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 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 -139:sc= 1.26 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+ 138:sc= 0.0672 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -76:sc= 0.241 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.915) 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 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.108 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00503 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 73:sc= 0.25 USER MOD Single : A 92 LYS NZ :NH3+ 145:sc= 1.16 (180deg=0.408) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0.859 K(o=0.86,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 150:sc=-0.00281 (180deg=-1.19) USER MOD Single : A 99 GLN : amide:sc= 0.585 K(o=0.59,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 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -3.646 13.626 -0.503 1.00 0.00 N ATOM 106 CA GLY A 19 -4.844 12.872 -0.110 1.00 0.00 C ATOM 107 C GLY A 19 -4.523 11.800 0.932 1.00 0.00 C ATOM 108 O GLY A 19 -3.393 11.321 1.017 1.00 0.00 O ATOM 0 HA2 GLY A 19 -5.590 13.558 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.284 12.403 -0.990 1.00 0.00 H new ATOM 112 N ASP A 20 -5.514 11.370 1.710 1.00 0.00 N ATOM 113 CA ASP A 20 -5.340 10.394 2.793 1.00 0.00 C ATOM 114 C ASP A 20 -6.564 9.453 2.878 1.00 0.00 C ATOM 115 O ASP A 20 -7.696 9.912 2.693 1.00 0.00 O ATOM 116 CB ASP A 20 -5.199 11.120 4.149 1.00 0.00 C ATOM 117 CG ASP A 20 -4.346 12.406 4.144 1.00 0.00 C ATOM 118 OD1 ASP A 20 -4.917 13.508 3.953 1.00 0.00 O ATOM 119 OD2 ASP A 20 -3.123 12.325 4.402 1.00 0.00 O ATOM 0 H ASP A 20 -6.476 11.692 1.607 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.441 9.816 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.197 11.371 4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.766 10.424 4.868 1.00 0.00 H new ATOM 124 N ALA A 21 -6.367 8.165 3.205 1.00 0.00 N ATOM 125 CA ALA A 21 -7.451 7.176 3.312 1.00 0.00 C ATOM 126 C ALA A 21 -7.044 5.907 4.094 1.00 0.00 C ATOM 127 O ALA A 21 -6.695 4.873 3.520 1.00 0.00 O ATOM 128 CB ALA A 21 -7.969 6.850 1.903 1.00 0.00 C ATOM 0 H ALA A 21 -5.444 7.779 3.404 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.257 7.615 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.773 6.117 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.345 7.759 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.156 6.442 1.302 1.00 0.00 H new ATOM 134 N ASN A 22 -7.141 5.975 5.427 1.00 0.00 N ATOM 135 CA ASN A 22 -7.056 4.836 6.354 1.00 0.00 C ATOM 136 C ASN A 22 -5.722 4.058 6.244 1.00 0.00 C ATOM 137 O ASN A 22 -4.728 4.456 6.856 1.00 0.00 O ATOM 138 CB ASN A 22 -8.311 3.944 6.223 1.00 0.00 C ATOM 139 CG ASN A 22 -9.595 4.700 6.553 1.00 0.00 C ATOM 140 OD1 ASN A 22 -9.869 5.024 7.703 1.00 0.00 O ATOM 141 ND2 ASN A 22 -10.412 5.017 5.561 1.00 0.00 N ATOM 0 H ASN A 22 -7.287 6.861 5.911 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.045 5.231 7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.372 3.554 5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.216 3.086 6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.271 5.532 5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.182 4.746 4.605 1.00 0.00 H new ATOM 148 N ILE A 23 -5.688 2.943 5.496 1.00 0.00 N ATOM 149 CA ILE A 23 -4.502 2.073 5.336 1.00 0.00 C ATOM 150 C ILE A 23 -3.550 2.583 4.233 1.00 0.00 C ATOM 151 O ILE A 23 -2.414 2.117 4.145 1.00 0.00 O ATOM 152 CB ILE A 23 -4.968 0.603 5.137 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.928 0.125 6.257 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.802 -0.400 5.036 1.00 0.00 C ATOM 155 CD1 ILE A 23 -5.399 0.259 7.694 1.00 0.00 C ATOM 0 H ILE A 23 -6.499 2.611 4.973 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.902 2.106 6.245 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.498 0.619 4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.857 0.689 6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.174 -0.921 6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.198 -1.406 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.170 -0.139 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.212 -0.365 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.151 -0.104 8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.488 -0.329 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.182 1.306 7.906 1.00 0.00 H new ATOM 167 N PHE A 24 -3.963 3.567 3.423 1.00 0.00 N ATOM 168 CA PHE A 24 -3.123 4.219 2.424 1.00 0.00 C ATOM 169 C PHE A 24 -3.155 5.754 2.510 1.00 0.00 C ATOM 170 O PHE A 24 -4.036 6.360 3.127 1.00 0.00 O ATOM 171 CB PHE A 24 -3.491 3.683 1.032 1.00 0.00 C ATOM 172 CG PHE A 24 -4.912 3.919 0.554 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.941 3.044 0.951 1.00 0.00 C ATOM 174 CD2 PHE A 24 -5.200 4.976 -0.331 1.00 0.00 C ATOM 175 CE1 PHE A 24 -7.249 3.221 0.469 1.00 0.00 C ATOM 176 CE2 PHE A 24 -6.508 5.147 -0.822 1.00 0.00 C ATOM 177 CZ PHE A 24 -7.531 4.267 -0.426 1.00 0.00 C ATOM 0 H PHE A 24 -4.913 3.936 3.449 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.083 3.967 2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.811 4.130 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.305 2.609 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.724 2.232 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.417 5.656 -0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.037 2.554 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.726 5.955 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.533 4.395 -0.809 1.00 0.00 H new ATOM 187 N ARG A 25 -2.159 6.389 1.883 1.00 0.00 N ATOM 188 CA ARG A 25 -1.955 7.843 1.869 1.00 0.00 C ATOM 189 C ARG A 25 -1.342 8.256 0.530 1.00 0.00 C ATOM 190 O ARG A 25 -0.451 7.570 0.046 1.00 0.00 O ATOM 191 CB ARG A 25 -1.049 8.235 3.050 1.00 0.00 C ATOM 192 CG ARG A 25 -1.108 9.740 3.331 1.00 0.00 C ATOM 193 CD ARG A 25 -0.194 10.138 4.494 1.00 0.00 C ATOM 194 NE ARG A 25 -0.489 11.515 4.913 1.00 0.00 N ATOM 195 CZ ARG A 25 0.253 12.326 5.652 1.00 0.00 C ATOM 196 NH1 ARG A 25 1.438 11.980 6.114 1.00 0.00 N ATOM 197 NH2 ARG A 25 -0.215 13.520 5.941 1.00 0.00 N ATOM 0 H ARG A 25 -1.447 5.887 1.352 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.906 8.364 1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.354 7.686 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.021 7.945 2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.816 10.289 2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.134 10.027 3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.338 9.455 5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.850 10.056 4.192 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.380 11.895 4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.817 11.056 5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.976 12.636 6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.132 13.805 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.339 14.161 6.509 1.00 0.00 H new ATOM 211 N VAL A 26 -1.825 9.333 -0.080 1.00 0.00 N ATOM 212 CA VAL A 26 -1.482 9.717 -1.469 1.00 0.00 C ATOM 213 C VAL A 26 -0.700 11.032 -1.488 1.00 0.00 C ATOM 214 O VAL A 26 -1.162 12.030 -0.937 1.00 0.00 O ATOM 215 CB VAL A 26 -2.751 9.854 -2.340 1.00 0.00 C ATOM 216 CG1 VAL A 26 -2.421 10.200 -3.803 1.00 0.00 C ATOM 217 CG2 VAL A 26 -3.594 8.567 -2.303 1.00 0.00 C ATOM 0 H VAL A 26 -2.474 9.979 0.370 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.859 8.925 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.324 10.677 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.345 10.285 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.883 11.147 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.801 9.413 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.480 8.694 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.002 7.733 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.898 8.361 -1.277 1.00 0.00 H new ATOM 227 N ASP A 27 0.455 11.053 -2.159 1.00 0.00 N ATOM 228 CA ASP A 27 1.257 12.266 -2.359 1.00 0.00 C ATOM 229 C ASP A 27 1.041 12.837 -3.770 1.00 0.00 C ATOM 230 O ASP A 27 1.377 12.199 -4.770 1.00 0.00 O ATOM 231 CB ASP A 27 2.740 11.977 -2.097 1.00 0.00 C ATOM 232 CG ASP A 27 3.549 13.284 -2.104 1.00 0.00 C ATOM 233 OD1 ASP A 27 3.968 13.722 -3.201 1.00 0.00 O ATOM 234 OD2 ASP A 27 3.734 13.882 -1.017 1.00 0.00 O ATOM 0 H ASP A 27 0.865 10.221 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 27 0.929 13.020 -1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.855 11.475 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.125 11.299 -2.859 1.00 0.00 H new ATOM 239 N LYS A 28 0.475 14.047 -3.850 1.00 0.00 N ATOM 240 CA LYS A 28 0.088 14.678 -5.121 1.00 0.00 C ATOM 241 C LYS A 28 1.240 15.445 -5.810 1.00 0.00 C ATOM 242 O LYS A 28 1.257 15.550 -7.038 1.00 0.00 O ATOM 243 CB LYS A 28 -1.128 15.580 -4.837 1.00 0.00 C ATOM 244 CG LYS A 28 -1.805 16.091 -6.120 1.00 0.00 C ATOM 245 CD LYS A 28 -3.090 16.868 -5.796 1.00 0.00 C ATOM 246 CE LYS A 28 -3.773 17.440 -7.050 1.00 0.00 C ATOM 247 NZ LYS A 28 -4.391 16.387 -7.905 1.00 0.00 N ATOM 0 H LYS A 28 0.271 14.620 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.173 13.901 -5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.855 15.025 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.810 16.432 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.116 16.734 -6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.040 15.249 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.786 16.209 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.853 17.684 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.541 18.152 -6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.040 17.993 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.836 16.830 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.657 15.721 -8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.112 15.874 -7.358 1.00 0.00 H new ATOM 261 N ASP A 29 2.212 15.958 -5.046 1.00 0.00 N ATOM 262 CA ASP A 29 3.337 16.749 -5.572 1.00 0.00 C ATOM 263 C ASP A 29 4.372 15.874 -6.301 1.00 0.00 C ATOM 264 O ASP A 29 4.793 16.200 -7.411 1.00 0.00 O ATOM 265 CB ASP A 29 4.025 17.517 -4.432 1.00 0.00 C ATOM 266 CG ASP A 29 3.158 18.642 -3.842 1.00 0.00 C ATOM 267 OD1 ASP A 29 2.700 19.520 -4.613 1.00 0.00 O ATOM 268 OD2 ASP A 29 2.985 18.669 -2.599 1.00 0.00 O ATOM 0 H ASP A 29 2.242 15.836 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 29 2.924 17.451 -6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.287 16.817 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.957 17.943 -4.802 1.00 0.00 H new ATOM 273 N SER A 30 4.767 14.753 -5.694 1.00 0.00 N ATOM 274 CA SER A 30 5.711 13.782 -6.267 1.00 0.00 C ATOM 275 C SER A 30 4.998 12.626 -7.009 1.00 0.00 C ATOM 276 O SER A 30 5.647 11.873 -7.741 1.00 0.00 O ATOM 277 CB SER A 30 6.625 13.266 -5.142 1.00 0.00 C ATOM 278 OG SER A 30 7.803 12.653 -5.645 1.00 0.00 O ATOM 0 H SER A 30 4.433 14.486 -4.768 1.00 0.00 H new ATOM 0 HA SER A 30 6.313 14.281 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.899 14.095 -4.490 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.077 12.549 -4.531 1.00 0.00 H new ATOM 0 HG SER A 30 8.003 11.849 -5.121 1.00 0.00 H new ATOM 284 N ARG A 31 3.664 12.502 -6.855 1.00 0.00 N ATOM 285 CA ARG A 31 2.769 11.607 -7.616 1.00 0.00 C ATOM 286 C ARG A 31 2.987 10.136 -7.198 1.00 0.00 C ATOM 287 O ARG A 31 3.423 9.300 -7.992 1.00 0.00 O ATOM 288 CB ARG A 31 2.919 11.901 -9.128 1.00 0.00 C ATOM 289 CG ARG A 31 1.757 11.447 -10.031 1.00 0.00 C ATOM 290 CD ARG A 31 1.986 12.055 -11.425 1.00 0.00 C ATOM 291 NE ARG A 31 0.958 11.678 -12.413 1.00 0.00 N ATOM 292 CZ ARG A 31 1.173 11.216 -13.644 1.00 0.00 C ATOM 293 NH1 ARG A 31 2.367 10.847 -14.061 1.00 0.00 N ATOM 294 NH2 ARG A 31 0.172 11.116 -14.491 1.00 0.00 N ATOM 0 H ARG A 31 3.156 13.051 -6.161 1.00 0.00 H new ATOM 0 HA ARG A 31 1.723 11.801 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.052 12.975 -9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.833 11.423 -9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.720 10.359 -10.089 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.802 11.777 -9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.012 13.141 -11.338 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.963 11.741 -11.793 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.015 11.781 -12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.168 10.910 -13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.490 10.498 -15.012 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.767 11.392 -14.205 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.335 10.762 -15.434 1.00 0.00 H new ATOM 308 N GLU A 32 2.734 9.838 -5.916 1.00 0.00 N ATOM 309 CA GLU A 32 3.089 8.578 -5.232 1.00 0.00 C ATOM 310 C GLU A 32 1.936 8.062 -4.343 1.00 0.00 C ATOM 311 O GLU A 32 0.991 8.806 -4.075 1.00 0.00 O ATOM 312 CB GLU A 32 4.344 8.769 -4.348 1.00 0.00 C ATOM 313 CG GLU A 32 5.466 9.592 -4.996 1.00 0.00 C ATOM 314 CD GLU A 32 6.783 9.616 -4.196 1.00 0.00 C ATOM 315 OE1 GLU A 32 6.845 9.124 -3.045 1.00 0.00 O ATOM 316 OE2 GLU A 32 7.773 10.182 -4.719 1.00 0.00 O ATOM 0 H GLU A 32 2.256 10.494 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 32 3.289 7.844 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.046 9.254 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.738 7.788 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.666 9.191 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.118 10.616 -5.130 1.00 0.00 H new ATOM 323 N VAL A 33 2.029 6.820 -3.839 1.00 0.00 N ATOM 324 CA VAL A 33 1.059 6.262 -2.871 1.00 0.00 C ATOM 325 C VAL A 33 1.735 5.345 -1.846 1.00 0.00 C ATOM 326 O VAL A 33 2.549 4.481 -2.165 1.00 0.00 O ATOM 327 CB VAL A 33 -0.165 5.593 -3.550 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.213 4.415 -4.465 1.00 0.00 C ATOM 329 CG2 VAL A 33 -1.207 5.115 -2.521 1.00 0.00 C ATOM 0 H VAL A 33 2.776 6.172 -4.088 1.00 0.00 H new ATOM 0 HA VAL A 33 0.658 7.112 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.600 6.376 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.690 3.994 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.875 4.767 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.722 3.649 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.046 4.653 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.750 4.387 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.563 5.967 -1.942 1.00 0.00 H new ATOM 339 N TYR A 34 1.403 5.567 -0.578 1.00 0.00 N ATOM 340 CA TYR A 34 1.956 4.874 0.577 1.00 0.00 C ATOM 341 C TYR A 34 0.919 3.874 1.095 1.00 0.00 C ATOM 342 O TYR A 34 -0.255 4.217 1.222 1.00 0.00 O ATOM 343 CB TYR A 34 2.315 5.883 1.689 1.00 0.00 C ATOM 344 CG TYR A 34 3.089 7.153 1.342 1.00 0.00 C ATOM 345 CD1 TYR A 34 3.788 7.318 0.126 1.00 0.00 C ATOM 346 CD2 TYR A 34 3.111 8.201 2.287 1.00 0.00 C ATOM 347 CE1 TYR A 34 4.468 8.516 -0.157 1.00 0.00 C ATOM 348 CE2 TYR A 34 3.804 9.397 2.019 1.00 0.00 C ATOM 349 CZ TYR A 34 4.484 9.562 0.792 1.00 0.00 C ATOM 350 OH TYR A 34 5.167 10.714 0.540 1.00 0.00 O ATOM 0 H TYR A 34 0.709 6.268 -0.318 1.00 0.00 H new ATOM 0 HA TYR A 34 2.865 4.349 0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.382 6.190 2.163 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.893 5.346 2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.800 6.514 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.591 8.084 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.979 8.636 -1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.816 10.189 2.753 1.00 0.00 H new ATOM 0 HH TYR A 34 5.070 11.325 1.300 1.00 0.00 H new ATOM 360 N MET A 35 1.352 2.661 1.429 1.00 0.00 N ATOM 361 CA MET A 35 0.621 1.696 2.249 1.00 0.00 C ATOM 362 C MET A 35 1.164 1.772 3.683 1.00 0.00 C ATOM 363 O MET A 35 2.326 2.119 3.892 1.00 0.00 O ATOM 364 CB MET A 35 0.798 0.312 1.601 1.00 0.00 C ATOM 365 CG MET A 35 -0.121 -0.798 2.127 1.00 0.00 C ATOM 366 SD MET A 35 0.421 -1.637 3.635 1.00 0.00 S ATOM 367 CE MET A 35 -0.955 -2.796 3.826 1.00 0.00 C ATOM 0 H MET A 35 2.259 2.308 1.124 1.00 0.00 H new ATOM 0 HA MET A 35 -0.447 1.906 2.302 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.637 0.412 0.528 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.832 -0.003 1.740 1.00 0.00 H new ATOM 0 HG2 MET A 35 -1.106 -0.369 2.309 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.239 -1.546 1.343 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.796 -3.407 4.715 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.887 -2.240 3.930 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.013 -3.440 2.949 1.00 0.00 H new ATOM 377 N HIS A 36 0.356 1.416 4.678 1.00 0.00 N ATOM 378 CA HIS A 36 0.705 1.489 6.106 1.00 0.00 C ATOM 379 C HIS A 36 2.042 0.797 6.491 1.00 0.00 C ATOM 380 O HIS A 36 2.694 1.202 7.457 1.00 0.00 O ATOM 381 CB HIS A 36 -0.478 0.901 6.889 1.00 0.00 C ATOM 382 CG HIS A 36 -0.351 1.059 8.381 1.00 0.00 C ATOM 383 ND1 HIS A 36 -0.435 2.268 9.075 1.00 0.00 N ATOM 384 CD2 HIS A 36 -0.136 0.049 9.272 1.00 0.00 C ATOM 385 CE1 HIS A 36 -0.262 1.953 10.370 1.00 0.00 C ATOM 386 NE2 HIS A 36 -0.080 0.629 10.519 1.00 0.00 N ATOM 0 H HIS A 36 -0.586 1.059 4.516 1.00 0.00 H new ATOM 0 HA HIS A 36 0.880 2.535 6.359 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.398 1.383 6.558 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.570 -0.159 6.651 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.030 -1.001 9.044 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.268 2.666 11.181 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.073 0.140 11.401 1.00 0.00 H new ATOM 394 N GLU A 37 2.467 -0.213 5.719 1.00 0.00 N ATOM 395 CA GLU A 37 3.734 -0.939 5.899 1.00 0.00 C ATOM 396 C GLU A 37 4.878 -0.439 4.989 1.00 0.00 C ATOM 397 O GLU A 37 6.040 -0.690 5.318 1.00 0.00 O ATOM 398 CB GLU A 37 3.506 -2.454 5.671 1.00 0.00 C ATOM 399 CG GLU A 37 2.585 -3.094 6.721 1.00 0.00 C ATOM 400 CD GLU A 37 3.161 -3.010 8.147 1.00 0.00 C ATOM 401 OE1 GLU A 37 4.300 -3.483 8.380 1.00 0.00 O ATOM 402 OE2 GLU A 37 2.473 -2.485 9.052 1.00 0.00 O ATOM 0 H GLU A 37 1.923 -0.558 4.928 1.00 0.00 H new ATOM 0 HA GLU A 37 4.054 -0.747 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.076 -2.605 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.469 -2.965 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.614 -2.600 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.417 -4.139 6.462 1.00 0.00 H new ATOM 409 N LYS A 38 4.603 0.243 3.857 1.00 0.00 N ATOM 410 CA LYS A 38 5.601 0.499 2.790 1.00 0.00 C ATOM 411 C LYS A 38 5.187 1.546 1.717 1.00 0.00 C ATOM 412 O LYS A 38 4.014 1.664 1.372 1.00 0.00 O ATOM 413 CB LYS A 38 6.008 -0.867 2.173 1.00 0.00 C ATOM 414 CG LYS A 38 4.989 -1.453 1.178 1.00 0.00 C ATOM 415 CD LYS A 38 5.087 -2.987 1.059 1.00 0.00 C ATOM 416 CE LYS A 38 4.350 -3.729 2.193 1.00 0.00 C ATOM 417 NZ LYS A 38 2.865 -3.779 1.976 1.00 0.00 N ATOM 0 H LYS A 38 3.683 0.633 3.654 1.00 0.00 H new ATOM 0 HA LYS A 38 6.460 0.980 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.965 -0.750 1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.161 -1.584 2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.982 -1.181 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.147 -1.006 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.673 -3.298 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.137 -3.280 1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.737 -4.745 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.559 -3.235 3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.510 -4.725 2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.402 -3.068 2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.653 -3.579 0.978 1.00 0.00 H new ATOM 431 N LYS A 39 6.148 2.276 1.131 1.00 0.00 N ATOM 432 CA LYS A 39 5.932 3.373 0.151 1.00 0.00 C ATOM 433 C LYS A 39 6.222 2.974 -1.320 1.00 0.00 C ATOM 434 O LYS A 39 7.276 2.402 -1.589 1.00 0.00 O ATOM 435 CB LYS A 39 6.820 4.550 0.619 1.00 0.00 C ATOM 436 CG LYS A 39 6.945 5.713 -0.383 1.00 0.00 C ATOM 437 CD LYS A 39 7.498 6.994 0.261 1.00 0.00 C ATOM 438 CE LYS A 39 8.909 6.804 0.839 1.00 0.00 C ATOM 439 NZ LYS A 39 9.464 8.081 1.366 1.00 0.00 N ATOM 0 H LYS A 39 7.137 2.120 1.328 1.00 0.00 H new ATOM 0 HA LYS A 39 4.877 3.646 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.418 4.939 1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.818 4.168 0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.598 5.412 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.966 5.922 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.518 7.790 -0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.825 7.317 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.878 6.063 1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.569 6.412 0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.417 7.914 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.516 8.780 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.847 8.442 2.121 1.00 0.00 H new ATOM 453 N LEU A 40 5.346 3.318 -2.282 1.00 0.00 N ATOM 454 CA LEU A 40 5.596 3.134 -3.732 1.00 0.00 C ATOM 455 C LEU A 40 5.162 4.343 -4.581 1.00 0.00 C ATOM 456 O LEU A 40 4.357 5.177 -4.168 1.00 0.00 O ATOM 457 CB LEU A 40 5.024 1.779 -4.199 1.00 0.00 C ATOM 458 CG LEU A 40 3.492 1.613 -4.129 1.00 0.00 C ATOM 459 CD1 LEU A 40 2.801 2.065 -5.424 1.00 0.00 C ATOM 460 CD2 LEU A 40 3.155 0.145 -3.842 1.00 0.00 C ATOM 0 H LEU A 40 4.437 3.735 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 40 6.673 3.093 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.337 1.614 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.479 0.992 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 40 3.121 2.249 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.724 1.930 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.020 3.117 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.168 1.469 -6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.073 0.023 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.554 -0.482 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.598 -0.151 -2.891 1.00 0.00 H new ATOM 472 N ASP A 41 5.718 4.444 -5.785 1.00 0.00 N ATOM 473 CA ASP A 41 5.730 5.676 -6.586 1.00 0.00 C ATOM 474 C ASP A 41 5.556 5.407 -8.092 1.00 0.00 C ATOM 475 O ASP A 41 6.228 6.008 -8.933 1.00 0.00 O ATOM 476 CB ASP A 41 6.985 6.506 -6.239 1.00 0.00 C ATOM 477 CG ASP A 41 8.325 5.863 -6.652 1.00 0.00 C ATOM 478 OD1 ASP A 41 8.670 4.780 -6.122 1.00 0.00 O ATOM 479 OD2 ASP A 41 9.051 6.470 -7.477 1.00 0.00 O ATOM 0 H ASP A 41 6.183 3.661 -6.244 1.00 0.00 H new ATOM 0 HA ASP A 41 4.858 6.275 -6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.903 7.480 -6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.000 6.682 -5.163 1.00 0.00 H new ATOM 484 N LEU A 42 4.655 4.476 -8.434 1.00 0.00 N ATOM 485 CA LEU A 42 4.241 4.210 -9.821 1.00 0.00 C ATOM 486 C LEU A 42 3.301 5.317 -10.354 1.00 0.00 C ATOM 487 O LEU A 42 3.106 6.355 -9.717 1.00 0.00 O ATOM 488 CB LEU A 42 3.675 2.765 -9.918 1.00 0.00 C ATOM 489 CG LEU A 42 4.078 1.903 -11.150 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.599 1.901 -11.349 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.662 0.451 -10.878 1.00 0.00 C ATOM 0 H LEU A 42 4.188 3.880 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 42 5.102 4.251 -10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.979 2.227 -9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.587 2.831 -9.898 1.00 0.00 H new ATOM 0 HG LEU A 42 3.592 2.317 -12.033 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.852 1.291 -12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.946 2.922 -11.509 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.081 1.489 -10.463 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.935 -0.171 -11.730 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.171 0.088 -9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.584 0.404 -10.725 1.00 0.00 H new ATOM 503 N THR A 43 2.752 5.115 -11.555 1.00 0.00 N ATOM 504 CA THR A 43 2.092 6.162 -12.362 1.00 0.00 C ATOM 505 C THR A 43 0.642 6.305 -11.917 1.00 0.00 C ATOM 506 O THR A 43 0.103 5.386 -11.314 1.00 0.00 O ATOM 507 CB THR A 43 2.243 5.842 -13.860 1.00 0.00 C ATOM 508 OG1 THR A 43 3.604 5.551 -14.114 1.00 0.00 O ATOM 509 CG2 THR A 43 1.848 6.997 -14.782 1.00 0.00 C ATOM 0 H THR A 43 2.750 4.202 -12.009 1.00 0.00 H new ATOM 0 HA THR A 43 2.570 7.129 -12.203 1.00 0.00 H new ATOM 0 HB THR A 43 1.575 5.007 -14.071 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.722 5.342 -15.064 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.982 6.695 -15.821 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.804 7.258 -14.611 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.477 7.862 -14.572 1.00 0.00 H new ATOM 517 N ARG A 44 -0.014 7.434 -12.200 1.00 0.00 N ATOM 518 CA ARG A 44 -1.333 7.784 -11.642 1.00 0.00 C ATOM 519 C ARG A 44 -2.387 6.665 -11.741 1.00 0.00 C ATOM 520 O ARG A 44 -3.094 6.397 -10.772 1.00 0.00 O ATOM 521 CB ARG A 44 -1.801 9.089 -12.304 1.00 0.00 C ATOM 522 CG ARG A 44 -2.985 9.799 -11.619 1.00 0.00 C ATOM 523 CD ARG A 44 -4.349 9.408 -12.199 1.00 0.00 C ATOM 524 NE ARG A 44 -5.439 10.141 -11.532 1.00 0.00 N ATOM 525 CZ ARG A 44 -6.734 10.074 -11.830 1.00 0.00 C ATOM 526 NH1 ARG A 44 -7.193 9.317 -12.807 1.00 0.00 N ATOM 527 NH2 ARG A 44 -7.599 10.791 -11.144 1.00 0.00 N ATOM 0 H ARG A 44 0.357 8.144 -12.832 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.217 7.925 -10.567 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.958 9.779 -12.339 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.079 8.872 -13.335 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.971 9.566 -10.554 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.855 10.877 -11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.367 9.618 -13.268 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.503 8.335 -12.082 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.175 10.761 -10.766 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.548 8.757 -13.364 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.193 9.292 -13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.275 11.394 -10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.593 10.743 -11.369 1.00 0.00 H new ATOM 541 N ALA A 45 -2.468 5.970 -12.879 1.00 0.00 N ATOM 542 CA ALA A 45 -3.370 4.825 -13.053 1.00 0.00 C ATOM 543 C ALA A 45 -2.972 3.625 -12.168 1.00 0.00 C ATOM 544 O ALA A 45 -3.841 3.028 -11.534 1.00 0.00 O ATOM 545 CB ALA A 45 -3.407 4.466 -14.542 1.00 0.00 C ATOM 0 H ALA A 45 -1.911 6.184 -13.706 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.372 5.099 -12.722 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.072 3.616 -14.695 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.772 5.320 -15.113 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.403 4.206 -14.879 1.00 0.00 H new ATOM 551 N GLU A 46 -1.676 3.317 -12.051 1.00 0.00 N ATOM 552 CA GLU A 46 -1.146 2.229 -11.229 1.00 0.00 C ATOM 553 C GLU A 46 -1.353 2.491 -9.735 1.00 0.00 C ATOM 554 O GLU A 46 -1.725 1.605 -8.964 1.00 0.00 O ATOM 555 CB GLU A 46 0.337 2.070 -11.538 1.00 0.00 C ATOM 556 CG GLU A 46 0.549 1.255 -12.809 1.00 0.00 C ATOM 557 CD GLU A 46 -0.105 1.894 -14.053 1.00 0.00 C ATOM 558 OE1 GLU A 46 0.494 2.835 -14.621 1.00 0.00 O ATOM 559 OE2 GLU A 46 -1.220 1.476 -14.447 1.00 0.00 O ATOM 0 H GLU A 46 -0.947 3.835 -12.541 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.685 1.312 -11.468 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.795 3.052 -11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.835 1.581 -10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.618 1.141 -12.986 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.141 0.255 -12.665 1.00 0.00 H new ATOM 566 N TYR A 47 -1.182 3.753 -9.356 1.00 0.00 N ATOM 567 CA TYR A 47 -1.626 4.285 -8.069 1.00 0.00 C ATOM 568 C TYR A 47 -3.123 4.005 -7.854 1.00 0.00 C ATOM 569 O TYR A 47 -3.452 3.387 -6.840 1.00 0.00 O ATOM 570 CB TYR A 47 -1.242 5.777 -7.941 1.00 0.00 C ATOM 571 CG TYR A 47 -2.266 6.683 -7.252 1.00 0.00 C ATOM 572 CD1 TYR A 47 -2.835 6.332 -6.010 1.00 0.00 C ATOM 573 CD2 TYR A 47 -2.708 7.857 -7.893 1.00 0.00 C ATOM 574 CE1 TYR A 47 -3.879 7.096 -5.457 1.00 0.00 C ATOM 575 CE2 TYR A 47 -3.743 8.636 -7.342 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.351 8.243 -6.132 1.00 0.00 C ATOM 577 OH TYR A 47 -5.393 8.969 -5.632 1.00 0.00 O ATOM 0 H TYR A 47 -0.723 4.449 -9.944 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.108 3.770 -7.260 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.303 5.843 -7.392 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.055 6.169 -8.941 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.465 5.468 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.246 8.164 -8.820 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.320 6.805 -4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.071 9.533 -7.845 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.581 9.724 -6.228 1.00 0.00 H new ATOM 587 N GLU A 48 -4.000 4.396 -8.792 1.00 0.00 N ATOM 588 CA GLU A 48 -5.449 4.175 -8.691 1.00 0.00 C ATOM 589 C GLU A 48 -5.781 2.706 -8.390 1.00 0.00 C ATOM 590 O GLU A 48 -6.580 2.417 -7.497 1.00 0.00 O ATOM 591 CB GLU A 48 -6.165 4.586 -9.995 1.00 0.00 C ATOM 592 CG GLU A 48 -7.650 4.885 -9.775 1.00 0.00 C ATOM 593 CD GLU A 48 -7.881 6.199 -9.009 1.00 0.00 C ATOM 594 OE1 GLU A 48 -7.621 7.286 -9.578 1.00 0.00 O ATOM 595 OE2 GLU A 48 -8.367 6.159 -7.854 1.00 0.00 O ATOM 0 H GLU A 48 -3.721 4.877 -9.647 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.801 4.795 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.677 5.467 -10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.063 3.787 -10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.153 4.938 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.105 4.062 -9.223 1.00 0.00 H new ATOM 602 N ILE A 49 -5.145 1.765 -9.103 1.00 0.00 N ATOM 603 CA ILE A 49 -5.370 0.330 -8.849 1.00 0.00 C ATOM 604 C ILE A 49 -4.905 -0.064 -7.457 1.00 0.00 C ATOM 605 O ILE A 49 -5.663 -0.721 -6.757 1.00 0.00 O ATOM 606 CB ILE A 49 -4.713 -0.645 -9.859 1.00 0.00 C ATOM 607 CG1 ILE A 49 -4.040 0.052 -11.033 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.733 -1.679 -10.355 1.00 0.00 C ATOM 609 CD1 ILE A 49 -3.209 -0.869 -11.919 1.00 0.00 C ATOM 0 H ILE A 49 -4.480 1.965 -9.850 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.449 0.226 -8.962 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.918 -1.154 -9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.806 0.530 -11.644 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.397 0.845 -10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.252 -2.354 -11.063 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.112 -2.251 -9.508 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.560 -1.167 -10.847 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.766 -0.291 -12.730 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.418 -1.328 -11.326 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.848 -1.647 -12.336 1.00 0.00 H new ATOM 621 N LEU A 50 -3.671 0.273 -7.069 1.00 0.00 N ATOM 622 CA LEU A 50 -3.086 -0.242 -5.829 1.00 0.00 C ATOM 623 C LEU A 50 -3.732 0.405 -4.584 1.00 0.00 C ATOM 624 O LEU A 50 -3.984 -0.278 -3.594 1.00 0.00 O ATOM 625 CB LEU A 50 -1.554 -0.089 -5.925 1.00 0.00 C ATOM 626 CG LEU A 50 -0.761 -1.223 -5.241 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.640 -1.301 -5.860 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.666 -1.033 -3.721 1.00 0.00 C ATOM 0 H LEU A 50 -3.060 0.898 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.300 -1.303 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.270 -0.045 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.266 0.862 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.296 -2.158 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.205 -2.100 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.555 -1.506 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.156 -0.353 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.099 -1.856 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.163 -0.091 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.668 -1.017 -3.293 1.00 0.00 H new ATOM 640 N SER A 51 -4.107 1.685 -4.636 1.00 0.00 N ATOM 641 CA SER A 51 -4.947 2.302 -3.600 1.00 0.00 C ATOM 642 C SER A 51 -6.339 1.657 -3.510 1.00 0.00 C ATOM 643 O SER A 51 -6.766 1.297 -2.407 1.00 0.00 O ATOM 644 CB SER A 51 -5.064 3.817 -3.825 1.00 0.00 C ATOM 645 OG SER A 51 -5.777 4.143 -5.008 1.00 0.00 O ATOM 0 H SER A 51 -3.842 2.320 -5.389 1.00 0.00 H new ATOM 0 HA SER A 51 -4.453 2.125 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.564 4.270 -2.969 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.065 4.250 -3.877 1.00 0.00 H new ATOM 0 HG SER A 51 -5.203 3.992 -5.788 1.00 0.00 H new ATOM 651 N LEU A 52 -7.025 1.422 -4.642 1.00 0.00 N ATOM 652 CA LEU A 52 -8.307 0.714 -4.631 1.00 0.00 C ATOM 653 C LEU A 52 -8.138 -0.712 -4.103 1.00 0.00 C ATOM 654 O LEU A 52 -8.953 -1.144 -3.303 1.00 0.00 O ATOM 655 CB LEU A 52 -8.924 0.734 -6.040 1.00 0.00 C ATOM 656 CG LEU A 52 -10.457 0.582 -6.154 1.00 0.00 C ATOM 657 CD1 LEU A 52 -10.960 -0.834 -5.859 1.00 0.00 C ATOM 658 CD2 LEU A 52 -11.230 1.599 -5.298 1.00 0.00 C ATOM 0 H LEU A 52 -6.712 1.712 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.992 1.224 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.644 1.674 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.463 -0.066 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.663 0.792 -7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.045 -0.863 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.512 -1.534 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.682 -1.115 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.301 1.440 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.963 1.469 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.975 2.610 -5.615 1.00 0.00 H new ATOM 670 N LEU A 53 -7.067 -1.416 -4.480 1.00 0.00 N ATOM 671 CA LEU A 53 -6.722 -2.763 -4.017 1.00 0.00 C ATOM 672 C LEU A 53 -6.610 -2.815 -2.489 1.00 0.00 C ATOM 673 O LEU A 53 -7.227 -3.668 -1.855 1.00 0.00 O ATOM 674 CB LEU A 53 -5.408 -3.170 -4.699 1.00 0.00 C ATOM 675 CG LEU A 53 -5.002 -4.638 -4.528 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.863 -5.563 -5.403 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.522 -4.752 -4.884 1.00 0.00 C ATOM 0 H LEU A 53 -6.387 -1.047 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.509 -3.467 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.491 -2.956 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.607 -2.542 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.165 -4.955 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.549 -6.597 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.911 -5.459 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.740 -5.290 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.200 -5.787 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.370 -4.434 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.938 -4.116 -4.219 1.00 0.00 H new ATOM 689 N ILE A 54 -5.875 -1.878 -1.882 1.00 0.00 N ATOM 690 CA ILE A 54 -5.813 -1.749 -0.414 1.00 0.00 C ATOM 691 C ILE A 54 -7.207 -1.449 0.171 1.00 0.00 C ATOM 692 O ILE A 54 -7.578 -2.041 1.183 1.00 0.00 O ATOM 693 CB ILE A 54 -4.755 -0.689 -0.014 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.329 -1.113 -0.452 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.756 -0.454 1.509 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.353 0.068 -0.538 1.00 0.00 C ATOM 0 H ILE A 54 -5.310 -1.192 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.496 -2.699 0.016 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.026 0.234 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.941 -1.847 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.384 -1.603 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.005 0.294 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.739 -0.102 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.525 -1.388 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.372 -0.292 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.721 0.792 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.271 0.544 0.439 1.00 0.00 H new ATOM 708 N SER A 55 -8.003 -0.593 -0.473 1.00 0.00 N ATOM 709 CA SER A 55 -9.378 -0.293 -0.040 1.00 0.00 C ATOM 710 C SER A 55 -10.341 -1.509 -0.098 1.00 0.00 C ATOM 711 O SER A 55 -11.095 -1.747 0.851 1.00 0.00 O ATOM 712 CB SER A 55 -9.944 0.862 -0.881 1.00 0.00 C ATOM 713 OG SER A 55 -11.072 1.448 -0.243 1.00 0.00 O ATOM 0 H SER A 55 -7.717 -0.086 -1.310 1.00 0.00 H new ATOM 0 HA SER A 55 -9.312 -0.011 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.174 1.618 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.229 0.494 -1.867 1.00 0.00 H new ATOM 0 HG SER A 55 -11.415 2.182 -0.795 1.00 0.00 H new ATOM 719 N LYS A 56 -10.316 -2.306 -1.182 1.00 0.00 N ATOM 720 CA LYS A 56 -11.163 -3.502 -1.369 1.00 0.00 C ATOM 721 C LYS A 56 -10.602 -4.774 -0.701 1.00 0.00 C ATOM 722 O LYS A 56 -11.314 -5.777 -0.615 1.00 0.00 O ATOM 723 CB LYS A 56 -11.502 -3.716 -2.865 1.00 0.00 C ATOM 724 CG LYS A 56 -10.359 -4.198 -3.783 1.00 0.00 C ATOM 725 CD LYS A 56 -10.864 -4.417 -5.224 1.00 0.00 C ATOM 726 CE LYS A 56 -9.742 -4.647 -6.263 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.311 -4.898 -7.618 1.00 0.00 N ATOM 0 H LYS A 56 -9.693 -2.134 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.096 -3.303 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.314 -4.440 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.882 -2.775 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.554 -3.464 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.943 -5.127 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.535 -5.276 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.451 -3.550 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.087 -3.776 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.129 -5.495 -5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.647 -5.476 -8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.216 -5.402 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.468 -3.991 -8.102 1.00 0.00 H new ATOM 741 N LYS A 57 -9.345 -4.706 -0.241 1.00 0.00 N ATOM 742 CA LYS A 57 -8.512 -5.700 0.462 1.00 0.00 C ATOM 743 C LYS A 57 -7.617 -6.477 -0.521 1.00 0.00 C ATOM 744 O LYS A 57 -7.952 -6.640 -1.698 1.00 0.00 O ATOM 745 CB LYS A 57 -9.286 -6.648 1.401 1.00 0.00 C ATOM 746 CG LYS A 57 -10.057 -5.900 2.506 1.00 0.00 C ATOM 747 CD LYS A 57 -10.609 -6.837 3.592 1.00 0.00 C ATOM 748 CE LYS A 57 -11.648 -7.822 3.035 1.00 0.00 C ATOM 749 NZ LYS A 57 -12.221 -8.685 4.104 1.00 0.00 N ATOM 0 H LYS A 57 -8.818 -3.842 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.875 -5.116 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.987 -7.241 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.587 -7.346 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.397 -5.166 2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.882 -5.348 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.787 -7.394 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.063 -6.243 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.450 -7.267 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.184 -8.448 2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.918 -9.336 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.460 -9.233 4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.686 -8.090 4.819 1.00 0.00 H new ATOM 763 N GLY A 58 -6.468 -6.952 -0.016 1.00 0.00 N ATOM 764 CA GLY A 58 -5.294 -7.322 -0.815 1.00 0.00 C ATOM 765 C GLY A 58 -5.572 -8.295 -1.963 1.00 0.00 C ATOM 766 O GLY A 58 -5.276 -7.956 -3.109 1.00 0.00 O ATOM 0 H GLY A 58 -6.328 -7.092 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.853 -6.414 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.549 -7.766 -0.155 1.00 0.00 H new ATOM 770 N TYR A 59 -6.156 -9.466 -1.676 1.00 0.00 N ATOM 771 CA TYR A 59 -6.653 -10.419 -2.672 1.00 0.00 C ATOM 772 C TYR A 59 -5.517 -10.870 -3.614 1.00 0.00 C ATOM 773 O TYR A 59 -4.345 -10.896 -3.232 1.00 0.00 O ATOM 774 CB TYR A 59 -7.910 -9.791 -3.324 1.00 0.00 C ATOM 775 CG TYR A 59 -8.730 -10.689 -4.234 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.255 -11.903 -3.748 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.927 -10.334 -5.584 1.00 0.00 C ATOM 778 CE1 TYR A 59 -9.964 -12.765 -4.608 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.632 -11.192 -6.448 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.153 -12.413 -5.964 1.00 0.00 C ATOM 781 OH TYR A 59 -10.834 -13.241 -6.806 1.00 0.00 O ATOM 0 H TYR A 59 -6.299 -9.783 -0.717 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.979 -11.364 -2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.561 -9.429 -2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.595 -8.920 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.113 -12.174 -2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.535 -9.399 -5.957 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.363 -13.695 -4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.775 -10.917 -7.483 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.870 -12.841 -7.700 1.00 0.00 H new ATOM 791 N VAL A 60 -5.860 -11.244 -4.839 1.00 0.00 N ATOM 792 CA VAL A 60 -4.906 -11.448 -5.933 1.00 0.00 C ATOM 793 C VAL A 60 -5.116 -10.392 -7.028 1.00 0.00 C ATOM 794 O VAL A 60 -6.232 -10.130 -7.473 1.00 0.00 O ATOM 795 CB VAL A 60 -4.934 -12.906 -6.419 1.00 0.00 C ATOM 796 CG1 VAL A 60 -6.240 -13.317 -7.121 1.00 0.00 C ATOM 797 CG2 VAL A 60 -3.723 -13.196 -7.321 1.00 0.00 C ATOM 0 H VAL A 60 -6.827 -11.419 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.888 -11.294 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.881 -13.517 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.174 -14.360 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.077 -13.195 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.396 -12.687 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.759 -14.233 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.747 -12.534 -8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.803 -13.027 -6.761 1.00 0.00 H new ATOM 807 N PHE A 61 -4.011 -9.733 -7.376 1.00 0.00 N ATOM 808 CA PHE A 61 -3.908 -8.527 -8.193 1.00 0.00 C ATOM 809 C PHE A 61 -3.486 -8.928 -9.617 1.00 0.00 C ATOM 810 O PHE A 61 -2.348 -9.338 -9.843 1.00 0.00 O ATOM 811 CB PHE A 61 -2.880 -7.641 -7.463 1.00 0.00 C ATOM 812 CG PHE A 61 -2.703 -6.186 -7.849 1.00 0.00 C ATOM 813 CD1 PHE A 61 -3.745 -5.420 -8.405 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.504 -5.549 -7.478 1.00 0.00 C ATOM 815 CE1 PHE A 61 -3.565 -4.041 -8.600 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.301 -4.185 -7.739 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.337 -3.425 -8.304 1.00 0.00 C ATOM 0 H PHE A 61 -3.093 -10.055 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.843 -7.978 -8.308 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.132 -7.664 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.908 -8.122 -7.570 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.678 -5.890 -8.680 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.729 -6.118 -6.986 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.381 -3.446 -8.983 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.353 -3.723 -7.506 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.192 -2.375 -8.510 1.00 0.00 H new ATOM 827 N SER A 62 -4.436 -8.881 -10.553 1.00 0.00 N ATOM 828 CA SER A 62 -4.456 -9.709 -11.778 1.00 0.00 C ATOM 829 C SER A 62 -4.763 -8.911 -13.050 1.00 0.00 C ATOM 830 O SER A 62 -5.436 -7.892 -12.968 1.00 0.00 O ATOM 831 CB SER A 62 -5.619 -10.702 -11.647 1.00 0.00 C ATOM 832 OG SER A 62 -5.421 -11.622 -10.583 1.00 0.00 O ATOM 0 H SER A 62 -5.237 -8.253 -10.486 1.00 0.00 H new ATOM 0 HA SER A 62 -3.469 -10.162 -11.866 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.546 -10.153 -11.483 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.734 -11.250 -12.582 1.00 0.00 H new ATOM 0 HG SER A 62 -6.185 -12.234 -10.534 1.00 0.00 H new ATOM 838 N ARG A 63 -4.401 -9.430 -14.236 1.00 0.00 N ATOM 839 CA ARG A 63 -4.696 -8.842 -15.563 1.00 0.00 C ATOM 840 C ARG A 63 -6.111 -8.239 -15.696 1.00 0.00 C ATOM 841 O ARG A 63 -6.246 -7.064 -16.033 1.00 0.00 O ATOM 842 CB ARG A 63 -4.431 -9.888 -16.667 1.00 0.00 C ATOM 843 CG ARG A 63 -2.958 -10.332 -16.702 1.00 0.00 C ATOM 844 CD ARG A 63 -2.667 -11.315 -17.843 1.00 0.00 C ATOM 845 NE ARG A 63 -1.300 -11.871 -17.735 1.00 0.00 N ATOM 846 CZ ARG A 63 -0.151 -11.280 -18.046 1.00 0.00 C ATOM 847 NH1 ARG A 63 -0.101 -10.054 -18.523 1.00 0.00 N ATOM 848 NH2 ARG A 63 0.981 -11.927 -17.876 1.00 0.00 N ATOM 0 H ARG A 63 -3.876 -10.302 -14.304 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.020 -7.995 -15.680 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.067 -10.757 -16.502 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.706 -9.470 -17.635 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.320 -9.455 -16.811 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.700 -10.798 -15.751 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.395 -12.126 -17.822 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.782 -10.808 -18.801 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.231 -12.824 -17.378 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.962 -9.526 -18.665 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.799 -9.632 -18.751 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.974 -12.878 -17.507 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.866 -11.478 -18.113 1.00 0.00 H new ATOM 862 N GLU A 64 -7.154 -9.015 -15.377 1.00 0.00 N ATOM 863 CA GLU A 64 -8.555 -8.568 -15.449 1.00 0.00 C ATOM 864 C GLU A 64 -8.846 -7.435 -14.449 1.00 0.00 C ATOM 865 O GLU A 64 -9.276 -6.351 -14.831 1.00 0.00 O ATOM 866 CB GLU A 64 -9.479 -9.771 -15.198 1.00 0.00 C ATOM 867 CG GLU A 64 -10.934 -9.476 -15.575 1.00 0.00 C ATOM 868 CD GLU A 64 -11.808 -10.726 -15.395 1.00 0.00 C ATOM 869 OE1 GLU A 64 -11.939 -11.523 -16.356 1.00 0.00 O ATOM 870 OE2 GLU A 64 -12.374 -10.925 -14.294 1.00 0.00 O ATOM 0 H GLU A 64 -7.051 -9.979 -15.059 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.741 -8.164 -16.444 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.123 -10.626 -15.773 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.428 -10.052 -14.146 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.318 -8.666 -14.955 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.985 -9.137 -16.610 1.00 0.00 H new ATOM 877 N SER A 65 -8.571 -7.661 -13.165 1.00 0.00 N ATOM 878 CA SER A 65 -8.785 -6.672 -12.092 1.00 0.00 C ATOM 879 C SER A 65 -8.026 -5.358 -12.351 1.00 0.00 C ATOM 880 O SER A 65 -8.562 -4.265 -12.168 1.00 0.00 O ATOM 881 CB SER A 65 -8.338 -7.273 -10.751 1.00 0.00 C ATOM 882 OG SER A 65 -8.960 -8.533 -10.522 1.00 0.00 O ATOM 0 H SER A 65 -8.188 -8.545 -12.829 1.00 0.00 H new ATOM 0 HA SER A 65 -9.848 -6.434 -12.066 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.255 -7.392 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.587 -6.588 -9.941 1.00 0.00 H new ATOM 0 HG SER A 65 -8.658 -8.896 -9.663 1.00 0.00 H new ATOM 888 N ILE A 66 -6.787 -5.458 -12.840 1.00 0.00 N ATOM 889 CA ILE A 66 -5.963 -4.323 -13.303 1.00 0.00 C ATOM 890 C ILE A 66 -6.636 -3.538 -14.436 1.00 0.00 C ATOM 891 O ILE A 66 -6.771 -2.318 -14.348 1.00 0.00 O ATOM 892 CB ILE A 66 -4.576 -4.851 -13.736 1.00 0.00 C ATOM 893 CG1 ILE A 66 -3.780 -5.390 -12.526 1.00 0.00 C ATOM 894 CG2 ILE A 66 -3.795 -3.798 -14.534 1.00 0.00 C ATOM 895 CD1 ILE A 66 -2.860 -4.399 -11.813 1.00 0.00 C ATOM 0 H ILE A 66 -6.310 -6.355 -12.930 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.846 -3.622 -12.477 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.733 -5.693 -14.410 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.491 -5.779 -11.797 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.176 -6.232 -12.864 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.825 -4.205 -14.821 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.356 -3.530 -15.429 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.648 -2.910 -13.919 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.360 -4.899 -10.984 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.114 -4.025 -12.515 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.449 -3.565 -11.431 1.00 0.00 H new ATOM 907 N ALA A 67 -7.071 -4.231 -15.485 1.00 0.00 N ATOM 908 CA ALA A 67 -7.779 -3.660 -16.630 1.00 0.00 C ATOM 909 C ALA A 67 -9.137 -3.059 -16.231 1.00 0.00 C ATOM 910 O ALA A 67 -9.634 -2.170 -16.918 1.00 0.00 O ATOM 911 CB ALA A 67 -7.959 -4.754 -17.690 1.00 0.00 C ATOM 0 H ALA A 67 -6.936 -5.239 -15.565 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.185 -2.840 -17.034 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.486 -4.343 -18.551 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.982 -5.121 -18.004 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.537 -5.577 -17.269 1.00 0.00 H new ATOM 917 N ILE A 68 -9.721 -3.511 -15.116 1.00 0.00 N ATOM 918 CA ILE A 68 -10.934 -2.917 -14.537 1.00 0.00 C ATOM 919 C ILE A 68 -10.608 -1.632 -13.749 1.00 0.00 C ATOM 920 O ILE A 68 -11.302 -0.631 -13.952 1.00 0.00 O ATOM 921 CB ILE A 68 -11.712 -3.979 -13.719 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.331 -5.030 -14.674 1.00 0.00 C ATOM 923 CG2 ILE A 68 -12.826 -3.341 -12.868 1.00 0.00 C ATOM 924 CD1 ILE A 68 -12.842 -6.293 -13.967 1.00 0.00 C ATOM 0 H ILE A 68 -9.364 -4.305 -14.585 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.600 -2.598 -15.339 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.004 -4.459 -13.044 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.157 -4.571 -15.217 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.584 -5.317 -15.414 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.348 -4.118 -12.310 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.388 -2.626 -12.172 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.532 -2.826 -13.520 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.260 -6.979 -14.704 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.016 -6.779 -13.447 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.613 -6.020 -13.247 1.00 0.00 H new ATOM 936 N GLU A 69 -9.577 -1.617 -12.886 1.00 0.00 N ATOM 937 CA GLU A 69 -9.332 -0.468 -11.992 1.00 0.00 C ATOM 938 C GLU A 69 -8.314 0.582 -12.506 1.00 0.00 C ATOM 939 O GLU A 69 -8.486 1.759 -12.184 1.00 0.00 O ATOM 940 CB GLU A 69 -8.949 -0.941 -10.578 1.00 0.00 C ATOM 941 CG GLU A 69 -9.999 -0.666 -9.502 1.00 0.00 C ATOM 942 CD GLU A 69 -11.234 -1.572 -9.586 1.00 0.00 C ATOM 943 OE1 GLU A 69 -11.126 -2.767 -9.222 1.00 0.00 O ATOM 944 OE2 GLU A 69 -12.327 -1.073 -9.945 1.00 0.00 O ATOM 0 H GLU A 69 -8.905 -2.378 -12.788 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.286 0.059 -11.968 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.754 -2.013 -10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.017 -0.456 -10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.539 -0.787 -8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.318 0.373 -9.578 1.00 0.00 H new ATOM 951 N SER A 70 -7.282 0.236 -13.294 1.00 0.00 N ATOM 952 CA SER A 70 -6.486 1.261 -14.017 1.00 0.00 C ATOM 953 C SER A 70 -7.166 1.606 -15.348 1.00 0.00 C ATOM 954 O SER A 70 -7.483 2.774 -15.590 1.00 0.00 O ATOM 955 CB SER A 70 -5.005 0.857 -14.219 1.00 0.00 C ATOM 956 OG SER A 70 -4.508 1.104 -15.533 1.00 0.00 O ATOM 0 H SER A 70 -6.978 -0.725 -13.450 1.00 0.00 H new ATOM 0 HA SER A 70 -6.458 2.152 -13.389 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.390 1.400 -13.502 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.895 -0.204 -13.994 1.00 0.00 H new ATOM 0 HG SER A 70 -3.570 0.827 -15.585 1.00 0.00 H new ATOM 962 N GLU A 71 -7.389 0.590 -16.199 1.00 0.00 N ATOM 963 CA GLU A 71 -8.065 0.711 -17.500 1.00 0.00 C ATOM 964 C GLU A 71 -7.312 1.652 -18.482 1.00 0.00 C ATOM 965 O GLU A 71 -7.872 2.136 -19.466 1.00 0.00 O ATOM 966 CB GLU A 71 -9.543 1.080 -17.249 1.00 0.00 C ATOM 967 CG GLU A 71 -10.493 0.764 -18.414 1.00 0.00 C ATOM 968 CD GLU A 71 -11.959 0.998 -18.015 1.00 0.00 C ATOM 969 OE1 GLU A 71 -12.353 2.168 -17.791 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.747 0.023 -17.959 1.00 0.00 O ATOM 0 H GLU A 71 -7.095 -0.365 -15.994 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.048 -0.246 -18.021 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.890 0.550 -16.362 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.604 2.146 -17.028 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.242 1.389 -19.271 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.359 -0.272 -18.725 1.00 0.00 H new ATOM 977 N SER A 72 -6.026 1.929 -18.231 1.00 0.00 N ATOM 978 CA SER A 72 -5.224 2.884 -19.020 1.00 0.00 C ATOM 979 C SER A 72 -4.886 2.381 -20.443 1.00 0.00 C ATOM 980 O SER A 72 -4.620 3.176 -21.351 1.00 0.00 O ATOM 981 CB SER A 72 -3.940 3.208 -18.236 1.00 0.00 C ATOM 982 OG SER A 72 -3.275 4.354 -18.757 1.00 0.00 O ATOM 0 H SER A 72 -5.505 1.495 -17.469 1.00 0.00 H new ATOM 0 HA SER A 72 -5.824 3.782 -19.166 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.187 3.377 -17.188 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.267 2.351 -18.271 1.00 0.00 H new ATOM 0 HG SER A 72 -2.466 4.529 -18.233 1.00 0.00 H new ATOM 988 N ILE A 73 -4.930 1.058 -20.662 1.00 0.00 N ATOM 989 CA ILE A 73 -4.681 0.379 -21.948 1.00 0.00 C ATOM 990 C ILE A 73 -5.959 -0.348 -22.412 1.00 0.00 C ATOM 991 O ILE A 73 -6.660 -0.967 -21.611 1.00 0.00 O ATOM 992 CB ILE A 73 -3.455 -0.557 -21.794 1.00 0.00 C ATOM 993 CG1 ILE A 73 -2.140 0.226 -21.545 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.279 -1.523 -22.979 1.00 0.00 C ATOM 995 CD1 ILE A 73 -1.695 1.176 -22.668 1.00 0.00 C ATOM 0 H ILE A 73 -5.150 0.400 -19.914 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.439 1.098 -22.731 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.669 -1.157 -20.910 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.255 0.807 -20.630 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.341 -0.494 -21.368 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.404 -2.150 -22.810 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.164 -2.152 -23.070 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.144 -0.952 -23.897 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.765 1.667 -22.382 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.538 0.607 -23.585 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.466 1.928 -22.835 1.00 0.00 H new ATOM 1007 N ASN A 74 -6.271 -0.248 -23.709 1.00 0.00 N ATOM 1008 CA ASN A 74 -7.598 -0.551 -24.268 1.00 0.00 C ATOM 1009 C ASN A 74 -8.073 -2.026 -24.169 1.00 0.00 C ATOM 1010 O ASN A 74 -9.203 -2.226 -23.703 1.00 0.00 O ATOM 1011 CB ASN A 74 -7.669 -0.031 -25.718 1.00 0.00 C ATOM 1012 CG ASN A 74 -7.525 1.488 -25.796 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -6.435 2.017 -25.980 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -8.607 2.230 -25.638 1.00 0.00 N ATOM 0 H ASN A 74 -5.598 0.051 -24.414 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.307 -0.026 -23.628 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.882 -0.499 -26.309 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.619 -0.327 -26.162 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.537 3.247 -25.669 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.512 1.786 -25.485 1.00 0.00 H new ATOM 1021 N PRO A 75 -7.303 -3.054 -24.602 1.00 0.00 N ATOM 1022 CA PRO A 75 -7.751 -4.450 -24.563 1.00 0.00 C ATOM 1023 C PRO A 75 -7.881 -4.970 -23.126 1.00 0.00 C ATOM 1024 O PRO A 75 -7.059 -4.655 -22.268 1.00 0.00 O ATOM 1025 CB PRO A 75 -6.724 -5.254 -25.370 1.00 0.00 C ATOM 1026 CG PRO A 75 -5.460 -4.402 -25.285 1.00 0.00 C ATOM 1027 CD PRO A 75 -6.022 -2.982 -25.298 1.00 0.00 C ATOM 0 HA PRO A 75 -8.748 -4.549 -24.993 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.569 -6.246 -24.947 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -7.045 -5.394 -26.402 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.892 -4.606 -24.377 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.791 -4.582 -26.126 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.345 -2.289 -24.799 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.151 -2.622 -26.319 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.904 -5.795 -22.875 1.00 0.00 N ATOM 1036 CA GLU A 76 -9.302 -6.252 -21.534 1.00 0.00 C ATOM 1037 C GLU A 76 -8.300 -7.208 -20.849 1.00 0.00 C ATOM 1038 O GLU A 76 -8.387 -7.443 -19.643 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.704 -6.879 -21.617 1.00 0.00 C ATOM 1040 CG GLU A 76 -10.766 -8.186 -22.421 1.00 0.00 C ATOM 1041 CD GLU A 76 -12.210 -8.698 -22.521 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -12.927 -8.317 -23.478 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -12.642 -9.490 -21.650 1.00 0.00 O ATOM 0 H GLU A 76 -9.494 -6.174 -23.616 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.311 -5.371 -20.892 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.064 -7.071 -20.606 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.386 -6.157 -22.066 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.364 -8.022 -23.421 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.140 -8.941 -21.945 1.00 0.00 H new ATOM 1050 N SER A 77 -7.338 -7.757 -21.593 1.00 0.00 N ATOM 1051 CA SER A 77 -6.204 -8.528 -21.058 1.00 0.00 C ATOM 1052 C SER A 77 -4.989 -7.652 -20.683 1.00 0.00 C ATOM 1053 O SER A 77 -4.106 -8.119 -19.962 1.00 0.00 O ATOM 1054 CB SER A 77 -5.783 -9.565 -22.112 1.00 0.00 C ATOM 1055 OG SER A 77 -5.472 -8.943 -23.359 1.00 0.00 O ATOM 0 H SER A 77 -7.322 -7.678 -22.610 1.00 0.00 H new ATOM 0 HA SER A 77 -6.536 -9.005 -20.136 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.915 -10.119 -21.753 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.586 -10.288 -22.255 1.00 0.00 H new ATOM 0 HG SER A 77 -5.206 -9.627 -24.008 1.00 0.00 H new ATOM 1061 N SER A 78 -4.951 -6.407 -21.186 1.00 0.00 N ATOM 1062 CA SER A 78 -3.899 -5.375 -21.078 1.00 0.00 C ATOM 1063 C SER A 78 -2.454 -5.872 -20.839 1.00 0.00 C ATOM 1064 O SER A 78 -1.720 -5.356 -19.996 1.00 0.00 O ATOM 1065 CB SER A 78 -4.350 -4.231 -20.148 1.00 0.00 C ATOM 1066 OG SER A 78 -4.533 -4.630 -18.798 1.00 0.00 O ATOM 0 H SER A 78 -5.737 -6.060 -21.736 1.00 0.00 H new ATOM 0 HA SER A 78 -3.796 -4.967 -22.084 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.609 -3.432 -20.184 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.285 -3.816 -20.525 1.00 0.00 H new ATOM 0 HG SER A 78 -4.816 -3.858 -18.264 1.00 0.00 H new ATOM 1072 N ASN A 79 -2.009 -6.869 -21.616 1.00 0.00 N ATOM 1073 CA ASN A 79 -0.801 -7.657 -21.337 1.00 0.00 C ATOM 1074 C ASN A 79 0.471 -6.807 -21.129 1.00 0.00 C ATOM 1075 O ASN A 79 1.197 -7.008 -20.155 1.00 0.00 O ATOM 1076 CB ASN A 79 -0.636 -8.675 -22.481 1.00 0.00 C ATOM 1077 CG ASN A 79 0.524 -9.643 -22.258 1.00 0.00 C ATOM 1078 OD1 ASN A 79 1.677 -9.334 -22.532 1.00 0.00 O ATOM 1079 ND2 ASN A 79 0.259 -10.834 -21.747 1.00 0.00 N ATOM 0 H ASN A 79 -2.487 -7.155 -22.471 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.931 -8.167 -20.382 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.560 -9.243 -22.590 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.479 -8.139 -23.417 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.016 -11.497 -21.580 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.702 -11.089 -21.520 1.00 0.00 H new ATOM 1086 N LYS A 80 0.706 -5.808 -21.993 1.00 0.00 N ATOM 1087 CA LYS A 80 1.845 -4.874 -21.882 1.00 0.00 C ATOM 1088 C LYS A 80 1.656 -3.828 -20.772 1.00 0.00 C ATOM 1089 O LYS A 80 2.644 -3.359 -20.205 1.00 0.00 O ATOM 1090 CB LYS A 80 2.102 -4.206 -23.250 1.00 0.00 C ATOM 1091 CG LYS A 80 2.927 -5.056 -24.234 1.00 0.00 C ATOM 1092 CD LYS A 80 2.229 -6.339 -24.717 1.00 0.00 C ATOM 1093 CE LYS A 80 3.004 -7.047 -25.842 1.00 0.00 C ATOM 1094 NZ LYS A 80 4.277 -7.661 -25.372 1.00 0.00 N ATOM 0 H LYS A 80 0.107 -5.621 -22.797 1.00 0.00 H new ATOM 0 HA LYS A 80 2.722 -5.454 -21.594 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.143 -3.970 -23.710 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.618 -3.260 -23.086 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.175 -4.445 -25.102 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.868 -5.328 -23.757 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.111 -7.023 -23.876 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.228 -6.092 -25.070 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.373 -7.821 -26.279 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.223 -6.329 -26.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.756 -8.123 -26.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.894 -6.922 -24.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.071 -8.367 -24.637 1.00 0.00 H new ATOM 1108 N SER A 81 0.416 -3.528 -20.376 1.00 0.00 N ATOM 1109 CA SER A 81 0.168 -2.796 -19.128 1.00 0.00 C ATOM 1110 C SER A 81 0.687 -3.625 -17.954 1.00 0.00 C ATOM 1111 O SER A 81 1.600 -3.180 -17.275 1.00 0.00 O ATOM 1112 CB SER A 81 -1.314 -2.441 -18.952 1.00 0.00 C ATOM 1113 OG SER A 81 -1.452 -1.381 -18.018 1.00 0.00 O ATOM 0 H SER A 81 -0.426 -3.777 -20.895 1.00 0.00 H new ATOM 0 HA SER A 81 0.704 -1.848 -19.166 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.743 -2.150 -19.911 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.867 -3.315 -18.607 1.00 0.00 H new ATOM 0 HG SER A 81 -2.401 -1.159 -17.913 1.00 0.00 H new ATOM 1119 N ILE A 82 0.241 -4.873 -17.762 1.00 0.00 N ATOM 1120 CA ILE A 82 0.708 -5.692 -16.620 1.00 0.00 C ATOM 1121 C ILE A 82 2.233 -5.908 -16.650 1.00 0.00 C ATOM 1122 O ILE A 82 2.859 -5.868 -15.592 1.00 0.00 O ATOM 1123 CB ILE A 82 -0.124 -6.992 -16.472 1.00 0.00 C ATOM 1124 CG1 ILE A 82 -1.500 -6.694 -15.838 1.00 0.00 C ATOM 1125 CG2 ILE A 82 0.565 -8.037 -15.576 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -2.497 -6.045 -16.804 1.00 0.00 C ATOM 0 H ILE A 82 -0.433 -5.339 -18.369 1.00 0.00 H new ATOM 0 HA ILE A 82 0.526 -5.131 -15.703 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.229 -7.389 -17.482 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.926 -7.624 -15.462 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.360 -6.037 -14.979 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.061 -8.927 -15.507 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.530 -8.305 -16.006 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.714 -7.620 -14.580 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.440 -5.866 -16.288 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.093 -5.098 -17.161 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.668 -6.709 -17.651 1.00 0.00 H new ATOM 1138 N ASP A 83 2.845 -6.018 -17.833 1.00 0.00 N ATOM 1139 CA ASP A 83 4.306 -6.035 -17.989 1.00 0.00 C ATOM 1140 C ASP A 83 4.980 -4.736 -17.493 1.00 0.00 C ATOM 1141 O ASP A 83 5.955 -4.823 -16.743 1.00 0.00 O ATOM 1142 CB ASP A 83 4.665 -6.311 -19.454 1.00 0.00 C ATOM 1143 CG ASP A 83 6.178 -6.502 -19.641 1.00 0.00 C ATOM 1144 OD1 ASP A 83 6.702 -7.570 -19.243 1.00 0.00 O ATOM 1145 OD2 ASP A 83 6.833 -5.593 -20.204 1.00 0.00 O ATOM 0 H ASP A 83 2.340 -6.098 -18.715 1.00 0.00 H new ATOM 0 HA ASP A 83 4.692 -6.836 -17.359 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.140 -7.203 -19.796 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.323 -5.483 -20.075 1.00 0.00 H new ATOM 1150 N VAL A 84 4.450 -3.551 -17.840 1.00 0.00 N ATOM 1151 CA VAL A 84 4.906 -2.271 -17.238 1.00 0.00 C ATOM 1152 C VAL A 84 4.629 -2.237 -15.739 1.00 0.00 C ATOM 1153 O VAL A 84 5.466 -1.751 -14.990 1.00 0.00 O ATOM 1154 CB VAL A 84 4.279 -1.002 -17.876 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.565 0.310 -17.116 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.828 -0.828 -19.304 1.00 0.00 C ATOM 0 H VAL A 84 3.707 -3.445 -18.531 1.00 0.00 H new ATOM 0 HA VAL A 84 5.977 -2.245 -17.439 1.00 0.00 H new ATOM 0 HB VAL A 84 3.202 -1.168 -17.849 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.088 1.142 -17.634 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.168 0.238 -16.103 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.641 0.478 -17.073 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.390 0.062 -19.756 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.912 -0.720 -19.266 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.571 -1.702 -19.902 1.00 0.00 H new ATOM 1166 N ILE A 85 3.472 -2.714 -15.278 1.00 0.00 N ATOM 1167 CA ILE A 85 3.057 -2.535 -13.884 1.00 0.00 C ATOM 1168 C ILE A 85 3.940 -3.403 -12.990 1.00 0.00 C ATOM 1169 O ILE A 85 4.599 -2.870 -12.101 1.00 0.00 O ATOM 1170 CB ILE A 85 1.538 -2.791 -13.701 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.575 -1.923 -14.570 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.160 -2.621 -12.214 1.00 0.00 C ATOM 1173 CD1 ILE A 85 1.158 -0.739 -15.363 1.00 0.00 C ATOM 0 H ILE A 85 2.803 -3.229 -15.851 1.00 0.00 H new ATOM 0 HA ILE A 85 3.200 -1.497 -13.583 1.00 0.00 H new ATOM 0 HB ILE A 85 1.394 -3.812 -14.055 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.083 -2.587 -15.281 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.200 -1.530 -13.912 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.093 -2.801 -12.087 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.723 -3.334 -11.612 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.398 -1.607 -11.892 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.359 -0.241 -15.913 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.620 -0.032 -14.674 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.908 -1.105 -16.064 1.00 0.00 H new ATOM 1185 N ILE A 86 4.044 -4.703 -13.274 1.00 0.00 N ATOM 1186 CA ILE A 86 4.938 -5.612 -12.536 1.00 0.00 C ATOM 1187 C ILE A 86 6.393 -5.173 -12.703 1.00 0.00 C ATOM 1188 O ILE A 86 7.097 -5.022 -11.704 1.00 0.00 O ATOM 1189 CB ILE A 86 4.723 -7.077 -12.986 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.313 -7.548 -12.561 1.00 0.00 C ATOM 1191 CG2 ILE A 86 5.807 -8.003 -12.394 1.00 0.00 C ATOM 1192 CD1 ILE A 86 2.934 -8.913 -13.140 1.00 0.00 C ATOM 0 H ILE A 86 3.515 -5.158 -14.018 1.00 0.00 H new ATOM 0 HA ILE A 86 4.695 -5.562 -11.475 1.00 0.00 H new ATOM 0 HB ILE A 86 4.804 -7.125 -14.072 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.265 -7.596 -11.473 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.578 -6.809 -12.880 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.632 -9.026 -12.726 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.790 -7.675 -12.732 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.765 -7.963 -11.306 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.934 -9.186 -12.804 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.950 -8.864 -14.229 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.648 -9.663 -12.800 1.00 0.00 H new ATOM 1204 N GLY A 87 6.841 -4.928 -13.941 1.00 0.00 N ATOM 1205 CA GLY A 87 8.239 -4.618 -14.240 1.00 0.00 C ATOM 1206 C GLY A 87 8.694 -3.320 -13.582 1.00 0.00 C ATOM 1207 O GLY A 87 9.732 -3.304 -12.928 1.00 0.00 O ATOM 0 H GLY A 87 6.239 -4.940 -14.764 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.872 -5.437 -13.899 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.370 -4.542 -15.319 1.00 0.00 H new ATOM 1211 N ARG A 88 7.907 -2.244 -13.697 1.00 0.00 N ATOM 1212 CA ARG A 88 8.274 -0.917 -13.194 1.00 0.00 C ATOM 1213 C ARG A 88 8.009 -0.751 -11.686 1.00 0.00 C ATOM 1214 O ARG A 88 8.780 -0.039 -11.046 1.00 0.00 O ATOM 1215 CB ARG A 88 7.634 0.171 -14.078 1.00 0.00 C ATOM 1216 CG ARG A 88 8.270 1.559 -13.880 1.00 0.00 C ATOM 1217 CD ARG A 88 7.643 2.620 -14.797 1.00 0.00 C ATOM 1218 NE ARG A 88 7.945 2.367 -16.220 1.00 0.00 N ATOM 1219 CZ ARG A 88 7.389 2.969 -17.267 1.00 0.00 C ATOM 1220 NH1 ARG A 88 6.473 3.906 -17.132 1.00 0.00 N ATOM 1221 NH2 ARG A 88 7.756 2.632 -18.484 1.00 0.00 N ATOM 0 H ARG A 88 6.991 -2.271 -14.145 1.00 0.00 H new ATOM 0 HA ARG A 88 9.355 -0.799 -13.274 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.726 -0.119 -15.125 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.568 0.231 -13.856 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.154 1.865 -12.840 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.340 1.498 -14.077 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.563 2.632 -14.652 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.013 3.606 -14.517 1.00 0.00 H new ATOM 0 HE ARG A 88 8.651 1.659 -16.420 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.169 4.191 -16.201 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.068 4.346 -17.958 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.465 1.911 -18.622 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.332 3.091 -19.290 1.00 0.00 H new ATOM 1235 N LEU A 89 7.038 -1.451 -11.073 1.00 0.00 N ATOM 1236 CA LEU A 89 6.978 -1.604 -9.610 1.00 0.00 C ATOM 1237 C LEU A 89 8.237 -2.331 -9.124 1.00 0.00 C ATOM 1238 O LEU A 89 8.950 -1.771 -8.294 1.00 0.00 O ATOM 1239 CB LEU A 89 5.669 -2.324 -9.216 1.00 0.00 C ATOM 1240 CG LEU A 89 5.209 -2.077 -7.765 1.00 0.00 C ATOM 1241 CD1 LEU A 89 3.727 -2.457 -7.631 1.00 0.00 C ATOM 1242 CD2 LEU A 89 6.012 -2.886 -6.735 1.00 0.00 C ATOM 0 H LEU A 89 6.282 -1.921 -11.571 1.00 0.00 H new ATOM 0 HA LEU A 89 6.961 -0.631 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.877 -2.005 -9.893 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.801 -3.396 -9.363 1.00 0.00 H new ATOM 0 HG LEU A 89 5.372 -1.019 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.398 -2.284 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.132 -1.847 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.597 -3.510 -7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.641 -2.669 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.900 -3.950 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.065 -2.613 -6.799 1.00 0.00 H new ATOM 1254 N ARG A 90 8.565 -3.505 -9.691 1.00 0.00 N ATOM 1255 CA ARG A 90 9.788 -4.257 -9.350 1.00 0.00 C ATOM 1256 C ARG A 90 11.036 -3.376 -9.460 1.00 0.00 C ATOM 1257 O ARG A 90 11.824 -3.298 -8.522 1.00 0.00 O ATOM 1258 CB ARG A 90 9.940 -5.510 -10.231 1.00 0.00 C ATOM 1259 CG ARG A 90 10.961 -6.475 -9.608 1.00 0.00 C ATOM 1260 CD ARG A 90 11.317 -7.648 -10.533 1.00 0.00 C ATOM 1261 NE ARG A 90 12.345 -8.510 -9.915 1.00 0.00 N ATOM 1262 CZ ARG A 90 13.629 -8.211 -9.727 1.00 0.00 C ATOM 1263 NH1 ARG A 90 14.177 -7.115 -10.202 1.00 0.00 N ATOM 1264 NH2 ARG A 90 14.399 -9.019 -9.034 1.00 0.00 N ATOM 0 H ARG A 90 7.990 -3.961 -10.399 1.00 0.00 H new ATOM 0 HA ARG A 90 9.688 -4.578 -8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.976 -6.008 -10.338 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.263 -5.223 -11.232 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.869 -5.925 -9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.560 -6.865 -8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.423 -8.235 -10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.681 -7.267 -11.487 1.00 0.00 H new ATOM 0 HE ARG A 90 12.039 -9.431 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.614 -6.455 -10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.165 -6.925 -10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.014 -9.877 -8.639 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.382 -8.789 -8.891 1.00 0.00 H new ATOM 1278 N SER A 91 11.183 -2.663 -10.572 1.00 0.00 N ATOM 1279 CA SER A 91 12.271 -1.693 -10.770 1.00 0.00 C ATOM 1280 C SER A 91 12.307 -0.640 -9.666 1.00 0.00 C ATOM 1281 O SER A 91 13.330 -0.503 -9.000 1.00 0.00 O ATOM 1282 CB SER A 91 12.206 -1.020 -12.147 1.00 0.00 C ATOM 1283 OG SER A 91 12.465 -1.962 -13.180 1.00 0.00 O ATOM 0 H SER A 91 10.551 -2.737 -11.369 1.00 0.00 H new ATOM 0 HA SER A 91 13.197 -2.266 -10.722 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.222 -0.574 -12.293 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.934 -0.210 -12.196 1.00 0.00 H new ATOM 0 HG SER A 91 11.692 -2.555 -13.283 1.00 0.00 H new ATOM 1289 N LYS A 92 11.201 0.058 -9.385 1.00 0.00 N ATOM 1290 CA LYS A 92 11.214 1.084 -8.333 1.00 0.00 C ATOM 1291 C LYS A 92 11.493 0.521 -6.923 1.00 0.00 C ATOM 1292 O LYS A 92 12.166 1.188 -6.136 1.00 0.00 O ATOM 1293 CB LYS A 92 9.934 1.932 -8.447 1.00 0.00 C ATOM 1294 CG LYS A 92 10.102 2.913 -9.624 1.00 0.00 C ATOM 1295 CD LYS A 92 8.885 3.816 -9.854 1.00 0.00 C ATOM 1296 CE LYS A 92 9.326 5.009 -10.720 1.00 0.00 C ATOM 1297 NZ LYS A 92 8.233 5.995 -10.937 1.00 0.00 N ATOM 0 H LYS A 92 10.305 -0.063 -9.858 1.00 0.00 H new ATOM 0 HA LYS A 92 12.066 1.745 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.068 1.291 -8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.758 2.478 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.977 3.537 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.299 2.345 -10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.088 3.261 -10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.486 4.165 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.170 5.507 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.676 4.643 -11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.632 6.955 -10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.756 5.791 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.546 5.929 -10.159 1.00 0.00 H new ATOM 1311 N ILE A 93 11.091 -0.717 -6.609 1.00 0.00 N ATOM 1312 CA ILE A 93 11.382 -1.360 -5.300 1.00 0.00 C ATOM 1313 C ILE A 93 12.747 -2.073 -5.239 1.00 0.00 C ATOM 1314 O ILE A 93 13.218 -2.389 -4.148 1.00 0.00 O ATOM 1315 CB ILE A 93 10.194 -2.226 -4.804 1.00 0.00 C ATOM 1316 CG1 ILE A 93 9.906 -3.543 -5.559 1.00 0.00 C ATOM 1317 CG2 ILE A 93 8.925 -1.351 -4.818 1.00 0.00 C ATOM 1318 CD1 ILE A 93 10.932 -4.670 -5.382 1.00 0.00 C ATOM 0 H ILE A 93 10.556 -1.308 -7.246 1.00 0.00 H new ATOM 0 HA ILE A 93 11.486 -0.548 -4.581 1.00 0.00 H new ATOM 0 HB ILE A 93 10.491 -2.559 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.932 -3.914 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.827 -3.317 -6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.074 -1.938 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.066 -0.495 -4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.736 -1.000 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.620 -5.540 -5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.907 -4.332 -5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.999 -4.939 -4.328 1.00 0.00 H new ATOM 1330 N GLU A 94 13.409 -2.286 -6.381 1.00 0.00 N ATOM 1331 CA GLU A 94 14.822 -2.682 -6.458 1.00 0.00 C ATOM 1332 C GLU A 94 15.745 -1.451 -6.329 1.00 0.00 C ATOM 1333 O GLU A 94 16.792 -1.514 -5.680 1.00 0.00 O ATOM 1334 CB GLU A 94 15.059 -3.433 -7.781 1.00 0.00 C ATOM 1335 CG GLU A 94 16.472 -4.019 -7.894 1.00 0.00 C ATOM 1336 CD GLU A 94 16.616 -4.861 -9.170 1.00 0.00 C ATOM 1337 OE1 GLU A 94 16.804 -4.284 -10.266 1.00 0.00 O ATOM 1338 OE2 GLU A 94 16.535 -6.112 -9.092 1.00 0.00 O ATOM 0 H GLU A 94 12.970 -2.186 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 94 15.063 -3.346 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.330 -4.238 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.886 -2.752 -8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.205 -3.212 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.685 -4.636 -7.021 1.00 0.00 H new ATOM 1345 N LYS A 95 15.344 -0.313 -6.914 1.00 0.00 N ATOM 1346 CA LYS A 95 16.054 0.972 -6.839 1.00 0.00 C ATOM 1347 C LYS A 95 16.005 1.587 -5.425 1.00 0.00 C ATOM 1348 O LYS A 95 17.033 2.025 -4.903 1.00 0.00 O ATOM 1349 CB LYS A 95 15.434 1.924 -7.883 1.00 0.00 C ATOM 1350 CG LYS A 95 15.723 1.508 -9.341 1.00 0.00 C ATOM 1351 CD LYS A 95 17.051 2.048 -9.890 1.00 0.00 C ATOM 1352 CE LYS A 95 16.936 3.549 -10.191 1.00 0.00 C ATOM 1353 NZ LYS A 95 18.189 4.093 -10.782 1.00 0.00 N ATOM 0 H LYS A 95 14.490 -0.260 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 95 17.110 0.809 -7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.355 1.964 -7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.817 2.931 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.731 0.420 -9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.909 1.858 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 95 17.848 1.876 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.323 1.509 -10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.107 3.719 -10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.704 4.087 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.071 5.109 -10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.976 3.954 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.397 3.597 -11.672 1.00 0.00 H new ATOM 1367 N ASN A 96 14.825 1.609 -4.792 1.00 0.00 N ATOM 1368 CA ASN A 96 14.652 2.024 -3.390 1.00 0.00 C ATOM 1369 C ASN A 96 15.069 0.905 -2.396 1.00 0.00 C ATOM 1370 O ASN A 96 15.080 -0.270 -2.777 1.00 0.00 O ATOM 1371 CB ASN A 96 13.189 2.457 -3.167 1.00 0.00 C ATOM 1372 CG ASN A 96 12.890 3.813 -3.801 1.00 0.00 C ATOM 1373 OD1 ASN A 96 13.139 4.858 -3.211 1.00 0.00 O ATOM 1374 ND2 ASN A 96 12.367 3.840 -5.014 1.00 0.00 N ATOM 0 H ASN A 96 13.952 1.336 -5.243 1.00 0.00 H new ATOM 0 HA ASN A 96 15.312 2.869 -3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.521 1.705 -3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 96 12.984 2.504 -2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 96 12.168 4.734 -5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 96 12.162 2.967 -5.500 1.00 0.00 H new ATOM 1381 N PRO A 97 15.367 1.234 -1.118 1.00 0.00 N ATOM 1382 CA PRO A 97 15.628 0.239 -0.072 1.00 0.00 C ATOM 1383 C PRO A 97 14.358 -0.500 0.393 1.00 0.00 C ATOM 1384 O PRO A 97 14.460 -1.579 0.975 1.00 0.00 O ATOM 1385 CB PRO A 97 16.270 1.028 1.075 1.00 0.00 C ATOM 1386 CG PRO A 97 15.662 2.422 0.932 1.00 0.00 C ATOM 1387 CD PRO A 97 15.541 2.582 -0.583 1.00 0.00 C ATOM 0 HA PRO A 97 16.276 -0.554 -0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.039 0.587 2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.356 1.053 0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.693 2.494 1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.300 3.189 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.694 3.217 -0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.431 3.054 -0.998 1.00 0.00 H new ATOM 1395 N LYS A 98 13.162 0.051 0.134 1.00 0.00 N ATOM 1396 CA LYS A 98 11.865 -0.556 0.469 1.00 0.00 C ATOM 1397 C LYS A 98 11.650 -1.911 -0.237 1.00 0.00 C ATOM 1398 O LYS A 98 11.489 -1.955 -1.456 1.00 0.00 O ATOM 1399 CB LYS A 98 10.771 0.470 0.106 1.00 0.00 C ATOM 1400 CG LYS A 98 9.337 0.051 0.489 1.00 0.00 C ATOM 1401 CD LYS A 98 8.400 -0.292 -0.691 1.00 0.00 C ATOM 1402 CE LYS A 98 8.172 -1.800 -0.912 1.00 0.00 C ATOM 1403 NZ LYS A 98 7.113 -2.064 -1.943 1.00 0.00 N ATOM 0 H LYS A 98 13.068 0.956 -0.327 1.00 0.00 H new ATOM 0 HA LYS A 98 11.826 -0.787 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.002 1.415 0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.806 0.653 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.395 -0.817 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.884 0.858 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.435 0.187 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.814 0.137 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.106 -2.266 -1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.884 -2.265 0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.317 -2.961 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.184 -2.124 -1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.103 -1.290 -2.637 1.00 0.00 H new ATOM 1417 N GLN A 99 11.555 -3.007 0.523 1.00 0.00 N ATOM 1418 CA GLN A 99 11.267 -4.356 0.005 1.00 0.00 C ATOM 1419 C GLN A 99 9.780 -4.725 0.198 1.00 0.00 C ATOM 1420 O GLN A 99 9.125 -4.145 1.070 1.00 0.00 O ATOM 1421 CB GLN A 99 12.192 -5.394 0.682 1.00 0.00 C ATOM 1422 CG GLN A 99 11.990 -5.575 2.201 1.00 0.00 C ATOM 1423 CD GLN A 99 12.631 -6.871 2.704 1.00 0.00 C ATOM 1424 OE1 GLN A 99 13.734 -6.891 3.238 1.00 0.00 O ATOM 1425 NE2 GLN A 99 11.974 -8.004 2.539 1.00 0.00 N ATOM 0 H GLN A 99 11.678 -2.985 1.535 1.00 0.00 H new ATOM 0 HA GLN A 99 11.465 -4.362 -1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.043 -6.358 0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.227 -5.103 0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.422 -4.726 2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.924 -5.583 2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.055 -8.001 2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.385 -8.883 2.855 1.00 0.00 H new ATOM 1434 N PRO A 100 9.234 -5.700 -0.558 1.00 0.00 N ATOM 1435 CA PRO A 100 7.976 -6.356 -0.214 1.00 0.00 C ATOM 1436 C PRO A 100 8.167 -7.328 0.960 1.00 0.00 C ATOM 1437 O PRO A 100 9.276 -7.775 1.258 1.00 0.00 O ATOM 1438 CB PRO A 100 7.542 -7.082 -1.495 1.00 0.00 C ATOM 1439 CG PRO A 100 8.874 -7.456 -2.143 1.00 0.00 C ATOM 1440 CD PRO A 100 9.779 -6.276 -1.786 1.00 0.00 C ATOM 0 HA PRO A 100 7.217 -5.647 0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.938 -7.963 -1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.945 -6.439 -2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.263 -8.395 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.777 -7.577 -3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 100 10.808 -6.605 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 100 9.792 -5.539 -2.589 1.00 0.00 H new ATOM 1448 N GLN A 101 7.044 -7.676 1.593 1.00 0.00 N ATOM 1449 CA GLN A 101 6.937 -8.726 2.615 1.00 0.00 C ATOM 1450 C GLN A 101 5.481 -9.201 2.763 1.00 0.00 C ATOM 1451 O GLN A 101 5.250 -10.402 2.895 1.00 0.00 O ATOM 1452 CB GLN A 101 7.568 -8.280 3.951 1.00 0.00 C ATOM 1453 CG GLN A 101 6.915 -7.058 4.616 1.00 0.00 C ATOM 1454 CD GLN A 101 7.685 -6.626 5.867 1.00 0.00 C ATOM 1455 OE1 GLN A 101 7.437 -7.081 6.978 1.00 0.00 O ATOM 1456 NE2 GLN A 101 8.665 -5.751 5.739 1.00 0.00 N ATOM 0 H GLN A 101 6.152 -7.220 1.403 1.00 0.00 H new ATOM 0 HA GLN A 101 7.514 -9.589 2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.528 -9.116 4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.621 -8.059 3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.878 -6.232 3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 101 5.885 -7.294 4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 101 8.885 -5.362 4.822 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.202 -5.464 6.557 1.00 0.00 H new ATOM 1465 N TYR A 102 4.493 -8.295 2.627 1.00 0.00 N ATOM 1466 CA TYR A 102 3.067 -8.668 2.485 1.00 0.00 C ATOM 1467 C TYR A 102 2.574 -8.679 1.023 1.00 0.00 C ATOM 1468 O TYR A 102 1.377 -8.564 0.758 1.00 0.00 O ATOM 1469 CB TYR A 102 2.214 -7.784 3.412 1.00 0.00 C ATOM 1470 CG TYR A 102 2.559 -7.924 4.885 1.00 0.00 C ATOM 1471 CD1 TYR A 102 2.215 -9.104 5.575 1.00 0.00 C ATOM 1472 CD2 TYR A 102 3.228 -6.887 5.566 1.00 0.00 C ATOM 1473 CE1 TYR A 102 2.543 -9.254 6.936 1.00 0.00 C ATOM 1474 CE2 TYR A 102 3.562 -7.032 6.926 1.00 0.00 C ATOM 1475 CZ TYR A 102 3.220 -8.216 7.617 1.00 0.00 C ATOM 1476 OH TYR A 102 3.544 -8.351 8.935 1.00 0.00 O ATOM 0 H TYR A 102 4.657 -7.288 2.612 1.00 0.00 H new ATOM 0 HA TYR A 102 2.954 -9.705 2.801 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.337 -6.742 3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.163 -8.034 3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.697 -9.897 5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.485 -5.978 5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.278 -10.161 7.459 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.080 -6.237 7.442 1.00 0.00 H new ATOM 0 HH TYR A 102 4.007 -7.544 9.242 1.00 0.00 H new ATOM 1486 N ILE A 103 3.496 -8.821 0.060 1.00 0.00 N ATOM 1487 CA ILE A 103 3.188 -9.056 -1.363 1.00 0.00 C ATOM 1488 C ILE A 103 3.986 -10.279 -1.855 1.00 0.00 C ATOM 1489 O ILE A 103 5.197 -10.352 -1.644 1.00 0.00 O ATOM 1490 CB ILE A 103 3.491 -7.825 -2.261 1.00 0.00 C ATOM 1491 CG1 ILE A 103 3.314 -6.461 -1.550 1.00 0.00 C ATOM 1492 CG2 ILE A 103 2.597 -7.929 -3.515 1.00 0.00 C ATOM 1493 CD1 ILE A 103 3.485 -5.239 -2.463 1.00 0.00 C ATOM 0 H ILE A 103 4.497 -8.775 0.250 1.00 0.00 H new ATOM 0 HA ILE A 103 2.116 -9.240 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 103 4.547 -7.850 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.322 -6.426 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.036 -6.394 -0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.786 -7.077 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.824 -8.852 -4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.549 -7.931 -3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.344 -4.328 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.486 -5.244 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.746 -5.277 -3.263 1.00 0.00 H new ATOM 1505 N ILE A 104 3.314 -11.231 -2.506 1.00 0.00 N ATOM 1506 CA ILE A 104 3.899 -12.471 -3.066 1.00 0.00 C ATOM 1507 C ILE A 104 3.579 -12.574 -4.570 1.00 0.00 C ATOM 1508 O ILE A 104 2.470 -12.264 -4.994 1.00 0.00 O ATOM 1509 CB ILE A 104 3.373 -13.698 -2.268 1.00 0.00 C ATOM 1510 CG1 ILE A 104 3.781 -13.600 -0.775 1.00 0.00 C ATOM 1511 CG2 ILE A 104 3.871 -15.024 -2.878 1.00 0.00 C ATOM 1512 CD1 ILE A 104 3.197 -14.699 0.124 1.00 0.00 C ATOM 0 H ILE A 104 2.309 -11.166 -2.669 1.00 0.00 H new ATOM 0 HA ILE A 104 4.984 -12.450 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 104 2.285 -13.689 -2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.868 -13.634 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.467 -12.630 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.485 -15.860 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.520 -15.106 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.961 -15.045 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.536 -14.549 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.108 -14.655 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.531 -15.674 -0.230 1.00 0.00 H new ATOM 1524 N SER A 105 4.522 -13.024 -5.396 1.00 0.00 N ATOM 1525 CA SER A 105 4.337 -13.249 -6.833 1.00 0.00 C ATOM 1526 C SER A 105 3.698 -14.626 -7.118 1.00 0.00 C ATOM 1527 O SER A 105 4.099 -15.649 -6.552 1.00 0.00 O ATOM 1528 CB SER A 105 5.690 -13.113 -7.558 1.00 0.00 C ATOM 1529 OG SER A 105 6.707 -13.929 -6.979 1.00 0.00 O ATOM 0 H SER A 105 5.464 -13.249 -5.077 1.00 0.00 H new ATOM 0 HA SER A 105 3.650 -12.492 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.565 -13.384 -8.606 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.008 -12.071 -7.534 1.00 0.00 H new ATOM 0 HG SER A 105 7.544 -13.809 -7.474 1.00 0.00 H new ATOM 1535 N VAL A 106 2.704 -14.664 -8.014 1.00 0.00 N ATOM 1536 CA VAL A 106 1.962 -15.878 -8.419 1.00 0.00 C ATOM 1537 C VAL A 106 1.824 -15.893 -9.951 1.00 0.00 C ATOM 1538 O VAL A 106 0.765 -15.593 -10.504 1.00 0.00 O ATOM 1539 CB VAL A 106 0.583 -15.983 -7.707 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -0.041 -17.370 -7.939 1.00 0.00 C ATOM 1541 CG2 VAL A 106 0.659 -15.744 -6.188 1.00 0.00 C ATOM 0 H VAL A 106 2.379 -13.826 -8.496 1.00 0.00 H new ATOM 0 HA VAL A 106 2.524 -16.758 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.031 -15.196 -8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.005 -17.424 -7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.182 -17.531 -9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.622 -18.138 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.338 -15.832 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.318 -16.485 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.051 -14.745 -5.996 1.00 0.00 H new ATOM 1601 N GLY A 110 -1.228 -13.481 -11.034 1.00 0.00 N ATOM 1602 CA GLY A 110 -0.956 -12.107 -10.594 1.00 0.00 C ATOM 1603 C GLY A 110 -0.006 -12.027 -9.401 1.00 0.00 C ATOM 1604 O GLY A 110 0.892 -12.856 -9.249 1.00 0.00 O ATOM 0 HA2 GLY A 110 -0.531 -11.545 -11.425 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.898 -11.625 -10.332 1.00 0.00 H new ATOM 1608 N TYR A 111 -0.195 -11.025 -8.544 1.00 0.00 N ATOM 1609 CA TYR A 111 0.460 -10.949 -7.226 1.00 0.00 C ATOM 1610 C TYR A 111 -0.570 -11.011 -6.095 1.00 0.00 C ATOM 1611 O TYR A 111 -1.576 -10.311 -6.106 1.00 0.00 O ATOM 1612 CB TYR A 111 1.299 -9.672 -7.086 1.00 0.00 C ATOM 1613 CG TYR A 111 2.689 -9.709 -7.707 1.00 0.00 C ATOM 1614 CD1 TYR A 111 2.868 -9.935 -9.087 1.00 0.00 C ATOM 1615 CD2 TYR A 111 3.822 -9.517 -6.889 1.00 0.00 C ATOM 1616 CE1 TYR A 111 4.164 -9.989 -9.636 1.00 0.00 C ATOM 1617 CE2 TYR A 111 5.118 -9.537 -7.436 1.00 0.00 C ATOM 1618 CZ TYR A 111 5.294 -9.780 -8.816 1.00 0.00 C ATOM 1619 OH TYR A 111 6.546 -9.832 -9.354 1.00 0.00 O ATOM 0 H TYR A 111 -0.810 -10.235 -8.740 1.00 0.00 H new ATOM 0 HA TYR A 111 1.124 -11.810 -7.151 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.745 -8.847 -7.535 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.404 -9.446 -6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 111 2.008 -10.067 -9.726 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.693 -9.353 -5.829 1.00 0.00 H new ATOM 0 HE1 TYR A 111 4.294 -10.191 -10.689 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.976 -9.367 -6.802 1.00 0.00 H new ATOM 0 HH TYR A 111 7.210 -9.665 -8.653 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.293 -11.821 -5.083 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.095 -11.925 -3.860 1.00 0.00 C ATOM 1631 C LYS A 112 -0.681 -10.831 -2.863 1.00 0.00 C ATOM 1632 O LYS A 112 0.507 -10.645 -2.596 1.00 0.00 O ATOM 1633 CB LYS A 112 -0.936 -13.343 -3.282 1.00 0.00 C ATOM 1634 CG LYS A 112 -1.803 -13.583 -2.032 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.565 -14.959 -1.392 1.00 0.00 C ATOM 1636 CE LYS A 112 -2.002 -16.118 -2.302 1.00 0.00 C ATOM 1637 NZ LYS A 112 -1.835 -17.438 -1.632 1.00 0.00 N ATOM 0 H LYS A 112 0.516 -12.443 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.151 -11.766 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.201 -14.073 -4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.111 -13.511 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.594 -12.806 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.855 -13.491 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.507 -15.067 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.110 -15.016 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.046 -15.984 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.416 -16.100 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.140 -18.195 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.835 -17.577 -1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.414 -17.465 -0.768 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.661 -10.140 -2.287 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.500 -9.121 -1.239 1.00 0.00 C ATOM 1653 C LEU A 113 -2.484 -9.439 -0.093 1.00 0.00 C ATOM 1654 O LEU A 113 -3.443 -10.183 -0.292 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.725 -7.734 -1.900 1.00 0.00 C ATOM 1656 CG LEU A 113 -0.822 -6.575 -1.426 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -1.031 -5.360 -2.340 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -1.065 -6.128 0.020 1.00 0.00 C ATOM 0 H LEU A 113 -2.638 -10.278 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.504 -9.115 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.594 -7.847 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.763 -7.444 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 113 0.197 -6.960 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.394 -4.540 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.773 -5.627 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.075 -5.049 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.387 -5.311 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.096 -5.790 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.885 -6.965 0.695 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.286 -8.874 1.099 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.216 -9.021 2.229 1.00 0.00 C ATOM 1672 C GLU A 114 -3.330 -7.728 3.059 1.00 0.00 C ATOM 1673 O GLU A 114 -2.388 -6.934 3.142 1.00 0.00 O ATOM 1674 CB GLU A 114 -2.802 -10.238 3.075 1.00 0.00 C ATOM 1675 CG GLU A 114 -3.768 -10.616 4.206 1.00 0.00 C ATOM 1676 CD GLU A 114 -5.172 -10.962 3.683 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -6.002 -10.038 3.509 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -5.454 -12.163 3.452 1.00 0.00 O ATOM 0 H GLU A 114 -1.472 -8.297 1.313 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.219 -9.201 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.691 -11.097 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -1.822 -10.040 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -3.367 -11.468 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.839 -9.788 4.912 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.518 -7.524 3.636 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.944 -6.340 4.397 1.00 0.00 C ATOM 1687 C TYR A 115 -4.448 -6.361 5.860 1.00 0.00 C ATOM 1688 O TYR A 115 -3.790 -5.383 6.286 1.00 0.00 O ATOM 1689 CB TYR A 115 -6.477 -6.258 4.312 1.00 0.00 C ATOM 1690 CG TYR A 115 -7.104 -5.014 4.914 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -7.171 -3.825 4.160 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -7.675 -5.059 6.202 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -7.825 -2.692 4.682 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -8.321 -3.924 6.732 1.00 0.00 C ATOM 1695 CZ TYR A 115 -8.403 -2.738 5.969 1.00 0.00 C ATOM 1696 OH TYR A 115 -9.037 -1.638 6.464 1.00 0.00 O ATOM 1697 OXT TYR A 115 -4.708 -7.352 6.587 1.00 0.00 O ATOM 0 H TYR A 115 -5.257 -8.225 3.582 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.494 -5.448 3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.768 -6.318 3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.897 -7.132 4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.720 -3.783 3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.617 -5.966 6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -7.884 -1.786 4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.753 -3.961 7.721 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.381 -1.834 7.361 1.00 0.00 H new