 0 H ILE A 93 10.427 -1.126 -6.487 1.00 0.00 H new ATOM 0 HA ILE A 93 11.519 -0.353 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 93 10.779 -2.503 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.091 -3.833 -4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.642 -3.035 -5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.272 -1.957 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.254 -0.505 -3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.682 -0.859 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.688 -5.242 -5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.919 -3.962 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.360 -4.771 -4.025 1.00 0.00 H new ATOM 1330 N GLU A 94 13.447 -1.898 -5.816 1.00 0.00 N ATOM 1331 CA GLU A 94 14.883 -2.174 -5.961 1.00 0.00 C ATOM 1332 C GLU A 94 15.711 -0.884 -5.811 1.00 0.00 C ATOM 1333 O GLU A 94 16.769 -0.900 -5.179 1.00 0.00 O ATOM 1334 CB GLU A 94 15.160 -2.831 -7.325 1.00 0.00 C ATOM 1335 CG GLU A 94 14.794 -4.322 -7.370 1.00 0.00 C ATOM 1336 CD GLU A 94 15.759 -5.177 -6.535 1.00 0.00 C ATOM 1337 OE1 GLU A 94 16.919 -5.383 -6.967 1.00 0.00 O ATOM 1338 OE2 GLU A 94 15.367 -5.668 -5.450 1.00 0.00 O ATOM 0 H GLU A 94 12.968 -1.778 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 94 15.181 -2.861 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.597 -2.303 -8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.217 -2.716 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.778 -4.457 -7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.806 -4.667 -8.404 1.00 0.00 H new ATOM 1345 N LYS A 95 15.235 0.246 -6.358 1.00 0.00 N ATOM 1346 CA LYS A 95 15.911 1.548 -6.271 1.00 0.00 C ATOM 1347 C LYS A 95 15.829 2.166 -4.862 1.00 0.00 C ATOM 1348 O LYS A 95 16.861 2.517 -4.283 1.00 0.00 O ATOM 1349 CB LYS A 95 15.329 2.470 -7.360 1.00 0.00 C ATOM 1350 CG LYS A 95 16.059 3.823 -7.429 1.00 0.00 C ATOM 1351 CD LYS A 95 15.550 4.721 -8.570 1.00 0.00 C ATOM 1352 CE LYS A 95 15.826 4.183 -9.987 1.00 0.00 C ATOM 1353 NZ LYS A 95 17.276 4.176 -10.329 1.00 0.00 N ATOM 0 H LYS A 95 14.359 0.280 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 95 16.978 1.412 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.396 1.973 -8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.271 2.640 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.936 4.345 -6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.127 3.648 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.475 4.860 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.011 5.704 -8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.433 3.170 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.289 4.793 -10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.404 3.805 -11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.649 5.145 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.789 3.573 -9.655 1.00 0.00 H new ATOM 1367 N ASN A 96 14.622 2.304 -4.297 1.00 0.00 N ATOM 1368 CA ASN A 96 14.422 2.807 -2.927 1.00 0.00 C ATOM 1369 C ASN A 96 14.680 1.703 -1.868 1.00 0.00 C ATOM 1370 O ASN A 96 14.542 0.519 -2.193 1.00 0.00 O ATOM 1371 CB ASN A 96 13.067 3.544 -2.829 1.00 0.00 C ATOM 1372 CG ASN A 96 11.984 2.809 -2.053 1.00 0.00 C ATOM 1373 OD1 ASN A 96 11.952 2.862 -0.834 1.00 0.00 O ATOM 1374 ND2 ASN A 96 11.087 2.113 -2.724 1.00 0.00 N ATOM 0 H ASN A 96 13.753 2.070 -4.777 1.00 0.00 H new ATOM 0 HA ASN A 96 15.173 3.560 -2.687 1.00 0.00 H new ATOM 0 HB2 ASN A 96 13.232 4.514 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 96 12.702 3.736 -3.838 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.354 1.610 -2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 96 11.126 2.078 -3.743 1.00 0.00 H new ATOM 1381 N PRO A 97 15.075 2.057 -0.625 1.00 0.00 N ATOM 1382 CA PRO A 97 15.511 1.088 0.384 1.00 0.00 C ATOM 1383 C PRO A 97 14.371 0.214 0.928 1.00 0.00 C ATOM 1384 O PRO A 97 14.640 -0.853 1.478 1.00 0.00 O ATOM 1385 CB PRO A 97 16.161 1.923 1.494 1.00 0.00 C ATOM 1386 CG PRO A 97 15.450 3.269 1.390 1.00 0.00 C ATOM 1387 CD PRO A 97 15.236 3.415 -0.115 1.00 0.00 C ATOM 0 HA PRO A 97 16.205 0.371 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.018 1.468 2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.236 2.024 1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.507 3.273 1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.056 4.080 1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.355 4.020 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.085 3.911 -0.585 1.00 0.00 H new ATOM 1395 N LYS A 98 13.105 0.622 0.762 1.00 0.00 N ATOM 1396 CA LYS A 98 11.952 -0.206 1.142 1.00 0.00 C ATOM 1397 C LYS A 98 11.736 -1.370 0.145 1.00 0.00 C ATOM 1398 O LYS A 98 11.701 -1.155 -1.066 1.00 0.00 O ATOM 1399 CB LYS A 98 10.710 0.684 1.302 1.00 0.00 C ATOM 1400 CG LYS A 98 9.480 -0.076 1.813 1.00 0.00 C ATOM 1401 CD LYS A 98 9.549 -0.591 3.265 1.00 0.00 C ATOM 1402 CE LYS A 98 9.065 -2.053 3.389 1.00 0.00 C ATOM 1403 NZ LYS A 98 8.711 -2.394 4.796 1.00 0.00 N ATOM 0 H LYS A 98 12.853 1.527 0.364 1.00 0.00 H new ATOM 0 HA LYS A 98 12.149 -0.677 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.940 1.495 1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.473 1.141 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.612 0.578 1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.307 -0.928 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.575 -0.518 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.939 0.047 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.197 -2.206 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.845 -2.727 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.703 -3.428 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.413 -1.979 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.769 -2.014 5.019 1.00 0.00 H new ATOM 1417 N GLN A 99 11.534 -2.591 0.657 1.00 0.00 N ATOM 1418 CA GLN A 99 11.435 -3.846 -0.111 1.00 0.00 C ATOM 1419 C GLN A 99 10.176 -4.653 0.297 1.00 0.00 C ATOM 1420 O GLN A 99 9.683 -4.464 1.414 1.00 0.00 O ATOM 1421 CB GLN A 99 12.747 -4.642 0.071 1.00 0.00 C ATOM 1422 CG GLN A 99 13.039 -5.112 1.510 1.00 0.00 C ATOM 1423 CD GLN A 99 14.376 -5.852 1.602 1.00 0.00 C ATOM 1424 OE1 GLN A 99 14.443 -7.076 1.628 1.00 0.00 O ATOM 1425 NE2 GLN A 99 15.495 -5.151 1.638 1.00 0.00 N ATOM 0 H GLN A 99 11.430 -2.741 1.661 1.00 0.00 H new ATOM 0 HA GLN A 99 11.313 -3.629 -1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.715 -5.516 -0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.578 -4.023 -0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.052 -4.251 2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.236 -5.767 1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.459 -4.132 1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.395 -5.629 1.687 1.00 0.00 H new ATOM 1434 N PRO A 100 9.633 -5.527 -0.578 1.00 0.00 N ATOM 1435 CA PRO A 100 8.379 -6.248 -0.354 1.00 0.00 C ATOM 1436 C PRO A 100 8.541 -7.453 0.580 1.00 0.00 C ATOM 1437 O PRO A 100 9.629 -8.009 0.734 1.00 0.00 O ATOM 1438 CB PRO A 100 7.917 -6.695 -1.748 1.00 0.00 C ATOM 1439 CG PRO A 100 9.227 -6.902 -2.497 1.00 0.00 C ATOM 1440 CD PRO A 100 10.099 -5.784 -1.935 1.00 0.00 C ATOM 0 HA PRO A 100 7.652 -5.605 0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.329 -7.612 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.294 -5.940 -2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.654 -7.887 -2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.098 -6.814 -3.576 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.149 -6.076 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.019 -4.886 -2.548 1.00 0.00 H new ATOM 1448 N GLN A 101 7.406 -7.883 1.143 1.00 0.00 N ATOM 1449 CA GLN A 101 7.258 -9.129 1.907 1.00 0.00 C ATOM 1450 C GLN A 101 5.788 -9.578 1.999 1.00 0.00 C ATOM 1451 O GLN A 101 5.519 -10.778 1.946 1.00 0.00 O ATOM 1452 CB GLN A 101 7.927 -9.002 3.290 1.00 0.00 C ATOM 1453 CG GLN A 101 7.299 -7.959 4.229 1.00 0.00 C ATOM 1454 CD GLN A 101 8.125 -7.784 5.506 1.00 0.00 C ATOM 1455 OE1 GLN A 101 7.796 -8.288 6.575 1.00 0.00 O ATOM 1456 NE2 GLN A 101 9.244 -7.084 5.449 1.00 0.00 N ATOM 0 H GLN A 101 6.535 -7.356 1.078 1.00 0.00 H new ATOM 0 HA GLN A 101 7.778 -9.920 1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.896 -9.975 3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.978 -8.751 3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.220 -7.003 3.712 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.286 -8.265 4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.534 -6.657 4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.818 -6.970 6.285 1.00 0.00 H new ATOM 1465 N TYR A 102 4.828 -8.636 2.055 1.00 0.00 N ATOM 1466 CA TYR A 102 3.381 -8.941 2.027 1.00 0.00 C ATOM 1467 C TYR A 102 2.745 -8.865 0.628 1.00 0.00 C ATOM 1468 O TYR A 102 1.522 -8.927 0.501 1.00 0.00 O ATOM 1469 CB TYR A 102 2.653 -8.053 3.052 1.00 0.00 C ATOM 1470 CG TYR A 102 3.080 -8.282 4.490 1.00 0.00 C ATOM 1471 CD1 TYR A 102 2.746 -9.490 5.136 1.00 0.00 C ATOM 1472 CD2 TYR A 102 3.804 -7.294 5.187 1.00 0.00 C ATOM 1473 CE1 TYR A 102 3.137 -9.715 6.470 1.00 0.00 C ATOM 1474 CE2 TYR A 102 4.197 -7.512 6.521 1.00 0.00 C ATOM 1475 CZ TYR A 102 3.866 -8.725 7.167 1.00 0.00 C ATOM 1476 OH TYR A 102 4.246 -8.931 8.462 1.00 0.00 O ATOM 0 H TYR A 102 5.032 -7.639 2.121 1.00 0.00 H new ATOM 0 HA TYR A 102 3.265 -9.988 2.309 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.825 -7.007 2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.580 -8.229 2.971 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.187 -10.247 4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.058 -6.366 4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.880 -10.643 6.960 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.752 -6.752 7.051 1.00 0.00 H new ATOM 0 HH TYR A 102 4.740 -8.149 8.786 1.00 0.00 H new ATOM 1486 N ILE A 103 3.555 -8.757 -0.432 1.00 0.00 N ATOM 1487 CA ILE A 103 3.115 -8.991 -1.819 1.00 0.00 C ATOM 1488 C ILE A 103 3.970 -10.093 -2.481 1.00 0.00 C ATOM 1489 O ILE A 103 5.194 -10.101 -2.349 1.00 0.00 O ATOM 1490 CB ILE A 103 3.088 -7.660 -2.611 1.00 0.00 C ATOM 1491 CG1 ILE A 103 2.229 -7.800 -3.889 1.00 0.00 C ATOM 1492 CG2 ILE A 103 4.488 -7.099 -2.917 1.00 0.00 C ATOM 1493 CD1 ILE A 103 1.969 -6.467 -4.600 1.00 0.00 C ATOM 0 H ILE A 103 4.540 -8.504 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 103 2.091 -9.364 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 103 2.619 -6.921 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.728 -8.480 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.274 -8.255 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.393 -6.167 -3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 103 5.017 -6.912 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.047 -7.821 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.361 -6.641 -5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.443 -5.792 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.919 -6.020 -4.893 1.00 0.00 H new ATOM 1505 N ILE A 104 3.323 -11.036 -3.172 1.00 0.00 N ATOM 1506 CA ILE A 104 3.958 -12.166 -3.888 1.00 0.00 C ATOM 1507 C ILE A 104 3.447 -12.230 -5.337 1.00 0.00 C ATOM 1508 O ILE A 104 2.242 -12.258 -5.570 1.00 0.00 O ATOM 1509 CB ILE A 104 3.680 -13.503 -3.147 1.00 0.00 C ATOM 1510 CG1 ILE A 104 4.137 -13.441 -1.667 1.00 0.00 C ATOM 1511 CG2 ILE A 104 4.366 -14.678 -3.878 1.00 0.00 C ATOM 1512 CD1 ILE A 104 3.848 -14.707 -0.849 1.00 0.00 C ATOM 0 H ILE A 104 2.307 -11.041 -3.256 1.00 0.00 H new ATOM 0 HA ILE A 104 5.036 -12.007 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 104 2.602 -13.667 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.209 -13.246 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.647 -12.595 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.161 -15.607 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.979 -14.749 -4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.442 -14.508 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.203 -14.569 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.775 -14.896 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.361 -15.557 -1.300 1.00 0.00 H new ATOM 1524 N SER A 105 4.330 -12.294 -6.329 1.00 0.00 N ATOM 1525 CA SER A 105 3.974 -12.470 -7.741 1.00 0.00 C ATOM 1526 C SER A 105 3.775 -13.961 -8.094 1.00 0.00 C ATOM 1527 O SER A 105 4.637 -14.803 -7.825 1.00 0.00 O ATOM 1528 CB SER A 105 5.034 -11.806 -8.641 1.00 0.00 C ATOM 1529 OG SER A 105 6.365 -12.151 -8.262 1.00 0.00 O ATOM 0 H SER A 105 5.336 -12.224 -6.175 1.00 0.00 H new ATOM 0 HA SER A 105 3.019 -11.977 -7.920 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.865 -12.104 -9.676 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.916 -10.723 -8.598 1.00 0.00 H new ATOM 0 HG SER A 105 7.001 -11.708 -8.862 1.00 0.00 H new ATOM 1535 N VAL A 106 2.632 -14.289 -8.712 1.00 0.00 N ATOM 1536 CA VAL A 106 2.256 -15.642 -9.170 1.00 0.00 C ATOM 1537 C VAL A 106 1.985 -15.582 -10.679 1.00 0.00 C ATOM 1538 O VAL A 106 0.887 -15.229 -11.117 1.00 0.00 O ATOM 1539 CB VAL A 106 1.030 -16.187 -8.390 1.00 0.00 C ATOM 1540 CG1 VAL A 106 0.698 -17.629 -8.812 1.00 0.00 C ATOM 1541 CG2 VAL A 106 1.259 -16.160 -6.868 1.00 0.00 C ATOM 0 H VAL A 106 1.913 -13.595 -8.917 1.00 0.00 H new ATOM 0 HA VAL A 106 3.074 -16.336 -8.974 1.00 0.00 H new ATOM 0 HB VAL A 106 0.195 -15.530 -8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.165 -17.983 -8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.470 -17.653 -9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.553 -18.274 -8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.377 -16.550 -6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.123 -16.776 -6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.440 -15.135 -6.545 1.00 0.00 H new ATOM 1601 N GLY A 110 -1.598 -13.531 -11.232 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.571 -12.169 -10.684 1.00 0.00 C ATOM 1603 C GLY A 110 -0.591 -12.016 -9.525 1.00 0.00 C ATOM 1604 O GLY A 110 0.303 -12.841 -9.339 1.00 0.00 O ATOM 0 HA2 GLY A 110 -1.302 -11.469 -11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.571 -11.899 -10.346 1.00 0.00 H new ATOM 1608 N TYR A 111 -0.734 -10.941 -8.751 1.00 0.00 N ATOM 1609 CA TYR A 111 0.154 -10.633 -7.621 1.00 0.00 C ATOM 1610 C TYR A 111 -0.632 -10.557 -6.295 1.00 0.00 C ATOM 1611 O TYR A 111 -1.415 -9.646 -6.047 1.00 0.00 O ATOM 1612 CB TYR A 111 1.123 -9.455 -7.925 1.00 0.00 C ATOM 1613 CG TYR A 111 0.730 -8.322 -8.876 1.00 0.00 C ATOM 1614 CD1 TYR A 111 0.311 -8.578 -10.199 1.00 0.00 C ATOM 1615 CD2 TYR A 111 0.940 -6.982 -8.489 1.00 0.00 C ATOM 1616 CE1 TYR A 111 -0.028 -7.529 -11.070 1.00 0.00 C ATOM 1617 CE2 TYR A 111 0.656 -5.922 -9.372 1.00 0.00 C ATOM 1618 CZ TYR A 111 0.139 -6.192 -10.657 1.00 0.00 C ATOM 1619 OH TYR A 111 -0.170 -5.174 -11.505 1.00 0.00 O ATOM 0 H TYR A 111 -1.473 -10.252 -8.888 1.00 0.00 H new ATOM 0 HA TYR A 111 0.840 -11.468 -7.474 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.372 -8.994 -6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.041 -9.893 -8.316 1.00 0.00 H new ATOM 0 HD1 TYR A 111 0.250 -9.598 -10.548 1.00 0.00 H new ATOM 0 HD2 TYR A 111 1.324 -6.766 -7.503 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -0.416 -7.747 -12.054 1.00 0.00 H new ATOM 0 HE2 TYR A 111 0.834 -4.902 -9.065 1.00 0.00 H new ATOM 0 HH TYR A 111 -0.748 -4.530 -11.046 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.458 -11.584 -5.457 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.149 -11.813 -4.182 1.00 0.00 C ATOM 1631 C LYS A 112 -0.690 -10.820 -3.110 1.00 0.00 C ATOM 1632 O LYS A 112 0.509 -10.627 -2.915 1.00 0.00 O ATOM 1633 CB LYS A 112 -0.909 -13.289 -3.798 1.00 0.00 C ATOM 1634 CG LYS A 112 -1.401 -13.767 -2.414 1.00 0.00 C ATOM 1635 CD LYS A 112 -0.390 -13.535 -1.268 1.00 0.00 C ATOM 1636 CE LYS A 112 -0.510 -14.598 -0.158 1.00 0.00 C ATOM 1637 NZ LYS A 112 -1.670 -14.385 0.750 1.00 0.00 N ATOM 0 H LYS A 112 0.212 -12.325 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.221 -11.637 -4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.384 -13.913 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.163 -13.479 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -2.331 -13.251 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.632 -14.831 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.622 -13.547 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.551 -12.546 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.595 -15.583 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.407 -14.600 0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.108 -15.301 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.345 -13.933 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.368 -13.772 0.283 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.637 -10.233 -2.382 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.432 -9.234 -1.323 1.00 0.00 C ATOM 1653 C LEU A 113 -2.458 -9.497 -0.200 1.00 0.00 C ATOM 1654 O LEU A 113 -3.431 -10.220 -0.403 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.567 -7.828 -1.972 1.00 0.00 C ATOM 1656 CG LEU A 113 -0.654 -6.691 -1.466 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.905 -5.438 -2.317 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -0.838 -6.300 0.005 1.00 0.00 C ATOM 0 H LEU A 113 -2.624 -10.450 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.443 -9.295 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.395 -7.939 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.600 -7.504 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 113 0.361 -7.079 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.265 -4.627 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.679 -5.656 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.950 -5.140 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.149 -5.494 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.863 -5.966 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.633 -7.163 0.639 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.279 -8.902 0.977 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.203 -9.034 2.113 1.00 0.00 C ATOM 1672 C GLU A 114 -3.208 -7.809 3.047 1.00 0.00 C ATOM 1673 O GLU A 114 -2.266 -7.012 3.063 1.00 0.00 O ATOM 1674 CB GLU A 114 -2.906 -10.341 2.868 1.00 0.00 C ATOM 1675 CG GLU A 114 -1.470 -10.474 3.400 1.00 0.00 C ATOM 1676 CD GLU A 114 -1.210 -11.915 3.857 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -1.051 -12.798 2.979 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -1.173 -12.178 5.083 1.00 0.00 O ATOM 0 H GLU A 114 -1.477 -8.304 1.177 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.215 -9.078 1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -3.597 -10.423 3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.110 -11.181 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.758 -10.197 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.317 -9.787 4.232 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.314 -7.666 3.790 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.641 -6.538 4.681 1.00 0.00 C ATOM 1687 C TYR A 115 -3.600 -6.327 5.805 1.00 0.00 C ATOM 1688 O TYR A 115 -3.136 -5.176 5.989 1.00 0.00 O ATOM 1689 CB TYR A 115 -6.053 -6.774 5.257 1.00 0.00 C ATOM 1690 CG TYR A 115 -6.845 -5.529 5.626 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -6.497 -4.761 6.755 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -7.982 -5.181 4.870 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -7.286 -3.655 7.128 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -8.777 -4.080 5.241 1.00 0.00 C ATOM 1695 CZ TYR A 115 -8.435 -3.318 6.379 1.00 0.00 C ATOM 1696 OH TYR A 115 -9.223 -2.277 6.771 1.00 0.00 O ATOM 1697 OXT TYR A 115 -3.263 -7.302 6.521 1.00 0.00 O ATOM 0 H TYR A 115 -5.048 -8.374 3.787 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.617 -5.618 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.630 -7.343 4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -5.960 -7.397 6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.624 -5.021 7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.246 -5.763 3.999 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -7.012 -3.063 7.989 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -9.647 -3.819 4.656 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.971 -2.179 6.145 1.00 0.00 H new