USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 755 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 44 LYS NZ :NH3+ -148:sc= 0.99 (180deg=-0.0283) USER MOD Set 1.2: A 49 SER OG : rot -89:sc= -0.516! USER MOD Set 2.1: A 47 TYR OH : rot -40:sc= 1.27 USER MOD Set 2.2: A 101 TYR OH : rot 180:sc= -0.362 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 16 GLN : amide:sc= -2.62! K(o=-3.1!,f=-2.5) USER MOD Set 3.3: A 19 GLN : amide:sc= -0.489 K(o=-3.1,f=-2.5) USER MOD Set 4.1: A 18 SER OG : rot 79:sc= 1.95 USER MOD Set 4.2: A 59 LYS NZ :NH3+ 179:sc= 2.16 (180deg=1.13) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.628 K(o=-0.63,f=-8.1!) USER MOD Single : A 23 THR OG1 : rot -44:sc= 0.207 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 2.34 (180deg=1.47) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 0.38 (180deg=0.341) USER MOD Single : A 41 THR OG1 : rot 86:sc= 1.37 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 45 SER OG : rot 180:sc= 0.00129 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 99:sc= 2.2 USER MOD Single : A 67 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.1) USER MOD Single : A 68 MET CE :methyl 161:sc= -0.128 (180deg=-0.524) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= 1.06 (180deg=0.221!) USER MOD Single : A 71 ASN : amide:sc= -4.59! C(o=-4.6!,f=-6.3!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.401 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0889 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.286 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.455 K(o=0.46,f=-0.25) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.621 K(o=-0.62,f=-2.3) USER MOD Single : A 95 THR OG1 : rot 84:sc= 1.11 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N LEU A 9 -13.159 2.790 7.510 1.00 0.00 N ATOM 136 CA LEU A 9 -12.233 1.685 7.704 1.00 0.00 C ATOM 137 C LEU A 9 -12.664 0.645 6.716 1.00 0.00 C ATOM 138 O LEU A 9 -13.557 -0.165 6.977 1.00 0.00 O ATOM 139 CB LEU A 9 -12.283 1.143 9.156 1.00 0.00 C ATOM 140 CG LEU A 9 -11.144 0.186 9.651 1.00 0.00 C ATOM 141 CD1 LEU A 9 -11.014 -1.093 8.831 1.00 0.00 C ATOM 142 CD2 LEU A 9 -9.813 0.922 9.749 1.00 0.00 C ATOM 0 HA LEU A 9 -11.199 1.992 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.306 2.002 9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.230 0.618 9.278 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.438 -0.136 10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.206 -1.703 9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.949 -1.652 8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.795 -0.840 7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.041 0.234 10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.539 1.311 8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.905 1.748 10.454 1.00 0.00 H new ATOM 154 N GLU A 10 -12.103 0.732 5.575 1.00 0.00 N ATOM 155 CA GLU A 10 -12.494 -0.064 4.472 1.00 0.00 C ATOM 156 C GLU A 10 -11.673 -1.328 4.412 1.00 0.00 C ATOM 157 O GLU A 10 -10.439 -1.282 4.414 1.00 0.00 O ATOM 158 CB GLU A 10 -12.271 0.731 3.201 1.00 0.00 C ATOM 159 CG GLU A 10 -12.849 2.141 3.227 1.00 0.00 C ATOM 160 CD GLU A 10 -14.326 2.180 3.478 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.091 1.901 2.533 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.739 2.527 4.610 1.00 0.00 O ATOM 0 H GLU A 10 -11.338 1.375 5.372 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.544 -0.334 4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.200 0.795 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.711 0.187 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.342 2.718 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.638 2.629 2.275 1.00 0.00 H new ATOM 169 N GLU A 11 -12.333 -2.442 4.396 1.00 0.00 N ATOM 170 CA GLU A 11 -11.679 -3.671 4.205 1.00 0.00 C ATOM 171 C GLU A 11 -11.491 -3.941 2.743 1.00 0.00 C ATOM 172 O GLU A 11 -12.454 -3.997 1.959 1.00 0.00 O ATOM 173 CB GLU A 11 -12.412 -4.818 4.851 1.00 0.00 C ATOM 174 CG GLU A 11 -11.829 -6.153 4.454 1.00 0.00 C ATOM 175 CD GLU A 11 -12.431 -7.306 5.196 1.00 0.00 C ATOM 176 OE1 GLU A 11 -12.030 -7.567 6.330 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.331 -7.971 4.649 1.00 0.00 O ATOM 0 H GLU A 11 -13.343 -2.512 4.517 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.706 -3.592 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.370 -4.711 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.464 -4.782 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.975 -6.302 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.753 -6.139 4.630 1.00 0.00 H new ATOM 184 N PHE A 12 -10.286 -4.088 2.381 1.00 0.00 N ATOM 185 CA PHE A 12 -9.941 -4.400 1.066 1.00 0.00 C ATOM 186 C PHE A 12 -9.227 -5.687 0.991 1.00 0.00 C ATOM 187 O PHE A 12 -8.276 -5.880 1.687 1.00 0.00 O ATOM 188 CB PHE A 12 -9.030 -3.383 0.528 1.00 0.00 C ATOM 189 CG PHE A 12 -9.635 -2.073 0.171 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.380 -1.935 -0.982 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.451 -0.968 0.983 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.934 -0.722 -1.318 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.001 0.247 0.648 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.742 0.369 -0.503 1.00 0.00 C ATOM 0 H PHE A 12 -9.490 -3.992 3.011 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.870 -4.447 0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.244 -3.207 1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.550 -3.791 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.530 -2.788 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.870 -1.061 1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.519 -0.626 -2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.851 1.104 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.174 1.323 -0.768 1.00 0.00 H new ATOM 204 N THR A 13 -9.653 -6.565 0.157 1.00 0.00 N ATOM 205 CA THR A 13 -8.914 -7.773 -0.022 1.00 0.00 C ATOM 206 C THR A 13 -7.827 -7.497 -1.069 1.00 0.00 C ATOM 207 O THR A 13 -8.017 -6.638 -1.899 1.00 0.00 O ATOM 208 CB THR A 13 -9.814 -8.888 -0.497 1.00 0.00 C ATOM 209 OG1 THR A 13 -11.051 -8.838 0.228 1.00 0.00 O ATOM 210 CG2 THR A 13 -9.155 -10.199 -0.209 1.00 0.00 C ATOM 0 H THR A 13 -10.498 -6.478 -0.408 1.00 0.00 H new ATOM 0 HA THR A 13 -8.474 -8.085 0.925 1.00 0.00 H new ATOM 0 HB THR A 13 -9.998 -8.779 -1.566 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.639 -9.559 -0.079 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.797 -11.011 -0.548 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.200 -10.249 -0.732 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.987 -10.294 0.864 1.00 0.00 H new ATOM 218 N ALA A 14 -6.714 -8.218 -1.023 1.00 0.00 N ATOM 219 CA ALA A 14 -5.570 -7.963 -1.924 1.00 0.00 C ATOM 220 C ALA A 14 -5.962 -7.920 -3.414 1.00 0.00 C ATOM 221 O ALA A 14 -5.563 -7.002 -4.141 1.00 0.00 O ATOM 222 CB ALA A 14 -4.462 -8.974 -1.686 1.00 0.00 C ATOM 0 H ALA A 14 -6.568 -8.990 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.203 -6.967 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.630 -8.768 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.119 -8.902 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.840 -9.979 -1.874 1.00 0.00 H new ATOM 228 N GLU A 15 -6.760 -8.878 -3.854 1.00 0.00 N ATOM 229 CA GLU A 15 -7.205 -8.934 -5.256 1.00 0.00 C ATOM 230 C GLU A 15 -8.091 -7.729 -5.581 1.00 0.00 C ATOM 231 O GLU A 15 -8.041 -7.171 -6.673 1.00 0.00 O ATOM 232 CB GLU A 15 -7.986 -10.234 -5.557 1.00 0.00 C ATOM 233 CG GLU A 15 -7.225 -11.553 -5.368 1.00 0.00 C ATOM 234 CD GLU A 15 -6.792 -11.800 -3.945 1.00 0.00 C ATOM 235 OE1 GLU A 15 -7.647 -12.122 -3.104 1.00 0.00 O ATOM 236 OE2 GLU A 15 -5.589 -11.667 -3.654 1.00 0.00 O ATOM 0 H GLU A 15 -7.119 -9.632 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.311 -8.916 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.869 -10.256 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.338 -10.189 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.858 -12.378 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.345 -11.551 -6.012 1.00 0.00 H new ATOM 243 N GLN A 16 -8.879 -7.341 -4.605 1.00 0.00 N ATOM 244 CA GLN A 16 -9.816 -6.234 -4.716 1.00 0.00 C ATOM 245 C GLN A 16 -9.106 -4.878 -4.628 1.00 0.00 C ATOM 246 O GLN A 16 -9.482 -3.924 -5.305 1.00 0.00 O ATOM 247 CB GLN A 16 -10.938 -6.371 -3.660 1.00 0.00 C ATOM 248 CG GLN A 16 -11.995 -7.462 -3.961 1.00 0.00 C ATOM 249 CD GLN A 16 -11.438 -8.863 -4.174 1.00 0.00 C ATOM 250 OE1 GLN A 16 -11.101 -9.240 -5.290 1.00 0.00 O ATOM 251 NE2 GLN A 16 -11.370 -9.645 -3.132 1.00 0.00 N ATOM 0 H GLN A 16 -8.891 -7.792 -3.690 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.278 -6.276 -5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.482 -6.586 -2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.446 -5.411 -3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.707 -7.493 -3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.551 -7.170 -4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.658 -9.301 -2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.028 -10.601 -3.233 1.00 0.00 H new ATOM 260 N LEU A 17 -8.065 -4.821 -3.806 1.00 0.00 N ATOM 261 CA LEU A 17 -7.241 -3.622 -3.617 1.00 0.00 C ATOM 262 C LEU A 17 -6.625 -3.282 -4.974 1.00 0.00 C ATOM 263 O LEU A 17 -6.575 -2.126 -5.389 1.00 0.00 O ATOM 264 CB LEU A 17 -6.102 -3.956 -2.605 1.00 0.00 C ATOM 265 CG LEU A 17 -5.357 -2.789 -1.874 1.00 0.00 C ATOM 266 CD1 LEU A 17 -4.828 -1.739 -2.780 1.00 0.00 C ATOM 267 CD2 LEU A 17 -6.187 -2.186 -0.796 1.00 0.00 C ATOM 0 H LEU A 17 -7.761 -5.615 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.831 -2.787 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.525 -4.605 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.352 -4.540 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.486 -3.261 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.327 -0.970 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.117 -2.184 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.651 -1.291 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.631 -1.381 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.106 -1.787 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.433 -2.948 -0.057 1.00 0.00 H new ATOM 279 N SER A 18 -6.222 -4.333 -5.673 1.00 0.00 N ATOM 280 CA SER A 18 -5.568 -4.250 -6.970 1.00 0.00 C ATOM 281 C SER A 18 -6.481 -3.628 -8.052 1.00 0.00 C ATOM 282 O SER A 18 -6.030 -3.286 -9.143 1.00 0.00 O ATOM 283 CB SER A 18 -5.123 -5.653 -7.385 1.00 0.00 C ATOM 284 OG SER A 18 -4.279 -6.241 -6.381 1.00 0.00 O ATOM 0 H SER A 18 -6.344 -5.291 -5.345 1.00 0.00 H new ATOM 0 HA SER A 18 -4.705 -3.591 -6.878 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.997 -6.284 -7.546 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.587 -5.603 -8.333 1.00 0.00 H new ATOM 0 HG SER A 18 -4.831 -6.574 -5.643 1.00 0.00 H new ATOM 290 N GLN A 19 -7.748 -3.476 -7.736 1.00 0.00 N ATOM 291 CA GLN A 19 -8.700 -2.906 -8.659 1.00 0.00 C ATOM 292 C GLN A 19 -8.754 -1.380 -8.490 1.00 0.00 C ATOM 293 O GLN A 19 -9.313 -0.664 -9.321 1.00 0.00 O ATOM 294 CB GLN A 19 -10.066 -3.547 -8.443 1.00 0.00 C ATOM 295 CG GLN A 19 -10.046 -5.059 -8.656 1.00 0.00 C ATOM 296 CD GLN A 19 -11.349 -5.740 -8.307 1.00 0.00 C ATOM 297 OE1 GLN A 19 -12.425 -5.159 -8.417 1.00 0.00 O ATOM 298 NE2 GLN A 19 -11.262 -6.970 -7.883 1.00 0.00 N ATOM 0 H GLN A 19 -8.145 -3.743 -6.835 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.388 -3.110 -9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.409 -3.331 -7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.786 -3.097 -9.126 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.806 -5.267 -9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.248 -5.491 -8.053 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.350 -7.419 -7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.106 -7.483 -7.629 1.00 0.00 H new ATOM 307 N TYR A 20 -8.150 -0.894 -7.426 1.00 0.00 N ATOM 308 CA TYR A 20 -8.059 0.540 -7.145 1.00 0.00 C ATOM 309 C TYR A 20 -6.671 1.048 -7.490 1.00 0.00 C ATOM 310 O TYR A 20 -6.166 2.004 -6.910 1.00 0.00 O ATOM 311 CB TYR A 20 -8.407 0.826 -5.691 1.00 0.00 C ATOM 312 CG TYR A 20 -9.883 0.683 -5.381 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.731 1.769 -5.534 1.00 0.00 C ATOM 314 CD2 TYR A 20 -10.430 -0.515 -4.934 1.00 0.00 C ATOM 315 CE1 TYR A 20 -12.069 1.680 -5.254 1.00 0.00 C ATOM 316 CE2 TYR A 20 -11.785 -0.614 -4.652 1.00 0.00 C ATOM 317 CZ TYR A 20 -12.596 0.494 -4.814 1.00 0.00 C ATOM 318 OH TYR A 20 -13.941 0.418 -4.529 1.00 0.00 O ATOM 0 H TYR A 20 -7.702 -1.480 -6.721 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.782 1.069 -7.766 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.843 0.148 -5.051 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.088 1.838 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.327 2.708 -5.882 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -9.793 -1.378 -4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.707 2.542 -5.380 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.203 -1.549 -4.309 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.161 -0.489 -4.230 1.00 0.00 H new ATOM 328 N ASN A 21 -6.111 0.423 -8.494 1.00 0.00 N ATOM 329 CA ASN A 21 -4.786 0.730 -9.021 1.00 0.00 C ATOM 330 C ASN A 21 -4.810 1.998 -9.883 1.00 0.00 C ATOM 331 O ASN A 21 -3.763 2.546 -10.240 1.00 0.00 O ATOM 332 CB ASN A 21 -4.283 -0.455 -9.856 1.00 0.00 C ATOM 333 CG ASN A 21 -5.164 -0.766 -11.070 1.00 0.00 C ATOM 334 OD1 ASN A 21 -6.383 -0.508 -11.077 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.578 -1.327 -12.081 1.00 0.00 N ATOM 0 H ASN A 21 -6.572 -0.340 -8.990 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.114 0.906 -8.181 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.269 -0.244 -10.197 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.228 -1.339 -9.221 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.117 -1.570 -12.912 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.578 -1.526 -12.045 1.00 0.00 H new ATOM 342 N GLY A 22 -6.004 2.441 -10.225 1.00 0.00 N ATOM 343 CA GLY A 22 -6.154 3.652 -10.999 1.00 0.00 C ATOM 344 C GLY A 22 -6.045 3.424 -12.494 1.00 0.00 C ATOM 345 O GLY A 22 -5.595 4.301 -13.230 1.00 0.00 O ATOM 0 H GLY A 22 -6.880 1.980 -9.979 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.122 4.100 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.393 4.369 -10.691 1.00 0.00 H new ATOM 349 N THR A 23 -6.463 2.249 -12.959 1.00 0.00 N ATOM 350 CA THR A 23 -6.429 1.963 -14.397 1.00 0.00 C ATOM 351 C THR A 23 -7.753 2.365 -14.994 1.00 0.00 C ATOM 352 O THR A 23 -7.951 2.363 -16.212 1.00 0.00 O ATOM 353 CB THR A 23 -6.142 0.470 -14.697 1.00 0.00 C ATOM 354 OG1 THR A 23 -5.943 0.251 -16.111 1.00 0.00 O ATOM 355 CG2 THR A 23 -7.281 -0.418 -14.214 1.00 0.00 C ATOM 0 H THR A 23 -6.823 1.492 -12.378 1.00 0.00 H new ATOM 0 HA THR A 23 -5.614 2.534 -14.842 1.00 0.00 H new ATOM 0 HB THR A 23 -5.230 0.208 -14.160 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.619 0.747 -16.617 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.051 -1.459 -14.438 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.405 -0.298 -13.138 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.204 -0.133 -14.720 1.00 0.00 H new ATOM 363 N ASP A 24 -8.651 2.683 -14.122 1.00 0.00 N ATOM 364 CA ASP A 24 -9.921 3.184 -14.487 1.00 0.00 C ATOM 365 C ASP A 24 -9.772 4.683 -14.537 1.00 0.00 C ATOM 366 O ASP A 24 -8.657 5.185 -14.322 1.00 0.00 O ATOM 367 CB ASP A 24 -10.980 2.792 -13.466 1.00 0.00 C ATOM 368 CG ASP A 24 -11.207 1.299 -13.345 1.00 0.00 C ATOM 369 OD1 ASP A 24 -12.048 0.752 -14.083 1.00 0.00 O ATOM 370 OD2 ASP A 24 -10.562 0.661 -12.480 1.00 0.00 O ATOM 0 H ASP A 24 -8.513 2.597 -13.115 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.244 2.775 -15.444 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.690 3.184 -12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.922 3.270 -13.735 1.00 0.00 H new ATOM 375 N GLU A 25 -10.810 5.415 -14.820 1.00 0.00 N ATOM 376 CA GLU A 25 -10.664 6.835 -14.847 1.00 0.00 C ATOM 377 C GLU A 25 -10.658 7.405 -13.449 1.00 0.00 C ATOM 378 O GLU A 25 -11.711 7.708 -12.874 1.00 0.00 O ATOM 379 CB GLU A 25 -11.674 7.521 -15.749 1.00 0.00 C ATOM 380 CG GLU A 25 -11.520 7.145 -17.205 1.00 0.00 C ATOM 381 CD GLU A 25 -12.393 7.967 -18.096 1.00 0.00 C ATOM 382 OE1 GLU A 25 -12.019 9.117 -18.395 1.00 0.00 O ATOM 383 OE2 GLU A 25 -13.463 7.493 -18.509 1.00 0.00 O ATOM 0 H GLU A 25 -11.743 5.061 -15.030 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.692 7.045 -15.293 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.681 7.265 -15.418 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.570 8.601 -15.646 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.479 7.271 -17.503 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.763 6.090 -17.334 1.00 0.00 H new ATOM 390 N SER A 26 -9.463 7.442 -12.879 1.00 0.00 N ATOM 391 CA SER A 26 -9.202 7.991 -11.578 1.00 0.00 C ATOM 392 C SER A 26 -9.691 7.075 -10.462 1.00 0.00 C ATOM 393 O SER A 26 -8.946 6.194 -10.012 1.00 0.00 O ATOM 394 CB SER A 26 -9.754 9.441 -11.439 1.00 0.00 C ATOM 395 OG SER A 26 -9.531 9.996 -10.136 1.00 0.00 O ATOM 0 H SER A 26 -8.627 7.075 -13.334 1.00 0.00 H new ATOM 0 HA SER A 26 -8.119 8.057 -11.471 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.282 10.078 -12.186 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.823 9.440 -11.651 1.00 0.00 H new ATOM 0 HG SER A 26 -9.894 10.906 -10.101 1.00 0.00 H new ATOM 401 N LYS A 27 -10.974 7.241 -10.075 1.00 0.00 N ATOM 402 CA LYS A 27 -11.571 6.578 -8.902 1.00 0.00 C ATOM 403 C LYS A 27 -10.731 6.964 -7.651 1.00 0.00 C ATOM 404 O LYS A 27 -9.886 7.871 -7.739 1.00 0.00 O ATOM 405 CB LYS A 27 -11.602 5.038 -9.077 1.00 0.00 C ATOM 406 CG LYS A 27 -12.213 4.538 -10.368 1.00 0.00 C ATOM 407 CD LYS A 27 -12.494 3.036 -10.296 1.00 0.00 C ATOM 408 CE LYS A 27 -11.267 2.240 -9.859 1.00 0.00 C ATOM 409 NZ LYS A 27 -11.508 0.786 -9.925 1.00 0.00 N ATOM 0 H LYS A 27 -11.628 7.845 -10.574 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.603 6.908 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.581 4.662 -9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.156 4.607 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.140 5.076 -10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.538 4.746 -11.198 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.311 2.854 -9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.825 2.683 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.420 2.498 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.997 2.518 -8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.797 0.290 -9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.458 0.575 -9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.439 0.467 -10.912 1.00 0.00 H new ATOM 423 N PRO A 28 -10.986 6.396 -6.459 1.00 0.00 N ATOM 424 CA PRO A 28 -10.063 6.554 -5.354 1.00 0.00 C ATOM 425 C PRO A 28 -8.886 5.578 -5.511 1.00 0.00 C ATOM 426 O PRO A 28 -9.081 4.409 -5.876 1.00 0.00 O ATOM 427 CB PRO A 28 -10.896 6.198 -4.114 1.00 0.00 C ATOM 428 CG PRO A 28 -12.295 6.003 -4.601 1.00 0.00 C ATOM 429 CD PRO A 28 -12.190 5.662 -6.050 1.00 0.00 C ATOM 0 HA PRO A 28 -9.638 7.556 -5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.519 5.293 -3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.849 6.994 -3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.791 5.205 -4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.887 6.907 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.085 4.589 -6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.070 5.982 -6.608 1.00 0.00 H new ATOM 437 N ILE A 29 -7.690 6.044 -5.247 1.00 0.00 N ATOM 438 CA ILE A 29 -6.503 5.216 -5.397 1.00 0.00 C ATOM 439 C ILE A 29 -6.013 4.847 -4.005 1.00 0.00 C ATOM 440 O ILE A 29 -6.023 5.691 -3.092 1.00 0.00 O ATOM 441 CB ILE A 29 -5.317 5.921 -6.191 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.723 6.412 -7.600 1.00 0.00 C ATOM 443 CG2 ILE A 29 -4.127 4.979 -6.332 1.00 0.00 C ATOM 444 CD1 ILE A 29 -6.648 7.597 -7.633 1.00 0.00 C ATOM 0 H ILE A 29 -7.505 6.994 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.788 4.344 -5.986 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.050 6.795 -5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.818 6.665 -8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.199 5.587 -8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.328 5.481 -6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.768 4.696 -5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.433 4.086 -6.877 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.868 7.858 -8.668 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.575 7.349 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.172 8.444 -7.139 1.00 0.00 H new ATOM 456 N TYR A 30 -5.595 3.615 -3.822 1.00 0.00 N ATOM 457 CA TYR A 30 -5.166 3.160 -2.524 1.00 0.00 C ATOM 458 C TYR A 30 -3.874 2.416 -2.608 1.00 0.00 C ATOM 459 O TYR A 30 -3.576 1.759 -3.609 1.00 0.00 O ATOM 460 CB TYR A 30 -6.219 2.255 -1.877 1.00 0.00 C ATOM 461 CG TYR A 30 -7.573 2.889 -1.713 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.821 3.786 -0.692 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.601 2.588 -2.579 1.00 0.00 C ATOM 464 CE1 TYR A 30 -9.062 4.362 -0.544 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.839 3.160 -2.440 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.062 4.047 -1.423 1.00 0.00 C ATOM 467 OH TYR A 30 -11.307 4.616 -1.280 1.00 0.00 O ATOM 0 H TYR A 30 -5.544 2.911 -4.558 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.028 4.049 -1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.325 1.354 -2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.858 1.942 -0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.030 4.039 -0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.428 1.888 -3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.245 5.058 0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.633 2.912 -3.129 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.900 4.287 -1.987 1.00 0.00 H new ATOM 477 N VAL A 31 -3.114 2.536 -1.571 1.00 0.00 N ATOM 478 CA VAL A 31 -1.896 1.801 -1.405 1.00 0.00 C ATOM 479 C VAL A 31 -1.980 1.112 -0.078 1.00 0.00 C ATOM 480 O VAL A 31 -2.747 1.542 0.798 1.00 0.00 O ATOM 481 CB VAL A 31 -0.623 2.701 -1.404 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.419 3.423 -2.716 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.636 3.678 -0.247 1.00 0.00 C ATOM 0 H VAL A 31 -3.324 3.162 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.798 1.114 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 31 0.226 2.030 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.481 4.035 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.312 2.694 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.279 4.062 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.266 4.289 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.513 4.321 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.670 3.128 0.693 1.00 0.00 H new ATOM 493 N ALA A 32 -1.245 0.075 0.091 1.00 0.00 N ATOM 494 CA ALA A 32 -1.229 -0.588 1.340 1.00 0.00 C ATOM 495 C ALA A 32 0.193 -0.748 1.820 1.00 0.00 C ATOM 496 O ALA A 32 1.093 -1.111 1.052 1.00 0.00 O ATOM 497 CB ALA A 32 -1.969 -1.910 1.271 1.00 0.00 C ATOM 0 H ALA A 32 -0.644 -0.334 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.760 0.022 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.939 -2.395 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.006 -1.732 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.495 -2.554 0.531 1.00 0.00 H new ATOM 503 N ILE A 33 0.401 -0.417 3.055 1.00 0.00 N ATOM 504 CA ILE A 33 1.683 -0.537 3.686 1.00 0.00 C ATOM 505 C ILE A 33 1.484 -1.159 5.031 1.00 0.00 C ATOM 506 O ILE A 33 0.760 -0.592 5.875 1.00 0.00 O ATOM 507 CB ILE A 33 2.385 0.839 3.877 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.674 1.509 2.540 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.667 0.705 4.695 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.393 2.824 2.686 1.00 0.00 C ATOM 0 H ILE A 33 -0.327 -0.049 3.667 1.00 0.00 H new ATOM 0 HA ILE A 33 2.319 -1.146 3.043 1.00 0.00 H new ATOM 0 HB ILE A 33 1.694 1.474 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.275 0.838 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.735 1.671 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.130 1.685 4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.430 0.300 5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.357 0.034 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.571 3.253 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.783 3.509 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.346 2.663 3.189 1.00 0.00 H new ATOM 522 N LYS A 34 2.083 -2.330 5.224 1.00 0.00 N ATOM 523 CA LYS A 34 2.049 -3.073 6.481 1.00 0.00 C ATOM 524 C LYS A 34 0.630 -3.649 6.669 1.00 0.00 C ATOM 525 O LYS A 34 0.228 -4.047 7.766 1.00 0.00 O ATOM 526 CB LYS A 34 2.431 -2.121 7.636 1.00 0.00 C ATOM 527 CG LYS A 34 3.336 -2.677 8.703 1.00 0.00 C ATOM 528 CD LYS A 34 4.716 -2.985 8.133 1.00 0.00 C ATOM 529 CE LYS A 34 5.719 -3.277 9.234 1.00 0.00 C ATOM 530 NZ LYS A 34 5.918 -2.095 10.121 1.00 0.00 N ATOM 0 H LYS A 34 2.618 -2.800 4.494 1.00 0.00 H new ATOM 0 HA LYS A 34 2.761 -3.898 6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.912 -1.242 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.512 -1.780 8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.426 -1.961 9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.899 -3.584 9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.651 -3.841 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.062 -2.140 7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.373 -4.124 9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.672 -3.566 8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.596 -2.335 10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.287 -1.300 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.009 -1.825 10.549 1.00 0.00 H new ATOM 544 N GLY A 35 -0.108 -3.714 5.560 1.00 0.00 N ATOM 545 CA GLY A 35 -1.472 -4.190 5.565 1.00 0.00 C ATOM 546 C GLY A 35 -2.467 -3.069 5.795 1.00 0.00 C ATOM 547 O GLY A 35 -3.679 -3.286 5.794 1.00 0.00 O ATOM 0 H GLY A 35 0.232 -3.436 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.689 -4.677 4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.590 -4.944 6.344 1.00 0.00 H new ATOM 551 N ARG A 36 -1.952 -1.881 5.980 1.00 0.00 N ATOM 552 CA ARG A 36 -2.765 -0.710 6.238 1.00 0.00 C ATOM 553 C ARG A 36 -2.996 0.011 4.939 1.00 0.00 C ATOM 554 O ARG A 36 -2.044 0.302 4.220 1.00 0.00 O ATOM 555 CB ARG A 36 -2.030 0.211 7.196 1.00 0.00 C ATOM 556 CG ARG A 36 -1.692 -0.426 8.527 1.00 0.00 C ATOM 557 CD ARG A 36 -0.787 0.471 9.334 1.00 0.00 C ATOM 558 NE ARG A 36 0.484 0.677 8.634 1.00 0.00 N ATOM 559 CZ ARG A 36 1.605 1.126 9.191 1.00 0.00 C ATOM 560 NH1 ARG A 36 1.621 1.524 10.458 1.00 0.00 N ATOM 561 NH2 ARG A 36 2.706 1.190 8.464 1.00 0.00 N ATOM 0 H ARG A 36 -0.950 -1.693 5.957 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.717 -1.007 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.108 0.550 6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.641 1.096 7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.608 -0.623 9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.206 -1.388 8.362 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.275 1.431 9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.603 0.027 10.312 1.00 0.00 H new ATOM 0 HE ARG A 36 0.511 0.458 7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.767 1.487 11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.487 1.866 10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.690 0.897 7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.572 1.533 8.879 1.00 0.00 H new ATOM 575 N VAL A 37 -4.226 0.294 4.640 1.00 0.00 N ATOM 576 CA VAL A 37 -4.564 0.953 3.403 1.00 0.00 C ATOM 577 C VAL A 37 -4.652 2.449 3.588 1.00 0.00 C ATOM 578 O VAL A 37 -5.402 2.941 4.425 1.00 0.00 O ATOM 579 CB VAL A 37 -5.875 0.403 2.802 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.266 1.166 1.551 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.699 -1.051 2.467 1.00 0.00 C ATOM 0 H VAL A 37 -5.024 0.079 5.238 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.761 0.741 2.697 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.669 0.524 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.193 0.756 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.410 2.218 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.476 1.073 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.624 -1.441 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.892 -1.162 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.453 -1.606 3.372 1.00 0.00 H new ATOM 591 N PHE A 38 -3.882 3.150 2.812 1.00 0.00 N ATOM 592 CA PHE A 38 -3.839 4.591 2.831 1.00 0.00 C ATOM 593 C PHE A 38 -4.541 5.112 1.590 1.00 0.00 C ATOM 594 O PHE A 38 -4.372 4.548 0.494 1.00 0.00 O ATOM 595 CB PHE A 38 -2.385 5.073 2.806 1.00 0.00 C ATOM 596 CG PHE A 38 -1.531 4.676 3.990 1.00 0.00 C ATOM 597 CD1 PHE A 38 -1.062 3.378 4.132 1.00 0.00 C ATOM 598 CD2 PHE A 38 -1.184 5.609 4.947 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.270 3.024 5.205 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.392 5.258 6.024 1.00 0.00 C ATOM 601 CZ PHE A 38 0.066 3.964 6.152 1.00 0.00 C ATOM 0 H PHE A 38 -3.249 2.731 2.130 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.327 4.956 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.913 4.693 1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.385 6.161 2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.320 2.634 3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.536 6.626 4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.086 2.009 5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.132 5.998 6.766 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.686 3.689 6.992 1.00 0.00 H new ATOM 611 N ASP A 39 -5.319 6.158 1.744 1.00 0.00 N ATOM 612 CA ASP A 39 -6.008 6.752 0.606 1.00 0.00 C ATOM 613 C ASP A 39 -5.063 7.738 -0.050 1.00 0.00 C ATOM 614 O ASP A 39 -4.716 8.766 0.539 1.00 0.00 O ATOM 615 CB ASP A 39 -7.294 7.477 1.048 1.00 0.00 C ATOM 616 CG ASP A 39 -8.171 7.924 -0.122 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.710 8.739 -0.962 1.00 0.00 O ATOM 618 OD2 ASP A 39 -9.359 7.478 -0.191 1.00 0.00 O ATOM 0 H ASP A 39 -5.495 6.618 2.637 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.296 5.967 -0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.872 6.816 1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.024 8.349 1.644 1.00 0.00 H new ATOM 623 N VAL A 40 -4.628 7.424 -1.245 1.00 0.00 N ATOM 624 CA VAL A 40 -3.676 8.264 -1.951 1.00 0.00 C ATOM 625 C VAL A 40 -4.318 8.971 -3.117 1.00 0.00 C ATOM 626 O VAL A 40 -3.629 9.423 -4.031 1.00 0.00 O ATOM 627 CB VAL A 40 -2.431 7.477 -2.449 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.601 6.976 -1.295 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.828 6.321 -3.336 1.00 0.00 C ATOM 0 H VAL A 40 -4.916 6.590 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.340 9.002 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.829 8.172 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.738 6.430 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.260 7.822 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.204 6.313 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.934 5.792 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.468 5.638 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.369 6.698 -4.204 1.00 0.00 H new ATOM 639 N THR A 41 -5.628 9.139 -3.059 1.00 0.00 N ATOM 640 CA THR A 41 -6.349 9.797 -4.134 1.00 0.00 C ATOM 641 C THR A 41 -5.958 11.278 -4.148 1.00 0.00 C ATOM 642 O THR A 41 -6.002 11.955 -5.186 1.00 0.00 O ATOM 643 CB THR A 41 -7.863 9.663 -3.924 1.00 0.00 C ATOM 644 OG1 THR A 41 -8.157 8.305 -3.589 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.612 10.030 -5.199 1.00 0.00 C ATOM 0 H THR A 41 -6.212 8.830 -2.282 1.00 0.00 H new ATOM 0 HA THR A 41 -6.092 9.330 -5.085 1.00 0.00 H new ATOM 0 HB THR A 41 -8.176 10.335 -3.125 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.046 8.175 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.685 9.930 -5.033 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.382 11.060 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.306 9.364 -6.005 1.00 0.00 H new ATOM 653 N THR A 42 -5.530 11.749 -2.981 1.00 0.00 N ATOM 654 CA THR A 42 -5.077 13.098 -2.790 1.00 0.00 C ATOM 655 C THR A 42 -3.803 13.332 -3.631 1.00 0.00 C ATOM 656 O THR A 42 -3.548 14.435 -4.119 1.00 0.00 O ATOM 657 CB THR A 42 -4.732 13.301 -1.306 1.00 0.00 C ATOM 658 OG1 THR A 42 -5.793 12.762 -0.496 1.00 0.00 O ATOM 659 CG2 THR A 42 -4.593 14.773 -0.995 1.00 0.00 C ATOM 0 H THR A 42 -5.493 11.183 -2.133 1.00 0.00 H new ATOM 0 HA THR A 42 -5.857 13.795 -3.096 1.00 0.00 H new ATOM 0 HB THR A 42 -3.791 12.795 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.577 12.887 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.349 14.901 0.060 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.798 15.200 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.532 15.281 -1.214 1.00 0.00 H new ATOM 667 N GLY A 43 -3.043 12.268 -3.823 1.00 0.00 N ATOM 668 CA GLY A 43 -1.827 12.338 -4.576 1.00 0.00 C ATOM 669 C GLY A 43 -1.891 11.432 -5.777 1.00 0.00 C ATOM 670 O GLY A 43 -0.942 10.707 -6.072 1.00 0.00 O ATOM 0 H GLY A 43 -3.260 11.340 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.651 13.365 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.985 12.054 -3.944 1.00 0.00 H new ATOM 674 N LYS A 44 -3.023 11.471 -6.475 1.00 0.00 N ATOM 675 CA LYS A 44 -3.264 10.659 -7.629 1.00 0.00 C ATOM 676 C LYS A 44 -2.188 10.859 -8.680 1.00 0.00 C ATOM 677 O LYS A 44 -1.755 9.909 -9.304 1.00 0.00 O ATOM 678 CB LYS A 44 -4.608 11.004 -8.195 1.00 0.00 C ATOM 679 CG LYS A 44 -4.974 10.189 -9.383 1.00 0.00 C ATOM 680 CD LYS A 44 -6.349 10.512 -9.859 1.00 0.00 C ATOM 681 CE LYS A 44 -6.506 11.933 -10.401 1.00 0.00 C ATOM 682 NZ LYS A 44 -5.744 12.145 -11.647 1.00 0.00 N ATOM 0 H LYS A 44 -3.803 12.084 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.242 9.611 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.365 10.868 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.619 12.059 -8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.258 10.369 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.913 9.130 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.627 9.804 -10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.049 10.369 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.561 12.135 -10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.171 12.646 -9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.421 13.133 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.920 11.510 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.353 11.942 -12.465 1.00 0.00 H new ATOM 696 N SER A 45 -1.770 12.094 -8.846 1.00 0.00 N ATOM 697 CA SER A 45 -0.680 12.467 -9.754 1.00 0.00 C ATOM 698 C SER A 45 0.583 11.583 -9.548 1.00 0.00 C ATOM 699 O SER A 45 1.344 11.352 -10.476 1.00 0.00 O ATOM 700 CB SER A 45 -0.319 13.928 -9.508 1.00 0.00 C ATOM 701 OG SER A 45 -1.472 14.752 -9.619 1.00 0.00 O ATOM 0 H SER A 45 -2.177 12.888 -8.352 1.00 0.00 H new ATOM 0 HA SER A 45 -1.023 12.315 -10.777 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.120 14.038 -8.516 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.435 14.248 -10.227 1.00 0.00 H new ATOM 0 HG SER A 45 -1.223 15.686 -9.457 1.00 0.00 H new ATOM 707 N PHE A 46 0.776 11.091 -8.339 1.00 0.00 N ATOM 708 CA PHE A 46 1.921 10.261 -8.035 1.00 0.00 C ATOM 709 C PHE A 46 1.593 8.783 -8.245 1.00 0.00 C ATOM 710 O PHE A 46 2.368 8.040 -8.850 1.00 0.00 O ATOM 711 CB PHE A 46 2.350 10.446 -6.572 1.00 0.00 C ATOM 712 CG PHE A 46 2.702 11.847 -6.172 1.00 0.00 C ATOM 713 CD1 PHE A 46 3.995 12.312 -6.303 1.00 0.00 C ATOM 714 CD2 PHE A 46 1.739 12.697 -5.648 1.00 0.00 C ATOM 715 CE1 PHE A 46 4.323 13.594 -5.922 1.00 0.00 C ATOM 716 CE2 PHE A 46 2.061 13.981 -5.268 1.00 0.00 C ATOM 717 CZ PHE A 46 3.356 14.429 -5.404 1.00 0.00 C ATOM 0 H PHE A 46 0.151 11.254 -7.550 1.00 0.00 H new ATOM 0 HA PHE A 46 2.726 10.563 -8.705 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.543 10.096 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.211 9.806 -6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.757 11.664 -6.709 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.723 12.347 -5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.339 13.946 -6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.301 14.634 -4.865 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.614 15.434 -5.105 1.00 0.00 H new ATOM 727 N TYR A 47 0.444 8.365 -7.740 1.00 0.00 N ATOM 728 CA TYR A 47 0.098 6.952 -7.707 1.00 0.00 C ATOM 729 C TYR A 47 -0.772 6.474 -8.877 1.00 0.00 C ATOM 730 O TYR A 47 -0.463 5.458 -9.486 1.00 0.00 O ATOM 731 CB TYR A 47 -0.564 6.620 -6.369 1.00 0.00 C ATOM 732 CG TYR A 47 0.306 7.003 -5.196 1.00 0.00 C ATOM 733 CD1 TYR A 47 1.251 6.132 -4.687 1.00 0.00 C ATOM 734 CD2 TYR A 47 0.199 8.258 -4.624 1.00 0.00 C ATOM 735 CE1 TYR A 47 2.061 6.506 -3.635 1.00 0.00 C ATOM 736 CE2 TYR A 47 1.003 8.640 -3.586 1.00 0.00 C ATOM 737 CZ TYR A 47 1.929 7.768 -3.092 1.00 0.00 C ATOM 738 OH TYR A 47 2.738 8.160 -2.057 1.00 0.00 O ATOM 0 H TYR A 47 -0.266 8.983 -7.347 1.00 0.00 H new ATOM 0 HA TYR A 47 1.036 6.408 -7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.519 7.141 -6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.780 5.552 -6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.356 5.147 -5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.536 8.951 -5.006 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.793 5.817 -3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.906 9.627 -3.159 1.00 0.00 H new ATOM 0 HH TYR A 47 2.861 7.412 -1.436 1.00 0.00 H new ATOM 748 N GLY A 48 -1.824 7.203 -9.211 1.00 0.00 N ATOM 749 CA GLY A 48 -2.758 6.699 -10.208 1.00 0.00 C ATOM 750 C GLY A 48 -2.846 7.536 -11.465 1.00 0.00 C ATOM 751 O GLY A 48 -3.870 7.521 -12.152 1.00 0.00 O ATOM 0 H GLY A 48 -2.050 8.118 -8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.466 5.685 -10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.749 6.635 -9.759 1.00 0.00 H new ATOM 755 N SER A 49 -1.821 8.290 -11.759 1.00 0.00 N ATOM 756 CA SER A 49 -1.796 9.066 -12.983 1.00 0.00 C ATOM 757 C SER A 49 -0.404 9.102 -13.606 1.00 0.00 C ATOM 758 O SER A 49 0.339 10.065 -13.429 1.00 0.00 O ATOM 759 CB SER A 49 -2.344 10.481 -12.762 1.00 0.00 C ATOM 760 OG SER A 49 -3.669 10.425 -12.252 1.00 0.00 O ATOM 0 H SER A 49 -0.991 8.388 -11.174 1.00 0.00 H new ATOM 0 HA SER A 49 -2.454 8.563 -13.692 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.702 11.022 -12.066 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.332 11.033 -13.702 1.00 0.00 H new ATOM 0 HG SER A 49 -4.306 10.404 -12.997 1.00 0.00 H new ATOM 766 N GLY A 50 -0.040 8.000 -14.269 1.00 0.00 N ATOM 767 CA GLY A 50 1.240 7.882 -14.967 1.00 0.00 C ATOM 768 C GLY A 50 2.437 8.196 -14.100 1.00 0.00 C ATOM 769 O GLY A 50 3.396 8.825 -14.559 1.00 0.00 O ATOM 0 H GLY A 50 -0.625 7.167 -14.336 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.340 6.868 -15.355 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.239 8.553 -15.826 1.00 0.00 H new ATOM 773 N GLY A 51 2.400 7.750 -12.869 1.00 0.00 N ATOM 774 CA GLY A 51 3.458 8.077 -11.953 1.00 0.00 C ATOM 775 C GLY A 51 4.402 6.930 -11.688 1.00 0.00 C ATOM 776 O GLY A 51 4.120 5.775 -12.041 1.00 0.00 O ATOM 0 H GLY A 51 1.657 7.167 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.025 8.919 -12.351 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.022 8.404 -11.009 1.00 0.00 H new ATOM 780 N ASP A 52 5.519 7.250 -11.063 1.00 0.00 N ATOM 781 CA ASP A 52 6.542 6.273 -10.673 1.00 0.00 C ATOM 782 C ASP A 52 6.006 5.386 -9.564 1.00 0.00 C ATOM 783 O ASP A 52 6.344 4.208 -9.451 1.00 0.00 O ATOM 784 CB ASP A 52 7.806 7.016 -10.193 1.00 0.00 C ATOM 785 CG ASP A 52 8.908 6.100 -9.679 1.00 0.00 C ATOM 786 OD1 ASP A 52 9.667 5.527 -10.495 1.00 0.00 O ATOM 787 OD2 ASP A 52 9.053 5.958 -8.456 1.00 0.00 O ATOM 0 H ASP A 52 5.754 8.208 -10.804 1.00 0.00 H new ATOM 0 HA ASP A 52 6.797 5.651 -11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.199 7.612 -11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.527 7.711 -9.401 1.00 0.00 H new ATOM 792 N TYR A 53 5.102 5.945 -8.793 1.00 0.00 N ATOM 793 CA TYR A 53 4.519 5.261 -7.667 1.00 0.00 C ATOM 794 C TYR A 53 3.314 4.417 -8.082 1.00 0.00 C ATOM 795 O TYR A 53 2.548 3.950 -7.238 1.00 0.00 O ATOM 796 CB TYR A 53 4.133 6.257 -6.578 1.00 0.00 C ATOM 797 CG TYR A 53 5.304 7.018 -6.003 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.119 6.440 -5.042 1.00 0.00 C ATOM 799 CD2 TYR A 53 5.594 8.313 -6.416 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.190 7.122 -4.510 1.00 0.00 C ATOM 801 CE2 TYR A 53 6.665 9.004 -5.889 1.00 0.00 C ATOM 802 CZ TYR A 53 7.461 8.401 -4.935 1.00 0.00 C ATOM 803 OH TYR A 53 8.531 9.085 -4.400 1.00 0.00 O ATOM 0 H TYR A 53 4.750 6.892 -8.932 1.00 0.00 H new ATOM 0 HA TYR A 53 5.271 4.581 -7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.416 6.968 -6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.628 5.723 -5.773 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.910 5.436 -4.704 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.971 8.785 -7.161 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.814 6.655 -3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.880 10.009 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 53 8.587 9.975 -4.807 1.00 0.00 H new ATOM 813 N SER A 54 3.185 4.175 -9.377 1.00 0.00 N ATOM 814 CA SER A 54 2.095 3.376 -9.920 1.00 0.00 C ATOM 815 C SER A 54 2.202 1.915 -9.439 1.00 0.00 C ATOM 816 O SER A 54 1.217 1.172 -9.427 1.00 0.00 O ATOM 817 CB SER A 54 2.122 3.436 -11.454 1.00 0.00 C ATOM 818 OG SER A 54 1.011 2.765 -12.033 1.00 0.00 O ATOM 0 H SER A 54 3.833 4.527 -10.082 1.00 0.00 H new ATOM 0 HA SER A 54 1.149 3.784 -9.564 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.125 4.477 -11.776 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.046 2.987 -11.818 1.00 0.00 H new ATOM 0 HG SER A 54 1.064 2.827 -13.010 1.00 0.00 H new ATOM 824 N MET A 55 3.399 1.517 -9.005 1.00 0.00 N ATOM 825 CA MET A 55 3.615 0.147 -8.544 1.00 0.00 C ATOM 826 C MET A 55 2.988 -0.061 -7.187 1.00 0.00 C ATOM 827 O MET A 55 2.776 -1.185 -6.763 1.00 0.00 O ATOM 828 CB MET A 55 5.098 -0.200 -8.458 1.00 0.00 C ATOM 829 CG MET A 55 5.868 0.060 -9.720 1.00 0.00 C ATOM 830 SD MET A 55 5.131 -0.701 -11.177 1.00 0.00 S ATOM 831 CE MET A 55 6.285 -0.167 -12.441 1.00 0.00 C ATOM 0 H MET A 55 4.223 2.116 -8.963 1.00 0.00 H new ATOM 0 HA MET A 55 3.146 -0.509 -9.278 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.547 0.374 -7.648 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.198 -1.253 -8.196 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.940 1.136 -9.878 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.885 -0.313 -9.600 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.970 -0.556 -13.409 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.306 0.922 -12.477 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.281 -0.542 -12.206 1.00 0.00 H new ATOM 841 N PHE A 56 2.695 1.030 -6.518 1.00 0.00 N ATOM 842 CA PHE A 56 2.119 0.989 -5.193 1.00 0.00 C ATOM 843 C PHE A 56 0.611 1.083 -5.292 1.00 0.00 C ATOM 844 O PHE A 56 -0.111 0.695 -4.378 1.00 0.00 O ATOM 845 CB PHE A 56 2.659 2.155 -4.356 1.00 0.00 C ATOM 846 CG PHE A 56 4.159 2.179 -4.263 1.00 0.00 C ATOM 847 CD1 PHE A 56 4.910 2.860 -5.198 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.808 1.522 -3.253 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.283 2.881 -5.128 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.181 1.533 -3.171 1.00 0.00 C ATOM 851 CZ PHE A 56 6.924 2.216 -4.110 1.00 0.00 C ATOM 0 H PHE A 56 2.849 1.972 -6.877 1.00 0.00 H new ATOM 0 HA PHE A 56 2.390 0.050 -4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.314 3.094 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.241 2.095 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.411 3.386 -5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.234 0.988 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.856 3.418 -5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.678 1.006 -2.370 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.002 2.229 -4.046 1.00 0.00 H new ATOM 861 N ALA A 57 0.147 1.581 -6.421 1.00 0.00 N ATOM 862 CA ALA A 57 -1.259 1.779 -6.655 1.00 0.00 C ATOM 863 C ALA A 57 -1.983 0.453 -6.782 1.00 0.00 C ATOM 864 O ALA A 57 -1.811 -0.282 -7.768 1.00 0.00 O ATOM 865 CB ALA A 57 -1.474 2.636 -7.888 1.00 0.00 C ATOM 0 H ALA A 57 0.742 1.859 -7.202 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.678 2.303 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.542 2.777 -8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.998 3.606 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.036 2.142 -8.755 1.00 0.00 H new ATOM 871 N GLY A 58 -2.727 0.125 -5.756 1.00 0.00 N ATOM 872 CA GLY A 58 -3.516 -1.070 -5.739 1.00 0.00 C ATOM 873 C GLY A 58 -2.691 -2.221 -5.310 1.00 0.00 C ATOM 874 O GLY A 58 -2.941 -3.355 -5.677 1.00 0.00 O ATOM 0 H GLY A 58 -2.799 0.686 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.361 -0.947 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.927 -1.257 -6.731 1.00 0.00 H new ATOM 878 N LYS A 59 -1.704 -1.927 -4.531 1.00 0.00 N ATOM 879 CA LYS A 59 -0.775 -2.893 -4.069 1.00 0.00 C ATOM 880 C LYS A 59 -0.385 -2.620 -2.643 1.00 0.00 C ATOM 881 O LYS A 59 -0.328 -1.463 -2.212 1.00 0.00 O ATOM 882 CB LYS A 59 0.504 -2.800 -4.911 1.00 0.00 C ATOM 883 CG LYS A 59 0.501 -3.354 -6.353 1.00 0.00 C ATOM 884 CD LYS A 59 0.687 -4.894 -6.453 1.00 0.00 C ATOM 885 CE LYS A 59 -0.458 -5.723 -5.903 1.00 0.00 C ATOM 886 NZ LYS A 59 -1.709 -5.499 -6.639 1.00 0.00 N ATOM 0 H LYS A 59 -1.520 -0.983 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.241 -3.875 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.785 -1.748 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.294 -3.314 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.440 -3.083 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.297 -2.867 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.835 -5.158 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.599 -5.168 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.195 -6.780 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.609 -5.479 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.459 -6.098 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.985 -4.499 -6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.570 -5.740 -7.641 1.00 0.00 H new ATOM 900 N ASP A 60 -0.154 -3.669 -1.907 1.00 0.00 N ATOM 901 CA ASP A 60 0.536 -3.535 -0.656 1.00 0.00 C ATOM 902 C ASP A 60 1.968 -3.713 -1.033 1.00 0.00 C ATOM 903 O ASP A 60 2.309 -4.675 -1.727 1.00 0.00 O ATOM 904 CB ASP A 60 0.116 -4.586 0.383 1.00 0.00 C ATOM 905 CG ASP A 60 0.890 -4.455 1.717 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.070 -4.859 1.775 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.324 -3.959 2.720 1.00 0.00 O ATOM 0 H ASP A 60 -0.431 -4.620 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 60 0.317 -2.580 -0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.952 -4.491 0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.278 -5.582 -0.029 1.00 0.00 H new ATOM 912 N ALA A 61 2.784 -2.806 -0.664 1.00 0.00 N ATOM 913 CA ALA A 61 4.137 -2.824 -1.140 1.00 0.00 C ATOM 914 C ALA A 61 5.133 -2.879 -0.011 1.00 0.00 C ATOM 915 O ALA A 61 6.247 -2.381 -0.151 1.00 0.00 O ATOM 916 CB ALA A 61 4.354 -1.598 -1.993 1.00 0.00 C ATOM 0 H ALA A 61 2.554 -2.036 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 61 4.295 -3.726 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.378 -1.591 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.661 -1.613 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.180 -0.703 -1.395 1.00 0.00 H new ATOM 922 N SER A 62 4.777 -3.558 1.064 1.00 0.00 N ATOM 923 CA SER A 62 5.627 -3.631 2.246 1.00 0.00 C ATOM 924 C SER A 62 7.060 -4.148 1.923 1.00 0.00 C ATOM 925 O SER A 62 8.050 -3.585 2.390 1.00 0.00 O ATOM 926 CB SER A 62 4.960 -4.487 3.306 1.00 0.00 C ATOM 927 OG SER A 62 3.670 -3.971 3.621 1.00 0.00 O ATOM 0 H SER A 62 3.899 -4.071 1.146 1.00 0.00 H new ATOM 0 HA SER A 62 5.750 -2.618 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.871 -5.514 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.578 -4.513 4.204 1.00 0.00 H new ATOM 0 HG SER A 62 2.987 -4.477 3.132 1.00 0.00 H new ATOM 933 N ARG A 63 7.158 -5.186 1.112 1.00 0.00 N ATOM 934 CA ARG A 63 8.457 -5.713 0.689 1.00 0.00 C ATOM 935 C ARG A 63 9.189 -4.744 -0.238 1.00 0.00 C ATOM 936 O ARG A 63 10.390 -4.553 -0.116 1.00 0.00 O ATOM 937 CB ARG A 63 8.297 -7.091 0.018 1.00 0.00 C ATOM 938 CG ARG A 63 9.544 -7.601 -0.695 1.00 0.00 C ATOM 939 CD ARG A 63 9.311 -8.943 -1.360 1.00 0.00 C ATOM 940 NE ARG A 63 10.452 -9.330 -2.201 1.00 0.00 N ATOM 941 CZ ARG A 63 10.681 -10.551 -2.692 1.00 0.00 C ATOM 942 NH1 ARG A 63 9.885 -11.574 -2.378 1.00 0.00 N ATOM 943 NH2 ARG A 63 11.722 -10.744 -3.490 1.00 0.00 N ATOM 0 H ARG A 63 6.356 -5.686 0.729 1.00 0.00 H new ATOM 0 HA ARG A 63 9.066 -5.832 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.006 -7.818 0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.480 -7.037 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.855 -6.874 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.361 -7.689 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.144 -9.704 -0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.408 -8.897 -1.968 1.00 0.00 H new ATOM 0 HE ARG A 63 11.129 -8.602 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.090 -11.429 -1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.071 -12.501 -2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.338 -9.965 -3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.907 -11.672 -3.871 1.00 0.00 H new ATOM 957 N ALA A 64 8.447 -4.073 -1.100 1.00 0.00 N ATOM 958 CA ALA A 64 9.026 -3.218 -2.130 1.00 0.00 C ATOM 959 C ALA A 64 9.611 -2.019 -1.484 1.00 0.00 C ATOM 960 O ALA A 64 10.637 -1.503 -1.903 1.00 0.00 O ATOM 961 CB ALA A 64 7.975 -2.812 -3.140 1.00 0.00 C ATOM 0 H ALA A 64 7.427 -4.103 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 64 9.805 -3.767 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.427 -2.175 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.562 -3.703 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.178 -2.266 -2.636 1.00 0.00 H new ATOM 967 N LEU A 65 8.966 -1.610 -0.441 1.00 0.00 N ATOM 968 CA LEU A 65 9.382 -0.519 0.358 1.00 0.00 C ATOM 969 C LEU A 65 10.680 -0.795 1.072 1.00 0.00 C ATOM 970 O LEU A 65 11.432 0.114 1.344 1.00 0.00 O ATOM 971 CB LEU A 65 8.283 -0.137 1.313 1.00 0.00 C ATOM 972 CG LEU A 65 7.063 0.534 0.694 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.056 0.898 1.748 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.489 1.760 -0.039 1.00 0.00 C ATOM 0 H LEU A 65 8.104 -2.047 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 65 9.579 0.328 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.953 -1.036 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.699 0.533 2.065 1.00 0.00 H new ATOM 0 HG LEU A 65 6.596 -0.167 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.195 1.375 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.732 -0.003 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.509 1.586 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.617 2.241 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.970 2.450 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.192 1.487 -0.826 1.00 0.00 H new ATOM 986 N GLY A 66 10.952 -2.042 1.352 1.00 0.00 N ATOM 987 CA GLY A 66 12.186 -2.366 2.003 1.00 0.00 C ATOM 988 C GLY A 66 13.299 -2.621 1.018 1.00 0.00 C ATOM 989 O GLY A 66 14.471 -2.426 1.328 1.00 0.00 O ATOM 0 H GLY A 66 10.346 -2.835 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.470 -1.549 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.045 -3.249 2.626 1.00 0.00 H new ATOM 993 N LYS A 67 12.933 -3.045 -0.170 1.00 0.00 N ATOM 994 CA LYS A 67 13.910 -3.381 -1.194 1.00 0.00 C ATOM 995 C LYS A 67 14.240 -2.158 -2.045 1.00 0.00 C ATOM 996 O LYS A 67 15.289 -2.099 -2.670 1.00 0.00 O ATOM 997 CB LYS A 67 13.364 -4.498 -2.084 1.00 0.00 C ATOM 998 CG LYS A 67 12.855 -5.718 -1.314 1.00 0.00 C ATOM 999 CD LYS A 67 13.924 -6.383 -0.459 1.00 0.00 C ATOM 1000 CE LYS A 67 15.049 -6.950 -1.285 1.00 0.00 C ATOM 1001 NZ LYS A 67 16.056 -7.607 -0.431 1.00 0.00 N ATOM 0 H LYS A 67 11.962 -3.168 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 67 14.823 -3.720 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.551 -4.100 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.148 -4.817 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.026 -5.415 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.461 -6.447 -2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.326 -5.656 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.471 -7.181 0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.652 -7.668 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.520 -6.153 -1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.967 -7.639 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.165 -7.070 0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.747 -8.576 -0.212 1.00 0.00 H new ATOM 1015 N MET A 68 13.291 -1.208 -2.087 1.00 0.00 N ATOM 1016 CA MET A 68 13.392 0.072 -2.833 1.00 0.00 C ATOM 1017 C MET A 68 13.185 -0.206 -4.288 1.00 0.00 C ATOM 1018 O MET A 68 13.509 0.591 -5.163 1.00 0.00 O ATOM 1019 CB MET A 68 14.727 0.810 -2.588 1.00 0.00 C ATOM 1020 CG MET A 68 14.975 1.163 -1.133 1.00 0.00 C ATOM 1021 SD MET A 68 16.502 2.090 -0.868 1.00 0.00 S ATOM 1022 CE MET A 68 16.157 3.597 -1.777 1.00 0.00 C ATOM 0 H MET A 68 12.405 -1.305 -1.591 1.00 0.00 H new ATOM 0 HA MET A 68 12.617 0.744 -2.465 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.547 0.187 -2.946 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.740 1.724 -3.181 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.134 1.749 -0.761 1.00 0.00 H new ATOM 0 HG3 MET A 68 15.009 0.246 -0.545 1.00 0.00 H new ATOM 0 HE1 MET A 68 16.831 4.386 -1.443 1.00 0.00 H new ATOM 0 HE2 MET A 68 16.305 3.421 -2.843 1.00 0.00 H new ATOM 0 HE3 MET A 68 15.126 3.901 -1.599 1.00 0.00 H new ATOM 1032 N SER A 69 12.575 -1.321 -4.516 1.00 0.00 N ATOM 1033 CA SER A 69 12.342 -1.836 -5.808 1.00 0.00 C ATOM 1034 C SER A 69 10.883 -1.684 -6.172 1.00 0.00 C ATOM 1035 O SER A 69 10.007 -1.700 -5.315 1.00 0.00 O ATOM 1036 CB SER A 69 12.783 -3.281 -5.820 1.00 0.00 C ATOM 1037 OG SER A 69 14.166 -3.390 -5.480 1.00 0.00 O ATOM 0 H SER A 69 12.214 -1.917 -3.771 1.00 0.00 H new ATOM 0 HA SER A 69 12.912 -1.286 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.183 -3.855 -5.114 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.611 -3.711 -6.807 1.00 0.00 H new ATOM 0 HG SER A 69 14.432 -4.333 -5.491 1.00 0.00 H new ATOM 1043 N LYS A 70 10.654 -1.525 -7.434 1.00 0.00 N ATOM 1044 CA LYS A 70 9.351 -1.229 -7.971 1.00 0.00 C ATOM 1045 C LYS A 70 8.852 -2.397 -8.798 1.00 0.00 C ATOM 1046 O LYS A 70 7.665 -2.496 -9.131 1.00 0.00 O ATOM 1047 CB LYS A 70 9.528 0.009 -8.798 1.00 0.00 C ATOM 1048 CG LYS A 70 10.086 1.136 -7.960 1.00 0.00 C ATOM 1049 CD LYS A 70 10.590 2.243 -8.803 1.00 0.00 C ATOM 1050 CE LYS A 70 11.052 3.412 -7.955 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.538 4.545 -8.766 1.00 0.00 N ATOM 0 H LYS A 70 11.382 -1.598 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 70 8.605 -1.067 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.199 -0.198 -9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.571 0.307 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.311 1.511 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.894 0.759 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.417 1.888 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.805 2.572 -9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.228 3.748 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.847 3.080 -7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.456 5.425 -8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.534 4.387 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.967 4.623 -9.632 1.00 0.00 H new ATOM 1065 N ASN A 71 9.777 -3.258 -9.136 1.00 0.00 N ATOM 1066 CA ASN A 71 9.489 -4.513 -9.816 1.00 0.00 C ATOM 1067 C ASN A 71 8.495 -5.350 -9.057 1.00 0.00 C ATOM 1068 O ASN A 71 8.538 -5.445 -7.823 1.00 0.00 O ATOM 1069 CB ASN A 71 10.756 -5.321 -10.060 1.00 0.00 C ATOM 1070 CG ASN A 71 11.619 -5.442 -8.824 1.00 0.00 C ATOM 1071 OD1 ASN A 71 12.485 -4.613 -8.579 1.00 0.00 O ATOM 1072 ND2 ASN A 71 11.402 -6.458 -8.059 1.00 0.00 N ATOM 0 H ASN A 71 10.769 -3.113 -8.948 1.00 0.00 H new ATOM 0 HA ASN A 71 9.051 -4.246 -10.778 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.485 -6.318 -10.408 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.333 -4.852 -10.857 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.962 -6.591 -7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.671 -7.128 -8.296 1.00 0.00 H new ATOM 1079 N GLU A 72 7.633 -5.991 -9.810 1.00 0.00 N ATOM 1080 CA GLU A 72 6.543 -6.793 -9.288 1.00 0.00 C ATOM 1081 C GLU A 72 7.007 -7.920 -8.361 1.00 0.00 C ATOM 1082 O GLU A 72 6.254 -8.359 -7.498 1.00 0.00 O ATOM 1083 CB GLU A 72 5.716 -7.356 -10.423 1.00 0.00 C ATOM 1084 CG GLU A 72 6.495 -8.172 -11.432 1.00 0.00 C ATOM 1085 CD GLU A 72 5.608 -8.783 -12.478 1.00 0.00 C ATOM 1086 OE1 GLU A 72 5.117 -9.914 -12.270 1.00 0.00 O ATOM 1087 OE2 GLU A 72 5.379 -8.150 -13.531 1.00 0.00 O ATOM 0 H GLU A 72 7.668 -5.971 -10.829 1.00 0.00 H new ATOM 0 HA GLU A 72 5.932 -6.125 -8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.927 -7.980 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.228 -6.531 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.237 -7.536 -11.915 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.040 -8.962 -10.914 1.00 0.00 H new ATOM 1094 N GLU A 73 8.228 -8.386 -8.560 1.00 0.00 N ATOM 1095 CA GLU A 73 8.836 -9.396 -7.699 1.00 0.00 C ATOM 1096 C GLU A 73 8.831 -8.932 -6.240 1.00 0.00 C ATOM 1097 O GLU A 73 8.469 -9.678 -5.336 1.00 0.00 O ATOM 1098 CB GLU A 73 10.271 -9.635 -8.164 1.00 0.00 C ATOM 1099 CG GLU A 73 11.094 -10.591 -7.325 1.00 0.00 C ATOM 1100 CD GLU A 73 10.557 -11.996 -7.300 1.00 0.00 C ATOM 1101 OE1 GLU A 73 10.859 -12.768 -8.222 1.00 0.00 O ATOM 1102 OE2 GLU A 73 9.859 -12.368 -6.334 1.00 0.00 O ATOM 0 H GLU A 73 8.830 -8.077 -9.323 1.00 0.00 H new ATOM 0 HA GLU A 73 8.263 -10.321 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.242 -10.013 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.786 -8.675 -8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.114 -10.609 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.143 -10.213 -6.304 1.00 0.00 H new ATOM 1109 N ASP A 74 9.194 -7.685 -6.030 1.00 0.00 N ATOM 1110 CA ASP A 74 9.303 -7.166 -4.691 1.00 0.00 C ATOM 1111 C ASP A 74 8.050 -6.463 -4.247 1.00 0.00 C ATOM 1112 O ASP A 74 7.863 -6.225 -3.061 1.00 0.00 O ATOM 1113 CB ASP A 74 10.549 -6.289 -4.506 1.00 0.00 C ATOM 1114 CG ASP A 74 11.841 -7.082 -4.643 1.00 0.00 C ATOM 1115 OD1 ASP A 74 12.216 -7.793 -3.689 1.00 0.00 O ATOM 1116 OD2 ASP A 74 12.492 -7.019 -5.710 1.00 0.00 O ATOM 0 H ASP A 74 9.417 -7.017 -6.768 1.00 0.00 H new ATOM 0 HA ASP A 74 9.427 -8.029 -4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.538 -5.487 -5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.517 -5.819 -3.523 1.00 0.00 H new ATOM 1121 N VAL A 75 7.179 -6.127 -5.179 1.00 0.00 N ATOM 1122 CA VAL A 75 5.913 -5.516 -4.793 1.00 0.00 C ATOM 1123 C VAL A 75 4.997 -6.634 -4.339 1.00 0.00 C ATOM 1124 O VAL A 75 4.439 -7.375 -5.157 1.00 0.00 O ATOM 1125 CB VAL A 75 5.248 -4.705 -5.941 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.042 -3.947 -5.446 1.00 0.00 C ATOM 1127 CG2 VAL A 75 6.215 -3.740 -6.542 1.00 0.00 C ATOM 0 H VAL A 75 7.313 -6.260 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 75 6.099 -4.796 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 75 4.933 -5.422 -6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.599 -3.390 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.310 -4.649 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.345 -3.254 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.725 -3.185 -7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.559 -3.045 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.068 -4.284 -6.947 1.00 0.00 H new ATOM 1137 N SER A 76 4.869 -6.764 -3.045 1.00 0.00 N ATOM 1138 CA SER A 76 4.184 -7.862 -2.455 1.00 0.00 C ATOM 1139 C SER A 76 3.603 -7.426 -1.106 1.00 0.00 C ATOM 1140 O SER A 76 4.216 -6.600 -0.408 1.00 0.00 O ATOM 1141 CB SER A 76 5.210 -8.996 -2.273 1.00 0.00 C ATOM 1142 OG SER A 76 4.634 -10.178 -1.733 1.00 0.00 O ATOM 0 H SER A 76 5.245 -6.097 -2.371 1.00 0.00 H new ATOM 0 HA SER A 76 3.360 -8.205 -3.081 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.665 -9.226 -3.236 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.010 -8.654 -1.616 1.00 0.00 H new ATOM 0 HG SER A 76 5.326 -10.866 -1.639 1.00 0.00 H new ATOM 1148 N PRO A 77 2.422 -7.982 -0.717 1.00 0.00 N ATOM 1149 CA PRO A 77 1.715 -7.630 0.539 1.00 0.00 C ATOM 1150 C PRO A 77 2.333 -8.270 1.785 1.00 0.00 C ATOM 1151 O PRO A 77 1.633 -8.577 2.762 1.00 0.00 O ATOM 1152 CB PRO A 77 0.311 -8.188 0.300 1.00 0.00 C ATOM 1153 CG PRO A 77 0.529 -9.362 -0.576 1.00 0.00 C ATOM 1154 CD PRO A 77 1.673 -8.999 -1.483 1.00 0.00 C ATOM 0 HA PRO A 77 1.755 -6.559 0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.168 -8.474 1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.335 -7.450 -0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.764 -10.249 0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.368 -9.590 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.294 -9.866 -1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.319 -8.602 -2.434 1.00 0.00 H new ATOM 1162 N SER A 78 3.605 -8.417 1.767 1.00 0.00 N ATOM 1163 CA SER A 78 4.333 -8.983 2.838 1.00 0.00 C ATOM 1164 C SER A 78 5.723 -8.409 2.774 1.00 0.00 C ATOM 1165 O SER A 78 6.041 -7.696 1.843 1.00 0.00 O ATOM 1166 CB SER A 78 4.359 -10.517 2.702 1.00 0.00 C ATOM 1167 OG SER A 78 5.048 -11.142 3.776 1.00 0.00 O ATOM 0 H SER A 78 4.188 -8.137 0.978 1.00 0.00 H new ATOM 0 HA SER A 78 3.873 -8.751 3.799 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.337 -10.893 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.836 -10.788 1.760 1.00 0.00 H new ATOM 0 HG SER A 78 5.038 -12.114 3.650 1.00 0.00 H new ATOM 1173 N LEU A 79 6.515 -8.701 3.752 1.00 0.00 N ATOM 1174 CA LEU A 79 7.885 -8.256 3.825 1.00 0.00 C ATOM 1175 C LEU A 79 8.753 -9.410 4.228 1.00 0.00 C ATOM 1176 O LEU A 79 9.843 -9.235 4.757 1.00 0.00 O ATOM 1177 CB LEU A 79 8.073 -7.031 4.779 1.00 0.00 C ATOM 1178 CG LEU A 79 7.391 -7.074 6.159 1.00 0.00 C ATOM 1179 CD1 LEU A 79 7.994 -6.017 7.065 1.00 0.00 C ATOM 1180 CD2 LEU A 79 5.925 -6.750 5.994 1.00 0.00 C ATOM 0 H LEU A 79 6.228 -9.270 4.548 1.00 0.00 H new ATOM 0 HA LEU A 79 8.184 -7.904 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.142 -6.895 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.714 -6.144 4.257 1.00 0.00 H new ATOM 0 HG LEU A 79 7.529 -8.066 6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.507 -6.053 8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.061 -6.206 7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.848 -5.032 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.434 -6.778 6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.819 -5.755 5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.463 -7.483 5.333 1.00 0.00 H new ATOM 1192 N GLU A 80 8.269 -10.606 3.923 1.00 0.00 N ATOM 1193 CA GLU A 80 8.979 -11.824 4.225 1.00 0.00 C ATOM 1194 C GLU A 80 10.297 -11.860 3.511 1.00 0.00 C ATOM 1195 O GLU A 80 10.370 -11.767 2.274 1.00 0.00 O ATOM 1196 CB GLU A 80 8.167 -13.039 3.832 1.00 0.00 C ATOM 1197 CG GLU A 80 8.810 -14.367 4.183 1.00 0.00 C ATOM 1198 CD GLU A 80 8.970 -14.527 5.672 1.00 0.00 C ATOM 1199 OE1 GLU A 80 7.946 -14.733 6.361 1.00 0.00 O ATOM 1200 OE2 GLU A 80 10.108 -14.450 6.182 1.00 0.00 O ATOM 0 H GLU A 80 7.372 -10.751 3.459 1.00 0.00 H new ATOM 0 HA GLU A 80 9.150 -11.844 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.193 -12.982 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.989 -13.009 2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.201 -15.182 3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.785 -14.439 3.702 1.00 0.00 H new ATOM 1207 N GLY A 81 11.316 -11.961 4.271 1.00 0.00 N ATOM 1208 CA GLY A 81 12.609 -12.064 3.743 1.00 0.00 C ATOM 1209 C GLY A 81 13.422 -10.862 4.108 1.00 0.00 C ATOM 1210 O GLY A 81 14.640 -10.847 3.975 1.00 0.00 O ATOM 0 H GLY A 81 11.271 -11.974 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.092 -12.965 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.559 -12.160 2.658 1.00 0.00 H new ATOM 1214 N LEU A 82 12.737 -9.853 4.571 1.00 0.00 N ATOM 1215 CA LEU A 82 13.339 -8.628 4.979 1.00 0.00 C ATOM 1216 C LEU A 82 13.755 -8.685 6.411 1.00 0.00 C ATOM 1217 O LEU A 82 12.925 -8.817 7.315 1.00 0.00 O ATOM 1218 CB LEU A 82 12.400 -7.427 4.738 1.00 0.00 C ATOM 1219 CG LEU A 82 12.308 -6.886 3.299 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.913 -7.941 2.332 1.00 0.00 C ATOM 1221 CD2 LEU A 82 11.369 -5.704 3.216 1.00 0.00 C ATOM 0 H LEU A 82 11.722 -9.867 4.675 1.00 0.00 H new ATOM 0 HA LEU A 82 14.230 -8.486 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.397 -7.712 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.721 -6.611 5.386 1.00 0.00 H new ATOM 0 HG LEU A 82 13.307 -6.548 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.860 -7.515 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.651 -8.743 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.937 -8.341 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.326 -5.345 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.372 -6.008 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.731 -4.906 3.864 1.00 0.00 H new ATOM 1233 N THR A 83 15.031 -8.619 6.618 1.00 0.00 N ATOM 1234 CA THR A 83 15.564 -8.544 7.928 1.00 0.00 C ATOM 1235 C THR A 83 15.500 -7.072 8.376 1.00 0.00 C ATOM 1236 O THR A 83 14.974 -6.218 7.633 1.00 0.00 O ATOM 1237 CB THR A 83 17.017 -9.122 7.998 1.00 0.00 C ATOM 1238 OG1 THR A 83 17.530 -9.058 9.336 1.00 0.00 O ATOM 1239 CG2 THR A 83 17.952 -8.390 7.056 1.00 0.00 C ATOM 0 H THR A 83 15.731 -8.616 5.876 1.00 0.00 H new ATOM 0 HA THR A 83 14.975 -9.160 8.608 1.00 0.00 H new ATOM 0 HB THR A 83 16.963 -10.166 7.688 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.438 -9.426 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.952 -8.817 7.131 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.590 -8.491 6.033 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.988 -7.335 7.326 1.00 0.00 H new ATOM 1247 N GLU A 84 16.052 -6.779 9.525 1.00 0.00 N ATOM 1248 CA GLU A 84 15.926 -5.480 10.162 1.00 0.00 C ATOM 1249 C GLU A 84 16.305 -4.310 9.231 1.00 0.00 C ATOM 1250 O GLU A 84 15.566 -3.344 9.140 1.00 0.00 O ATOM 1251 CB GLU A 84 16.770 -5.452 11.418 1.00 0.00 C ATOM 1252 CG GLU A 84 16.621 -4.196 12.236 1.00 0.00 C ATOM 1253 CD GLU A 84 17.555 -4.187 13.400 1.00 0.00 C ATOM 1254 OE1 GLU A 84 17.267 -4.845 14.412 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.600 -3.528 13.321 1.00 0.00 O ATOM 0 H GLU A 84 16.613 -7.443 10.059 1.00 0.00 H new ATOM 0 HA GLU A 84 14.874 -5.341 10.413 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.507 -6.309 12.038 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.818 -5.569 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.813 -3.326 11.607 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.594 -4.112 12.592 1.00 0.00 H new ATOM 1262 N LYS A 85 17.419 -4.417 8.526 1.00 0.00 N ATOM 1263 CA LYS A 85 17.866 -3.342 7.616 1.00 0.00 C ATOM 1264 C LYS A 85 16.847 -3.070 6.514 1.00 0.00 C ATOM 1265 O LYS A 85 16.566 -1.921 6.195 1.00 0.00 O ATOM 1266 CB LYS A 85 19.177 -3.701 6.945 1.00 0.00 C ATOM 1267 CG LYS A 85 19.075 -4.994 6.199 1.00 0.00 C ATOM 1268 CD LYS A 85 20.235 -5.221 5.294 1.00 0.00 C ATOM 1269 CE LYS A 85 20.192 -6.587 4.654 1.00 0.00 C ATOM 1270 NZ LYS A 85 21.336 -6.801 3.755 1.00 0.00 N ATOM 0 H LYS A 85 18.037 -5.228 8.556 1.00 0.00 H new ATOM 0 HA LYS A 85 17.985 -2.454 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.465 -2.905 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.963 -3.774 7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.007 -5.817 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.155 -5.001 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.244 -4.456 4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.162 -5.114 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.190 -7.353 5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.263 -6.698 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.273 -7.750 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.323 -6.085 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.221 -6.720 4.294 1.00 0.00 H new ATOM 1284 N GLU A 86 16.278 -4.140 5.956 1.00 0.00 N ATOM 1285 CA GLU A 86 15.409 -4.030 4.866 1.00 0.00 C ATOM 1286 C GLU A 86 14.144 -3.422 5.330 1.00 0.00 C ATOM 1287 O GLU A 86 13.588 -2.538 4.688 1.00 0.00 O ATOM 1288 CB GLU A 86 15.142 -5.394 4.321 1.00 0.00 C ATOM 1289 CG GLU A 86 16.353 -6.152 3.795 1.00 0.00 C ATOM 1290 CD GLU A 86 17.023 -5.471 2.626 1.00 0.00 C ATOM 1291 OE1 GLU A 86 17.879 -4.585 2.845 1.00 0.00 O ATOM 1292 OE2 GLU A 86 16.726 -5.827 1.475 1.00 0.00 O ATOM 0 H GLU A 86 16.431 -5.096 6.276 1.00 0.00 H new ATOM 0 HA GLU A 86 15.851 -3.409 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.676 -5.992 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.415 -5.305 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.077 -6.270 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.044 -7.153 3.495 1.00 0.00 H new ATOM 1299 N ILE A 87 13.702 -3.878 6.474 1.00 0.00 N ATOM 1300 CA ILE A 87 12.521 -3.368 7.050 1.00 0.00 C ATOM 1301 C ILE A 87 12.698 -1.900 7.408 1.00 0.00 C ATOM 1302 O ILE A 87 11.786 -1.111 7.211 1.00 0.00 O ATOM 1303 CB ILE A 87 12.080 -4.158 8.282 1.00 0.00 C ATOM 1304 CG1 ILE A 87 11.822 -5.616 7.925 1.00 0.00 C ATOM 1305 CG2 ILE A 87 10.841 -3.541 8.831 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.325 -6.443 9.090 1.00 0.00 C ATOM 0 H ILE A 87 14.160 -4.610 7.017 1.00 0.00 H new ATOM 0 HA ILE A 87 11.734 -3.470 6.302 1.00 0.00 H new ATOM 0 HB ILE A 87 12.873 -4.129 9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.089 -5.660 7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.743 -6.057 7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.517 -4.097 9.711 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.042 -2.506 9.109 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.056 -3.568 8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.162 -7.470 8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.067 -6.429 9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.387 -6.026 9.458 1.00 0.00 H new ATOM 1318 N ASN A 88 13.899 -1.527 7.890 1.00 0.00 N ATOM 1319 CA ASN A 88 14.177 -0.111 8.239 1.00 0.00 C ATOM 1320 C ASN A 88 13.844 0.822 7.112 1.00 0.00 C ATOM 1321 O ASN A 88 13.295 1.909 7.329 1.00 0.00 O ATOM 1322 CB ASN A 88 15.617 0.123 8.661 1.00 0.00 C ATOM 1323 CG ASN A 88 15.853 -0.005 10.144 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.749 0.976 10.876 1.00 0.00 O ATOM 1325 ND2 ASN A 88 16.160 -1.173 10.607 1.00 0.00 N ATOM 0 H ASN A 88 14.679 -2.166 8.046 1.00 0.00 H new ATOM 0 HA ASN A 88 13.530 0.103 9.090 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.257 -0.589 8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.921 1.120 8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 88 16.323 -1.299 11.606 1.00 0.00 H new ATOM 0 HD22 ASN A 88 16.239 -1.968 9.973 1.00 0.00 H new ATOM 1332 N THR A 89 14.164 0.402 5.929 1.00 0.00 N ATOM 1333 CA THR A 89 13.881 1.145 4.746 1.00 0.00 C ATOM 1334 C THR A 89 12.352 1.363 4.562 1.00 0.00 C ATOM 1335 O THR A 89 11.901 2.482 4.315 1.00 0.00 O ATOM 1336 CB THR A 89 14.487 0.420 3.539 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.916 0.350 3.692 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.146 1.121 2.262 1.00 0.00 C ATOM 0 H THR A 89 14.638 -0.484 5.757 1.00 0.00 H new ATOM 0 HA THR A 89 14.331 2.134 4.834 1.00 0.00 H new ATOM 0 HB THR A 89 14.070 -0.586 3.494 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.305 -0.115 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.589 0.585 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.063 1.152 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.537 2.138 2.290 1.00 0.00 H new ATOM 1346 N LEU A 90 11.577 0.312 4.774 1.00 0.00 N ATOM 1347 CA LEU A 90 10.128 0.352 4.583 1.00 0.00 C ATOM 1348 C LEU A 90 9.516 1.137 5.691 1.00 0.00 C ATOM 1349 O LEU A 90 8.566 1.867 5.491 1.00 0.00 O ATOM 1350 CB LEU A 90 9.560 -1.068 4.553 1.00 0.00 C ATOM 1351 CG LEU A 90 8.240 -1.297 5.278 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.035 -0.904 4.466 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.152 -2.678 5.818 1.00 0.00 C ATOM 0 H LEU A 90 11.930 -0.594 5.083 1.00 0.00 H new ATOM 0 HA LEU A 90 9.895 0.829 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.430 -1.359 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.304 -1.740 4.981 1.00 0.00 H new ATOM 0 HG LEU A 90 8.231 -0.619 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.130 -1.094 5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.093 0.156 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.009 -1.490 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.198 -2.809 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.226 -3.394 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.967 -2.846 6.522 1.00 0.00 H new ATOM 1365 N ASN A 91 10.083 0.977 6.865 1.00 0.00 N ATOM 1366 CA ASN A 91 9.655 1.688 8.043 1.00 0.00 C ATOM 1367 C ASN A 91 9.691 3.184 7.802 1.00 0.00 C ATOM 1368 O ASN A 91 8.797 3.925 8.234 1.00 0.00 O ATOM 1369 CB ASN A 91 10.532 1.354 9.240 1.00 0.00 C ATOM 1370 CG ASN A 91 10.419 -0.063 9.789 1.00 0.00 C ATOM 1371 OD1 ASN A 91 11.383 -0.581 10.368 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.283 -0.707 9.621 1.00 0.00 N ATOM 0 H ASN A 91 10.864 0.341 7.028 1.00 0.00 H new ATOM 0 HA ASN A 91 8.633 1.376 8.259 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.571 1.531 8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.294 2.051 10.043 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.180 -1.659 9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.506 -0.254 9.140 1.00 0.00 H new ATOM 1379 N ASP A 92 10.713 3.625 7.093 1.00 0.00 N ATOM 1380 CA ASP A 92 10.854 5.024 6.745 1.00 0.00 C ATOM 1381 C ASP A 92 9.760 5.414 5.756 1.00 0.00 C ATOM 1382 O ASP A 92 9.145 6.462 5.881 1.00 0.00 O ATOM 1383 CB ASP A 92 12.235 5.291 6.166 1.00 0.00 C ATOM 1384 CG ASP A 92 12.474 6.748 5.875 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.858 7.486 6.802 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.297 7.171 4.726 1.00 0.00 O ATOM 0 H ASP A 92 11.463 3.028 6.745 1.00 0.00 H new ATOM 0 HA ASP A 92 10.748 5.633 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.992 4.936 6.865 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.356 4.717 5.247 1.00 0.00 H new ATOM 1391 N TRP A 93 9.494 4.523 4.812 1.00 0.00 N ATOM 1392 CA TRP A 93 8.431 4.697 3.828 1.00 0.00 C ATOM 1393 C TRP A 93 7.058 4.776 4.459 1.00 0.00 C ATOM 1394 O TRP A 93 6.240 5.607 4.062 1.00 0.00 O ATOM 1395 CB TRP A 93 8.489 3.617 2.773 1.00 0.00 C ATOM 1396 CG TRP A 93 9.575 3.818 1.757 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.746 3.143 1.664 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.581 4.774 0.682 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.482 3.607 0.607 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.789 4.606 -0.017 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.680 5.749 0.246 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.121 5.376 -1.129 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.009 6.512 -0.857 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.220 6.321 -1.534 1.00 0.00 C ATOM 0 H TRP A 93 10.013 3.651 4.705 1.00 0.00 H new ATOM 0 HA TRP A 93 8.604 5.658 3.344 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.635 2.653 3.261 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.528 3.572 2.260 1.00 0.00 H new ATOM 0 HD1 TRP A 93 11.055 2.351 2.330 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.401 3.262 0.330 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.744 5.903 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.055 5.232 -1.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.321 7.269 -1.203 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.447 6.933 -2.394 1.00 0.00 H new ATOM 1415 N GLU A 94 6.814 3.932 5.451 1.00 0.00 N ATOM 1416 CA GLU A 94 5.569 3.950 6.214 1.00 0.00 C ATOM 1417 C GLU A 94 5.310 5.350 6.718 1.00 0.00 C ATOM 1418 O GLU A 94 4.222 5.873 6.610 1.00 0.00 O ATOM 1419 CB GLU A 94 5.685 3.039 7.433 1.00 0.00 C ATOM 1420 CG GLU A 94 5.901 1.574 7.138 1.00 0.00 C ATOM 1421 CD GLU A 94 6.025 0.775 8.403 1.00 0.00 C ATOM 1422 OE1 GLU A 94 5.227 1.003 9.326 1.00 0.00 O ATOM 1423 OE2 GLU A 94 6.889 -0.105 8.496 1.00 0.00 O ATOM 0 H GLU A 94 7.473 3.214 5.752 1.00 0.00 H new ATOM 0 HA GLU A 94 4.762 3.611 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.511 3.392 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.777 3.141 8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.069 1.194 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.802 1.451 6.538 1.00 0.00 H new ATOM 1430 N THR A 95 6.362 5.943 7.188 1.00 0.00 N ATOM 1431 CA THR A 95 6.364 7.251 7.810 1.00 0.00 C ATOM 1432 C THR A 95 6.029 8.373 6.803 1.00 0.00 C ATOM 1433 O THR A 95 5.437 9.401 7.158 1.00 0.00 O ATOM 1434 CB THR A 95 7.767 7.493 8.377 1.00 0.00 C ATOM 1435 OG1 THR A 95 8.114 6.377 9.222 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.820 8.766 9.198 1.00 0.00 C ATOM 0 H THR A 95 7.289 5.519 7.152 1.00 0.00 H new ATOM 0 HA THR A 95 5.601 7.271 8.588 1.00 0.00 H new ATOM 0 HB THR A 95 8.467 7.594 7.548 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.475 5.650 8.672 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.829 8.907 9.585 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.550 9.615 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.119 8.692 10.030 1.00 0.00 H new ATOM 1444 N LYS A 96 6.376 8.151 5.560 1.00 0.00 N ATOM 1445 CA LYS A 96 6.232 9.149 4.532 1.00 0.00 C ATOM 1446 C LYS A 96 4.789 9.257 4.149 1.00 0.00 C ATOM 1447 O LYS A 96 4.230 10.339 4.014 1.00 0.00 O ATOM 1448 CB LYS A 96 7.122 8.778 3.355 1.00 0.00 C ATOM 1449 CG LYS A 96 8.587 8.645 3.766 1.00 0.00 C ATOM 1450 CD LYS A 96 9.162 9.967 4.236 1.00 0.00 C ATOM 1451 CE LYS A 96 10.618 9.825 4.642 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.195 11.110 5.084 1.00 0.00 N ATOM 0 H LYS A 96 6.768 7.268 5.232 1.00 0.00 H new ATOM 0 HA LYS A 96 6.548 10.129 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.780 7.837 2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.031 9.537 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.675 7.906 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.169 8.275 2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.075 10.707 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.582 10.338 5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.701 9.094 5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.193 9.439 3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.190 10.970 5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.140 11.801 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.662 11.466 5.903 1.00 0.00 H new ATOM 1466 N PHE A 97 4.188 8.121 4.027 1.00 0.00 N ATOM 1467 CA PHE A 97 2.801 8.008 3.730 1.00 0.00 C ATOM 1468 C PHE A 97 1.961 8.399 4.939 1.00 0.00 C ATOM 1469 O PHE A 97 0.971 9.103 4.811 1.00 0.00 O ATOM 1470 CB PHE A 97 2.494 6.586 3.324 1.00 0.00 C ATOM 1471 CG PHE A 97 3.002 6.175 1.962 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.357 6.000 1.718 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.113 5.950 0.926 1.00 0.00 C ATOM 1474 CE1 PHE A 97 4.810 5.613 0.473 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.563 5.557 -0.317 1.00 0.00 C ATOM 1476 CZ PHE A 97 3.912 5.388 -0.544 1.00 0.00 C ATOM 0 H PHE A 97 4.660 7.223 4.134 1.00 0.00 H new ATOM 0 HA PHE A 97 2.555 8.684 2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.919 5.914 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.413 6.445 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.067 6.169 2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.054 6.084 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.868 5.487 0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.856 5.381 -1.115 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.263 5.080 -1.518 1.00 0.00 H new ATOM 1486 N GLU A 98 2.411 7.970 6.105 1.00 0.00 N ATOM 1487 CA GLU A 98 1.730 8.167 7.397 1.00 0.00 C ATOM 1488 C GLU A 98 1.451 9.647 7.713 1.00 0.00 C ATOM 1489 O GLU A 98 0.576 9.958 8.509 1.00 0.00 O ATOM 1490 CB GLU A 98 2.602 7.563 8.504 1.00 0.00 C ATOM 1491 CG GLU A 98 1.909 6.546 9.394 1.00 0.00 C ATOM 1492 CD GLU A 98 0.776 7.132 10.196 1.00 0.00 C ATOM 1493 OE1 GLU A 98 1.031 7.633 11.316 1.00 0.00 O ATOM 1494 OE2 GLU A 98 -0.382 7.089 9.740 1.00 0.00 O ATOM 0 H GLU A 98 3.288 7.457 6.194 1.00 0.00 H new ATOM 0 HA GLU A 98 0.761 7.672 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.468 7.088 8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.978 8.372 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.526 5.734 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.640 6.111 10.075 1.00 0.00 H new ATOM 1501 N ALA A 99 2.172 10.548 7.090 1.00 0.00 N ATOM 1502 CA ALA A 99 2.016 11.948 7.407 1.00 0.00 C ATOM 1503 C ALA A 99 1.230 12.679 6.349 1.00 0.00 C ATOM 1504 O ALA A 99 0.923 13.857 6.499 1.00 0.00 O ATOM 1505 CB ALA A 99 3.364 12.595 7.587 1.00 0.00 C ATOM 0 H ALA A 99 2.864 10.342 6.370 1.00 0.00 H new ATOM 0 HA ALA A 99 1.456 12.012 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.232 13.650 7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.898 12.103 8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.939 12.500 6.666 1.00 0.00 H new ATOM 1511 N LYS A 100 0.910 11.998 5.273 1.00 0.00 N ATOM 1512 CA LYS A 100 0.203 12.632 4.189 1.00 0.00 C ATOM 1513 C LYS A 100 -1.102 11.930 3.893 1.00 0.00 C ATOM 1514 O LYS A 100 -2.126 12.564 3.638 1.00 0.00 O ATOM 1515 CB LYS A 100 1.059 12.704 2.901 1.00 0.00 C ATOM 1516 CG LYS A 100 2.226 13.705 2.884 1.00 0.00 C ATOM 1517 CD LYS A 100 3.359 13.345 3.826 1.00 0.00 C ATOM 1518 CE LYS A 100 4.472 14.362 3.722 1.00 0.00 C ATOM 1519 NZ LYS A 100 5.644 14.019 4.563 1.00 0.00 N ATOM 0 H LYS A 100 1.127 11.012 5.127 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.010 13.650 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.464 11.710 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.397 12.944 2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.618 13.773 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.848 14.693 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.990 13.304 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.740 12.353 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.788 14.443 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.093 15.340 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.376 14.750 4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.353 13.968 5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.027 13.098 4.267 1.00 0.00 H new ATOM 1533 N TYR A 101 -1.080 10.636 3.951 1.00 0.00 N ATOM 1534 CA TYR A 101 -2.213 9.861 3.570 1.00 0.00 C ATOM 1535 C TYR A 101 -2.802 9.175 4.780 1.00 0.00 C ATOM 1536 O TYR A 101 -2.077 8.567 5.567 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.794 8.842 2.518 1.00 0.00 C ATOM 1538 CG TYR A 101 -1.057 9.479 1.363 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.723 10.237 0.411 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.315 9.337 1.243 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -1.037 10.838 -0.622 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.008 9.927 0.214 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.332 10.680 -0.715 1.00 0.00 C ATOM 1544 OH TYR A 101 1.028 11.286 -1.738 1.00 0.00 O ATOM 0 H TYR A 101 -0.277 10.090 4.263 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.978 10.512 3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.158 8.087 2.980 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.678 8.327 2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.794 10.358 0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.852 8.750 1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.567 11.429 -1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.078 9.800 0.136 1.00 0.00 H new ATOM 0 HH TYR A 101 1.981 11.074 -1.656 1.00 0.00 H new ATOM 1554 N PRO A 102 -4.111 9.292 4.971 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.791 8.666 6.082 1.00 0.00 C ATOM 1556 C PRO A 102 -5.028 7.182 5.841 1.00 0.00 C ATOM 1557 O PRO A 102 -5.341 6.753 4.711 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.127 9.410 6.131 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.388 9.776 4.715 1.00 0.00 C ATOM 1560 CD PRO A 102 -5.041 10.064 4.116 1.00 0.00 C ATOM 0 HA PRO A 102 -4.215 8.723 7.006 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.920 8.780 6.533 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.069 10.293 6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.886 8.964 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.040 10.647 4.649 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.988 9.745 3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.813 11.130 4.135 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.855 6.402 6.878 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.158 4.995 6.820 1.00 0.00 C ATOM 1570 C VAL A 103 -6.657 4.860 6.848 1.00 0.00 C ATOM 1571 O VAL A 103 -7.302 5.136 7.868 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.544 4.200 7.999 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.894 2.719 7.897 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.044 4.377 8.036 1.00 0.00 C ATOM 0 H VAL A 103 -4.503 6.722 7.780 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.726 4.580 5.909 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.966 4.592 8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.452 2.182 8.736 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.977 2.599 7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.504 2.316 6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.631 3.811 8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.612 4.015 7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.805 5.433 8.160 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.207 4.487 5.743 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.640 4.421 5.608 1.00 0.00 C ATOM 1586 C VAL A 104 -9.158 3.003 5.663 1.00 0.00 C ATOM 1587 O VAL A 104 -10.332 2.767 5.424 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.124 5.117 4.320 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.774 6.595 4.363 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.509 4.465 3.089 1.00 0.00 C ATOM 0 H VAL A 104 -6.688 4.219 4.907 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.050 4.957 6.464 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.207 5.011 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.120 7.078 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.257 7.058 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.693 6.711 4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.865 4.973 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.423 4.540 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.799 3.415 3.051 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.299 2.066 5.978 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.736 0.709 6.088 1.00 0.00 C ATOM 1602 C GLY A 105 -7.605 -0.269 6.080 1.00 0.00 C ATOM 1603 O GLY A 105 -6.464 0.088 6.397 1.00 0.00 O ATOM 0 H GLY A 105 -7.307 2.220 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.306 0.590 7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.412 0.482 5.263 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.900 -1.481 5.696 1.00 0.00 N ATOM 1608 CA ARG A 106 -6.925 -2.547 5.710 1.00 0.00 C ATOM 1609 C ARG A 106 -6.980 -3.333 4.475 1.00 0.00 C ATOM 1610 O ARG A 106 -7.981 -3.315 3.752 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.195 -3.546 6.817 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.568 -4.175 6.781 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.616 -5.326 7.740 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.246 -4.934 9.109 1.00 0.00 N ATOM 1615 CZ ARG A 106 -8.192 -5.757 10.165 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -8.554 -7.030 10.048 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -7.796 -5.291 11.339 1.00 0.00 N ATOM 0 H ARG A 106 -8.823 -1.762 5.364 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.963 -2.052 5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.447 -4.337 6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.064 -3.047 7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.325 -3.436 7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.796 -4.519 5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.621 -5.749 7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.942 -6.110 7.395 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.011 -3.954 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.876 -7.388 9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.510 -7.649 10.857 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.534 -4.310 11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.753 -5.913 12.146 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.929 -4.032 4.231 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.950 -4.992 3.235 1.00 0.00 C ATOM 1633 C VAL A 107 -5.987 -6.344 3.921 1.00 0.00 C ATOM 1634 O VAL A 107 -5.312 -6.569 4.938 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.783 -4.914 2.226 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.469 -5.224 2.866 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -5.050 -5.853 1.096 1.00 0.00 C ATOM 0 H VAL A 107 -5.042 -3.940 4.726 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.833 -4.818 2.621 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.720 -3.892 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.677 -5.158 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.276 -4.509 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.495 -6.232 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.230 -5.803 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.135 -6.870 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.980 -5.573 0.602 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.797 -7.185 3.423 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.981 -8.479 3.944 1.00 0.00 C ATOM 1649 C VAL A 108 -6.618 -9.481 2.904 1.00 0.00 C ATOM 1650 O VAL A 108 -6.811 -9.253 1.700 1.00 0.00 O ATOM 1651 CB VAL A 108 -8.425 -8.670 4.444 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -8.648 -7.751 5.560 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -9.390 -8.275 3.409 1.00 0.00 C ATOM 0 H VAL A 108 -7.376 -6.986 2.607 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.329 -8.621 4.806 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.557 -9.717 4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.666 -7.869 5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.942 -7.973 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.502 -6.725 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.404 -8.418 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.242 -7.226 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.242 -8.888 2.520 1.00 0.00 H new ATOM 1663 N SER A 109 -6.055 -10.539 3.328 1.00 0.00 N ATOM 1664 CA SER A 109 -5.586 -11.520 2.443 1.00 0.00 C ATOM 1665 C SER A 109 -5.741 -12.891 3.099 1.00 0.00 C ATOM 1666 O SER A 109 -6.703 -13.608 2.765 1.00 0.00 O ATOM 1667 CB SER A 109 -4.118 -11.185 2.134 1.00 0.00 C ATOM 1668 OG SER A 109 -3.502 -12.119 1.272 1.00 0.00 O ATOM 1669 OXT SER A 109 -4.929 -13.229 4.008 1.00 0.00 O ATOM 0 H SER A 109 -5.905 -10.751 4.314 1.00 0.00 H new ATOM 0 HA SER A 109 -6.149 -11.542 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.066 -10.194 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.558 -11.139 3.068 1.00 0.00 H new ATOM 0 HG SER A 109 -2.573 -11.853 1.111 1.00 0.00 H new