USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 815 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 94 SER OG : rot -156:sc= 0.228 USER MOD Set 1.2: A 129 HIS : no HE2:sc= 0.0877 K(o=0.32,f=-0.97) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0638 USER MOD Single : A 12 SER OG : rot 180:sc= 0.071 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 15 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 1:sc= 1.1 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.221 K(o=0.22,f=-3.2!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.5!) USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0.497 (180deg=0.182) USER MOD Single : A 71 CYS SG : rot -108:sc= 0.416 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.501 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 1.17 K(o=1.2,f=-0.52) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0517 X(o=-0.052,f=-0.25) USER MOD Single : A 96 ASN : amide:sc= 0.986 K(o=0.99,f=-0.0071) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.235 F(o=-0.91,f=-0.24) USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.168) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.535 X(o=-0.53,f=-0.35) USER MOD Single : A 110 CYS SG : rot 20:sc= 0.544 USER MOD Single : A 114 MET CE :methyl 172:sc= -0.618 (180deg=-0.726) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= -0.492 K(o=-0.49,f=-1.9!) USER MOD Single : A 123 GLN : amide:sc= -0.197 K(o=-0.2,f=-3.2!) USER MOD Single : A 124 SER OG : rot 73:sc= 0.999 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 3.663 17.750 -4.433 1.00 0.00 N ATOM 110 CA TYR A 11 3.154 16.405 -4.183 1.00 0.00 C ATOM 111 C TYR A 11 2.851 16.167 -2.709 1.00 0.00 C ATOM 112 O TYR A 11 1.854 15.518 -2.422 1.00 0.00 O ATOM 113 CB TYR A 11 4.119 15.340 -4.715 1.00 0.00 C ATOM 114 CG TYR A 11 4.175 15.298 -6.226 1.00 0.00 C ATOM 115 CD1 TYR A 11 3.055 14.840 -6.940 1.00 0.00 C ATOM 116 CD2 TYR A 11 5.322 15.727 -6.919 1.00 0.00 C ATOM 117 CE1 TYR A 11 3.059 14.834 -8.342 1.00 0.00 C ATOM 118 CE2 TYR A 11 5.341 15.714 -8.324 1.00 0.00 C ATOM 119 CZ TYR A 11 4.195 15.297 -9.038 1.00 0.00 C ATOM 120 OH TYR A 11 4.125 15.446 -10.384 1.00 0.00 O ATOM 0 HA TYR A 11 2.212 16.320 -4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.118 15.535 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.815 14.362 -4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.185 14.490 -6.405 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.188 16.066 -6.371 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.197 14.477 -8.886 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.229 16.022 -8.857 1.00 0.00 H new ATOM 0 HH TYR A 11 4.985 15.773 -10.722 1.00 0.00 H new ATOM 130 N SER A 12 3.617 16.737 -1.772 1.00 0.00 N ATOM 131 CA SER A 12 3.399 16.495 -0.346 1.00 0.00 C ATOM 132 C SER A 12 2.008 16.926 0.137 1.00 0.00 C ATOM 133 O SER A 12 1.571 16.495 1.204 1.00 0.00 O ATOM 134 CB SER A 12 4.489 17.138 0.523 1.00 0.00 C ATOM 135 OG SER A 12 5.572 17.688 -0.231 1.00 0.00 O ATOM 0 H SER A 12 4.392 17.368 -1.978 1.00 0.00 H new ATOM 0 HA SER A 12 3.458 15.413 -0.228 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.041 17.926 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.880 16.390 1.213 1.00 0.00 H new ATOM 0 HG SER A 12 6.229 18.082 0.380 1.00 0.00 H new ATOM 141 N GLN A 13 1.310 17.762 -0.630 1.00 0.00 N ATOM 142 CA GLN A 13 -0.074 18.143 -0.405 1.00 0.00 C ATOM 143 C GLN A 13 -0.961 16.923 -0.656 1.00 0.00 C ATOM 144 O GLN A 13 -1.550 16.396 0.279 1.00 0.00 O ATOM 145 CB GLN A 13 -0.418 19.346 -1.298 1.00 0.00 C ATOM 146 CG GLN A 13 0.537 20.517 -1.019 1.00 0.00 C ATOM 147 CD GLN A 13 0.177 21.790 -1.777 1.00 0.00 C ATOM 148 OE1 GLN A 13 -0.992 22.107 -1.974 1.00 0.00 O ATOM 149 NE2 GLN A 13 1.149 22.573 -2.219 1.00 0.00 N ATOM 0 H GLN A 13 1.713 18.207 -1.455 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.244 18.460 0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.352 19.058 -2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.447 19.658 -1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.537 20.728 0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.551 20.220 -1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.123 22.316 -2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.924 23.433 -2.719 1.00 0.00 H new ATOM 158 N ARG A 14 -0.945 16.381 -1.877 1.00 0.00 N ATOM 159 CA ARG A 14 -1.585 15.118 -2.263 1.00 0.00 C ATOM 160 C ARG A 14 -1.141 13.911 -1.424 1.00 0.00 C ATOM 161 O ARG A 14 -1.728 12.836 -1.549 1.00 0.00 O ATOM 162 CB ARG A 14 -1.267 14.831 -3.739 1.00 0.00 C ATOM 163 CG ARG A 14 -2.089 15.637 -4.742 1.00 0.00 C ATOM 164 CD ARG A 14 -1.400 15.571 -6.107 1.00 0.00 C ATOM 165 NE ARG A 14 -2.343 15.717 -7.221 1.00 0.00 N ATOM 166 CZ ARG A 14 -2.523 16.800 -7.978 1.00 0.00 C ATOM 167 NH1 ARG A 14 -2.095 18.006 -7.623 1.00 0.00 N ATOM 168 NH2 ARG A 14 -3.127 16.639 -9.142 1.00 0.00 N ATOM 0 H ARG A 14 -0.465 16.829 -2.658 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.653 15.247 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.210 15.031 -3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.426 13.770 -3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.101 15.237 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.177 16.672 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.646 16.356 -6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.877 14.619 -6.201 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.921 14.906 -7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.605 18.133 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.256 18.805 -8.236 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.437 15.711 -9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.284 17.442 -9.751 1.00 0.00 H new ATOM 182 N GLN A 15 -0.093 14.035 -0.617 1.00 0.00 N ATOM 183 CA GLN A 15 0.300 13.028 0.352 1.00 0.00 C ATOM 184 C GLN A 15 -0.531 13.291 1.603 1.00 0.00 C ATOM 185 O GLN A 15 -1.461 12.544 1.892 1.00 0.00 O ATOM 186 CB GLN A 15 1.825 13.058 0.596 1.00 0.00 C ATOM 187 CG GLN A 15 2.564 12.565 -0.660 1.00 0.00 C ATOM 188 CD GLN A 15 4.086 12.566 -0.537 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.688 13.427 0.102 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.742 11.635 -1.213 1.00 0.00 N ATOM 0 H GLN A 15 0.515 14.854 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 15 0.104 12.016 -0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.143 14.071 0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.078 12.428 1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.231 11.553 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.279 13.193 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.227 10.928 -1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.762 11.625 -1.209 1.00 0.00 H new ATOM 199 N ASP A 16 -0.246 14.394 2.289 1.00 0.00 N ATOM 200 CA ASP A 16 -0.786 14.754 3.597 1.00 0.00 C ATOM 201 C ASP A 16 -2.308 14.815 3.612 1.00 0.00 C ATOM 202 O ASP A 16 -2.946 14.309 4.533 1.00 0.00 O ATOM 203 CB ASP A 16 -0.233 16.140 3.959 1.00 0.00 C ATOM 204 CG ASP A 16 -0.445 16.532 5.413 1.00 0.00 C ATOM 205 OD1 ASP A 16 -0.372 15.655 6.298 1.00 0.00 O ATOM 206 OD2 ASP A 16 -0.582 17.747 5.673 1.00 0.00 O ATOM 0 H ASP A 16 0.400 15.097 1.930 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.490 13.987 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.834 16.162 3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.705 16.886 3.320 1.00 0.00 H new ATOM 211 N HIS A 17 -2.899 15.434 2.588 1.00 0.00 N ATOM 212 CA HIS A 17 -4.340 15.587 2.455 1.00 0.00 C ATOM 213 C HIS A 17 -4.999 14.211 2.339 1.00 0.00 C ATOM 214 O HIS A 17 -6.126 14.031 2.802 1.00 0.00 O ATOM 215 CB HIS A 17 -4.656 16.464 1.225 1.00 0.00 C ATOM 216 CG HIS A 17 -5.805 17.431 1.423 1.00 0.00 C ATOM 217 ND1 HIS A 17 -5.776 18.766 1.087 1.00 0.00 N ATOM 218 CD2 HIS A 17 -7.035 17.168 1.973 1.00 0.00 C ATOM 219 CE1 HIS A 17 -6.965 19.297 1.408 1.00 0.00 C ATOM 220 NE2 HIS A 17 -7.757 18.373 1.983 1.00 0.00 N ATOM 0 H HIS A 17 -2.376 15.849 1.817 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.742 16.081 3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.763 17.030 0.959 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.886 15.814 0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.383 16.211 2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.248 20.324 1.230 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.696 18.519 2.353 1.00 0.00 H new ATOM 228 N GLU A 18 -4.296 13.237 1.747 1.00 0.00 N ATOM 229 CA GLU A 18 -4.834 11.908 1.548 1.00 0.00 C ATOM 230 C GLU A 18 -4.661 11.096 2.819 1.00 0.00 C ATOM 231 O GLU A 18 -5.535 10.309 3.127 1.00 0.00 O ATOM 232 CB GLU A 18 -4.142 11.188 0.382 1.00 0.00 C ATOM 233 CG GLU A 18 -5.145 10.332 -0.408 1.00 0.00 C ATOM 234 CD GLU A 18 -6.006 11.201 -1.323 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.414 11.941 -2.140 1.00 0.00 O ATOM 236 OE2 GLU A 18 -7.254 11.154 -1.220 1.00 0.00 O ATOM 0 H GLU A 18 -3.345 13.358 1.398 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.892 12.005 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.682 11.921 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.340 10.556 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.608 9.593 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.783 9.782 0.284 1.00 0.00 H new ATOM 243 N LEU A 19 -3.573 11.273 3.574 1.00 0.00 N ATOM 244 CA LEU A 19 -3.355 10.561 4.838 1.00 0.00 C ATOM 245 C LEU A 19 -4.507 10.871 5.786 1.00 0.00 C ATOM 246 O LEU A 19 -5.160 9.964 6.286 1.00 0.00 O ATOM 247 CB LEU A 19 -1.997 10.950 5.452 1.00 0.00 C ATOM 248 CG LEU A 19 -0.801 10.546 4.575 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.508 11.172 5.046 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.592 9.053 4.412 1.00 0.00 C ATOM 0 H LEU A 19 -2.818 11.913 3.327 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.329 9.487 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.974 12.028 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.899 10.478 6.430 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.077 10.941 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.320 10.854 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.423 12.258 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.718 10.852 6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.275 8.874 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.425 8.600 5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.476 8.610 3.953 1.00 0.00 H new ATOM 262 N GLN A 20 -4.817 12.156 5.934 1.00 0.00 N ATOM 263 CA GLN A 20 -5.937 12.643 6.723 1.00 0.00 C ATOM 264 C GLN A 20 -7.279 12.139 6.181 1.00 0.00 C ATOM 265 O GLN A 20 -8.214 11.898 6.946 1.00 0.00 O ATOM 266 CB GLN A 20 -5.897 14.170 6.681 1.00 0.00 C ATOM 267 CG GLN A 20 -4.670 14.749 7.402 1.00 0.00 C ATOM 268 CD GLN A 20 -4.523 16.233 7.094 1.00 0.00 C ATOM 269 OE1 GLN A 20 -4.994 17.099 7.825 1.00 0.00 O ATOM 270 NE2 GLN A 20 -3.886 16.575 5.990 1.00 0.00 N ATOM 0 H GLN A 20 -4.280 12.904 5.496 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.849 12.272 7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.893 14.501 5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.803 14.566 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.770 14.603 8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.772 14.216 7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.495 15.855 5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.785 17.560 5.744 1.00 0.00 H new ATOM 279 N ALA A 21 -7.387 11.981 4.859 1.00 0.00 N ATOM 280 CA ALA A 21 -8.554 11.375 4.239 1.00 0.00 C ATOM 281 C ALA A 21 -8.649 9.900 4.638 1.00 0.00 C ATOM 282 O ALA A 21 -9.700 9.469 5.094 1.00 0.00 O ATOM 283 CB ALA A 21 -8.534 11.548 2.713 1.00 0.00 C ATOM 0 H ALA A 21 -6.668 12.270 4.196 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.445 11.888 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.421 11.083 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.525 12.610 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.641 11.074 2.305 1.00 0.00 H new ATOM 289 N LEU A 22 -7.578 9.122 4.470 1.00 0.00 N ATOM 290 CA LEU A 22 -7.483 7.679 4.709 1.00 0.00 C ATOM 291 C LEU A 22 -7.760 7.375 6.182 1.00 0.00 C ATOM 292 O LEU A 22 -8.331 6.332 6.499 1.00 0.00 O ATOM 293 CB LEU A 22 -6.092 7.159 4.268 1.00 0.00 C ATOM 294 CG LEU A 22 -5.874 7.227 2.735 1.00 0.00 C ATOM 295 CD1 LEU A 22 -4.397 7.436 2.377 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.359 5.955 2.039 1.00 0.00 C ATOM 0 H LEU A 22 -6.693 9.509 4.141 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.235 7.160 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.318 7.744 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.975 6.127 4.600 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.457 8.080 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.288 7.478 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.046 8.371 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.807 6.608 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.189 6.040 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.810 5.097 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.424 5.820 2.229 1.00 0.00 H new ATOM 308 N GLU A 23 -7.446 8.314 7.074 1.00 0.00 N ATOM 309 CA GLU A 23 -7.723 8.250 8.497 1.00 0.00 C ATOM 310 C GLU A 23 -9.237 8.248 8.748 1.00 0.00 C ATOM 311 O GLU A 23 -9.690 7.830 9.805 1.00 0.00 O ATOM 312 CB GLU A 23 -7.044 9.459 9.167 1.00 0.00 C ATOM 313 CG GLU A 23 -6.835 9.241 10.667 1.00 0.00 C ATOM 314 CD GLU A 23 -6.289 10.466 11.413 1.00 0.00 C ATOM 315 OE1 GLU A 23 -5.860 11.466 10.791 1.00 0.00 O ATOM 316 OE2 GLU A 23 -6.294 10.432 12.671 1.00 0.00 O ATOM 0 H GLU A 23 -6.971 9.176 6.806 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.328 7.328 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.082 9.644 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.654 10.349 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.785 8.950 11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.147 8.407 10.809 1.00 0.00 H new ATOM 323 N ALA A 24 -10.041 8.694 7.778 1.00 0.00 N ATOM 324 CA ALA A 24 -11.483 8.708 7.840 1.00 0.00 C ATOM 325 C ALA A 24 -12.046 7.434 7.204 1.00 0.00 C ATOM 326 O ALA A 24 -12.852 6.763 7.834 1.00 0.00 O ATOM 327 CB ALA A 24 -11.992 9.964 7.139 1.00 0.00 C ATOM 0 H ALA A 24 -9.679 9.067 6.900 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.819 8.729 8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.081 9.987 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.592 10.847 7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.667 9.957 6.099 1.00 0.00 H new ATOM 333 N ILE A 25 -11.619 7.081 5.974 1.00 0.00 N ATOM 334 CA ILE A 25 -12.126 5.912 5.259 1.00 0.00 C ATOM 335 C ILE A 25 -11.948 4.653 6.100 1.00 0.00 C ATOM 336 O ILE A 25 -12.842 3.802 6.163 1.00 0.00 O ATOM 337 CB ILE A 25 -11.404 5.767 3.900 1.00 0.00 C ATOM 338 CG1 ILE A 25 -11.863 6.814 2.883 1.00 0.00 C ATOM 339 CG2 ILE A 25 -11.683 4.444 3.202 1.00 0.00 C ATOM 340 CD1 ILE A 25 -11.167 8.118 3.033 1.00 0.00 C ATOM 0 H ILE A 25 -10.913 7.604 5.456 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.191 6.049 5.074 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.353 5.868 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.693 6.432 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.937 6.968 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.144 4.412 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.352 3.621 3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.753 4.350 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.537 8.817 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.357 8.520 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.095 7.976 2.898 1.00 0.00 H new ATOM 352 N TYR A 26 -10.767 4.543 6.697 1.00 0.00 N ATOM 353 CA TYR A 26 -10.372 3.423 7.525 1.00 0.00 C ATOM 354 C TYR A 26 -10.629 3.752 8.991 1.00 0.00 C ATOM 355 O TYR A 26 -11.489 3.136 9.617 1.00 0.00 O ATOM 356 CB TYR A 26 -8.916 3.050 7.234 1.00 0.00 C ATOM 357 CG TYR A 26 -8.702 2.580 5.807 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.153 1.305 5.420 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.063 3.407 4.862 1.00 0.00 C ATOM 360 CE1 TYR A 26 -8.946 0.841 4.110 1.00 0.00 C ATOM 361 CE2 TYR A 26 -7.869 2.953 3.547 1.00 0.00 C ATOM 362 CZ TYR A 26 -8.308 1.669 3.166 1.00 0.00 C ATOM 363 OH TYR A 26 -8.101 1.228 1.900 1.00 0.00 O ATOM 0 H TYR A 26 -10.041 5.254 6.612 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.972 2.544 7.290 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.279 3.914 7.426 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.603 2.264 7.921 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.663 0.677 6.136 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.722 4.391 5.149 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.275 -0.148 3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.381 3.591 2.825 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.650 1.926 1.380 1.00 0.00 H new ATOM 373 N GLY A 27 -9.884 4.703 9.557 1.00 0.00 N ATOM 374 CA GLY A 27 -9.994 5.070 10.968 1.00 0.00 C ATOM 375 C GLY A 27 -9.550 3.985 11.948 1.00 0.00 C ATOM 376 O GLY A 27 -9.670 4.183 13.156 1.00 0.00 O ATOM 0 H GLY A 27 -9.185 5.242 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.397 5.965 11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.031 5.331 11.181 1.00 0.00 H new ATOM 380 N SER A 28 -9.068 2.832 11.479 1.00 0.00 N ATOM 381 CA SER A 28 -8.532 1.751 12.305 1.00 0.00 C ATOM 382 C SER A 28 -7.618 0.820 11.496 1.00 0.00 C ATOM 383 O SER A 28 -6.732 0.193 12.071 1.00 0.00 O ATOM 384 CB SER A 28 -9.697 0.960 12.916 1.00 0.00 C ATOM 385 OG SER A 28 -10.380 1.726 13.896 1.00 0.00 O ATOM 0 H SER A 28 -9.040 2.620 10.482 1.00 0.00 H new ATOM 0 HA SER A 28 -7.926 2.188 13.098 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.393 0.667 12.130 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.320 0.042 13.366 1.00 0.00 H new ATOM 0 HG SER A 28 -9.963 2.610 13.970 1.00 0.00 H new ATOM 391 N ASP A 29 -7.791 0.703 10.171 1.00 0.00 N ATOM 392 CA ASP A 29 -6.877 -0.122 9.367 1.00 0.00 C ATOM 393 C ASP A 29 -5.577 0.655 9.089 1.00 0.00 C ATOM 394 O ASP A 29 -4.520 0.048 8.918 1.00 0.00 O ATOM 395 CB ASP A 29 -7.471 -0.563 8.013 1.00 0.00 C ATOM 396 CG ASP A 29 -8.783 -1.374 8.007 1.00 0.00 C ATOM 397 OD1 ASP A 29 -9.475 -1.440 9.045 1.00 0.00 O ATOM 398 OD2 ASP A 29 -9.205 -1.840 6.927 1.00 0.00 O ATOM 0 H ASP A 29 -8.537 1.157 9.643 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.690 -1.020 9.956 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.635 0.334 7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.715 -1.155 7.498 1.00 0.00 H new ATOM 403 N PHE A 30 -5.645 1.989 8.979 1.00 0.00 N ATOM 404 CA PHE A 30 -4.525 2.897 8.692 1.00 0.00 C ATOM 405 C PHE A 30 -3.711 3.124 9.963 1.00 0.00 C ATOM 406 O PHE A 30 -4.276 3.198 11.051 1.00 0.00 O ATOM 407 CB PHE A 30 -5.105 4.237 8.188 1.00 0.00 C ATOM 408 CG PHE A 30 -4.095 5.333 7.871 1.00 0.00 C ATOM 409 CD1 PHE A 30 -3.211 5.181 6.786 1.00 0.00 C ATOM 410 CD2 PHE A 30 -4.052 6.520 8.634 1.00 0.00 C ATOM 411 CE1 PHE A 30 -2.313 6.211 6.451 1.00 0.00 C ATOM 412 CE2 PHE A 30 -3.156 7.552 8.291 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.315 7.419 7.173 1.00 0.00 C ATOM 0 H PHE A 30 -6.526 2.489 9.093 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.872 2.466 7.933 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.690 4.040 7.289 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.796 4.616 8.941 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.222 4.269 6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.708 6.638 9.484 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.618 6.074 5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.115 8.450 8.890 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.676 8.236 6.871 1.00 0.00 H new ATOM 423 N GLN A 31 -2.397 3.279 9.821 1.00 0.00 N ATOM 424 CA GLN A 31 -1.473 3.668 10.847 1.00 0.00 C ATOM 425 C GLN A 31 -0.406 4.530 10.183 1.00 0.00 C ATOM 426 O GLN A 31 0.226 4.090 9.215 1.00 0.00 O ATOM 427 CB GLN A 31 -0.887 2.383 11.438 1.00 0.00 C ATOM 428 CG GLN A 31 0.057 2.658 12.596 1.00 0.00 C ATOM 429 CD GLN A 31 0.204 1.438 13.503 1.00 0.00 C ATOM 430 OE1 GLN A 31 -0.212 1.447 14.657 1.00 0.00 O ATOM 431 NE2 GLN A 31 0.821 0.359 13.047 1.00 0.00 N ATOM 0 H GLN A 31 -1.935 3.123 8.925 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.934 4.241 11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.698 1.740 11.779 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.354 1.838 10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.035 2.944 12.209 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.315 3.502 13.177 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.172 0.338 12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.946 -0.452 13.653 1.00 0.00 H new ATOM 440 N ASP A 32 -0.196 5.735 10.704 1.00 0.00 N ATOM 441 CA ASP A 32 0.967 6.577 10.428 1.00 0.00 C ATOM 442 C ASP A 32 2.192 5.999 11.133 1.00 0.00 C ATOM 443 O ASP A 32 2.068 5.441 12.232 1.00 0.00 O ATOM 444 CB ASP A 32 0.707 8.023 10.886 1.00 0.00 C ATOM 445 CG ASP A 32 1.342 8.394 12.245 1.00 0.00 C ATOM 446 OD1 ASP A 32 2.566 8.663 12.324 1.00 0.00 O ATOM 447 OD2 ASP A 32 0.615 8.447 13.265 1.00 0.00 O ATOM 0 H ASP A 32 -0.853 6.169 11.353 1.00 0.00 H new ATOM 0 HA ASP A 32 1.151 6.594 9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.087 8.705 10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.370 8.182 10.948 1.00 0.00 H new ATOM 452 N LEU A 33 3.371 6.097 10.502 1.00 0.00 N ATOM 453 CA LEU A 33 4.595 5.518 11.034 1.00 0.00 C ATOM 454 C LEU A 33 5.596 6.614 11.346 1.00 0.00 C ATOM 455 O LEU A 33 6.294 6.531 12.358 1.00 0.00 O ATOM 456 CB LEU A 33 5.210 4.402 10.180 1.00 0.00 C ATOM 457 CG LEU A 33 4.272 3.191 10.230 1.00 0.00 C ATOM 458 CD1 LEU A 33 3.225 3.273 9.217 1.00 0.00 C ATOM 459 CD2 LEU A 33 4.933 1.844 9.984 1.00 0.00 C ATOM 0 H LEU A 33 3.494 6.580 9.612 1.00 0.00 H new ATOM 0 HA LEU A 33 4.312 5.012 11.957 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.342 4.739 9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.197 4.134 10.557 1.00 0.00 H new ATOM 0 HG LEU A 33 3.894 3.236 11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.582 2.396 9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.631 4.172 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.679 3.313 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.183 1.055 10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.391 1.839 8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.700 1.671 10.739 1.00 0.00 H new ATOM 641 N PRO A 44 10.025 10.203 2.955 1.00 0.00 N ATOM 642 CA PRO A 44 8.913 9.478 2.350 1.00 0.00 C ATOM 643 C PRO A 44 7.881 9.063 3.429 1.00 0.00 C ATOM 644 O PRO A 44 8.253 8.296 4.324 1.00 0.00 O ATOM 645 CB PRO A 44 9.615 8.300 1.662 1.00 0.00 C ATOM 646 CG PRO A 44 10.791 7.962 2.575 1.00 0.00 C ATOM 647 CD PRO A 44 11.155 9.320 3.166 1.00 0.00 C ATOM 0 HA PRO A 44 8.320 10.055 1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.943 7.449 1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.955 8.571 0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.511 7.246 3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.622 7.525 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.377 9.229 4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.049 9.720 2.687 1.00 0.00 H new ATOM 655 N PRO A 45 6.622 9.556 3.386 1.00 0.00 N ATOM 656 CA PRO A 45 5.603 9.297 4.402 1.00 0.00 C ATOM 657 C PRO A 45 5.230 7.810 4.427 1.00 0.00 C ATOM 658 O PRO A 45 4.541 7.295 3.543 1.00 0.00 O ATOM 659 CB PRO A 45 4.426 10.218 4.075 1.00 0.00 C ATOM 660 CG PRO A 45 4.549 10.460 2.578 1.00 0.00 C ATOM 661 CD PRO A 45 6.050 10.355 2.312 1.00 0.00 C ATOM 0 HA PRO A 45 5.959 9.512 5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.473 9.752 4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.482 11.151 4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.989 9.720 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.161 11.439 2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.238 9.890 1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.506 11.345 2.284 1.00 0.00 H new ATOM 669 N GLU A 46 5.732 7.107 5.441 1.00 0.00 N ATOM 670 CA GLU A 46 5.619 5.665 5.585 1.00 0.00 C ATOM 671 C GLU A 46 4.337 5.354 6.379 1.00 0.00 C ATOM 672 O GLU A 46 4.116 5.928 7.448 1.00 0.00 O ATOM 673 CB GLU A 46 6.936 5.135 6.203 1.00 0.00 C ATOM 674 CG GLU A 46 7.211 3.640 5.951 1.00 0.00 C ATOM 675 CD GLU A 46 8.677 3.289 5.662 1.00 0.00 C ATOM 676 OE1 GLU A 46 9.548 3.523 6.533 1.00 0.00 O ATOM 677 OE2 GLU A 46 8.970 2.706 4.592 1.00 0.00 O ATOM 0 H GLU A 46 6.244 7.544 6.207 1.00 0.00 H new ATOM 0 HA GLU A 46 5.507 5.143 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.768 5.716 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.912 5.310 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.883 3.074 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.602 3.311 5.109 1.00 0.00 H new ATOM 684 N ILE A 47 3.483 4.457 5.867 1.00 0.00 N ATOM 685 CA ILE A 47 2.170 4.086 6.427 1.00 0.00 C ATOM 686 C ILE A 47 1.996 2.576 6.351 1.00 0.00 C ATOM 687 O ILE A 47 2.560 1.910 5.468 1.00 0.00 O ATOM 688 CB ILE A 47 0.985 4.742 5.694 1.00 0.00 C ATOM 689 CG1 ILE A 47 0.681 4.093 4.317 1.00 0.00 C ATOM 690 CG2 ILE A 47 1.217 6.254 5.568 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.473 3.084 4.353 1.00 0.00 C ATOM 0 H ILE A 47 3.696 3.945 5.011 1.00 0.00 H new ATOM 0 HA ILE A 47 2.163 4.444 7.457 1.00 0.00 H new ATOM 0 HB ILE A 47 0.095 4.569 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.443 4.878 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.579 3.592 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.374 6.709 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.310 6.692 6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.132 6.436 5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.627 2.672 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.230 2.278 5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.383 3.584 4.684 1.00 0.00 H new ATOM 703 N ASN A 48 1.185 2.045 7.250 1.00 0.00 N ATOM 704 CA ASN A 48 0.817 0.651 7.304 1.00 0.00 C ATOM 705 C ASN A 48 -0.701 0.573 7.247 1.00 0.00 C ATOM 706 O ASN A 48 -1.362 1.132 8.121 1.00 0.00 O ATOM 707 CB ASN A 48 1.366 0.102 8.623 1.00 0.00 C ATOM 708 CG ASN A 48 0.918 -1.309 8.904 1.00 0.00 C ATOM 709 OD1 ASN A 48 1.620 -2.223 8.509 1.00 0.00 O ATOM 710 ND2 ASN A 48 -0.174 -1.517 9.619 1.00 0.00 N ATOM 0 H ASN A 48 0.751 2.599 7.988 1.00 0.00 H new ATOM 0 HA ASN A 48 1.221 0.067 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.455 0.134 8.598 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.047 0.749 9.440 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.454 -2.468 9.858 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.737 -0.726 9.932 1.00 0.00 H new ATOM 717 N LEU A 49 -1.248 -0.059 6.209 1.00 0.00 N ATOM 718 CA LEU A 49 -2.667 -0.352 6.087 1.00 0.00 C ATOM 719 C LEU A 49 -2.854 -1.846 6.267 1.00 0.00 C ATOM 720 O LEU A 49 -2.050 -2.621 5.758 1.00 0.00 O ATOM 721 CB LEU A 49 -3.216 0.108 4.723 1.00 0.00 C ATOM 722 CG LEU A 49 -4.064 1.378 4.871 1.00 0.00 C ATOM 723 CD1 LEU A 49 -4.345 2.033 3.520 1.00 0.00 C ATOM 724 CD2 LEU A 49 -5.398 1.058 5.539 1.00 0.00 C ATOM 0 H LEU A 49 -0.700 -0.387 5.414 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.223 0.191 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.389 0.297 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.819 -0.687 4.283 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.490 2.069 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.948 2.929 3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.403 2.305 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.885 1.334 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.985 1.971 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.945 0.337 4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.218 0.637 6.528 1.00 0.00 H new ATOM 736 N VAL A 50 -3.910 -2.244 6.963 1.00 0.00 N ATOM 737 CA VAL A 50 -4.271 -3.630 7.230 1.00 0.00 C ATOM 738 C VAL A 50 -5.440 -3.959 6.309 1.00 0.00 C ATOM 739 O VAL A 50 -6.330 -3.126 6.168 1.00 0.00 O ATOM 740 CB VAL A 50 -4.708 -3.745 8.703 1.00 0.00 C ATOM 741 CG1 VAL A 50 -5.013 -5.199 9.064 1.00 0.00 C ATOM 742 CG2 VAL A 50 -3.634 -3.242 9.678 1.00 0.00 C ATOM 0 H VAL A 50 -4.567 -1.581 7.375 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.440 -4.314 7.056 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.597 -3.122 8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.320 -5.258 10.108 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.817 -5.571 8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.120 -5.806 8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.994 -3.346 10.701 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.724 -3.829 9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.420 -2.193 9.474 1.00 0.00 H new ATOM 752 N LEU A 51 -5.479 -5.138 5.682 1.00 0.00 N ATOM 753 CA LEU A 51 -6.596 -5.509 4.814 1.00 0.00 C ATOM 754 C LEU A 51 -6.958 -6.969 5.052 1.00 0.00 C ATOM 755 O LEU A 51 -6.066 -7.797 5.267 1.00 0.00 O ATOM 756 CB LEU A 51 -6.225 -5.254 3.344 1.00 0.00 C ATOM 757 CG LEU A 51 -5.913 -3.773 3.043 1.00 0.00 C ATOM 758 CD1 LEU A 51 -5.241 -3.657 1.686 1.00 0.00 C ATOM 759 CD2 LEU A 51 -7.153 -2.870 3.063 1.00 0.00 C ATOM 0 H LEU A 51 -4.752 -5.849 5.760 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.467 -4.897 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.358 -5.861 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.046 -5.582 2.707 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.253 -3.430 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.022 -2.610 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.313 -4.228 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.905 -4.050 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.859 -1.844 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.865 -3.212 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.617 -2.912 4.048 1.00 0.00 H new ATOM 771 N TYR A 52 -8.257 -7.271 4.996 1.00 0.00 N ATOM 772 CA TYR A 52 -8.837 -8.586 5.255 1.00 0.00 C ATOM 773 C TYR A 52 -9.805 -8.949 4.100 1.00 0.00 C ATOM 774 O TYR A 52 -10.171 -8.062 3.323 1.00 0.00 O ATOM 775 CB TYR A 52 -9.531 -8.570 6.631 1.00 0.00 C ATOM 776 CG TYR A 52 -8.676 -8.153 7.820 1.00 0.00 C ATOM 777 CD1 TYR A 52 -7.871 -9.102 8.474 1.00 0.00 C ATOM 778 CD2 TYR A 52 -8.747 -6.845 8.336 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.183 -8.784 9.654 1.00 0.00 C ATOM 780 CE2 TYR A 52 -8.074 -6.513 9.526 1.00 0.00 C ATOM 781 CZ TYR A 52 -7.301 -7.488 10.200 1.00 0.00 C ATOM 782 OH TYR A 52 -6.671 -7.188 11.369 1.00 0.00 O ATOM 0 H TYR A 52 -8.962 -6.573 4.758 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.066 -9.356 5.289 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.386 -7.897 6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -9.923 -9.568 6.827 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.781 -10.095 8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.321 -6.093 7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.567 -9.526 10.141 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.147 -5.512 9.926 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.852 -6.255 11.608 1.00 0.00 H new ATOM 792 N PRO A 53 -10.181 -10.232 3.925 1.00 0.00 N ATOM 793 CA PRO A 53 -11.119 -10.697 2.909 1.00 0.00 C ATOM 794 C PRO A 53 -12.563 -10.397 3.341 1.00 0.00 C ATOM 795 O PRO A 53 -12.880 -10.421 4.533 1.00 0.00 O ATOM 796 CB PRO A 53 -10.832 -12.200 2.778 1.00 0.00 C ATOM 797 CG PRO A 53 -10.177 -12.631 4.073 1.00 0.00 C ATOM 798 CD PRO A 53 -9.787 -11.336 4.772 1.00 0.00 C ATOM 0 HA PRO A 53 -11.001 -10.196 1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.753 -12.757 2.606 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.178 -12.397 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.862 -13.218 4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.304 -13.255 3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.278 -11.265 5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.713 -11.311 4.955 1.00 0.00 H new ATOM 896 N VAL A 61 -10.381 -14.719 10.180 1.00 0.00 N ATOM 897 CA VAL A 61 -9.675 -14.603 8.908 1.00 0.00 C ATOM 898 C VAL A 61 -8.625 -15.735 8.808 1.00 0.00 C ATOM 899 O VAL A 61 -8.496 -16.612 9.669 1.00 0.00 O ATOM 900 CB VAL A 61 -9.158 -13.136 8.791 1.00 0.00 C ATOM 901 CG1 VAL A 61 -8.666 -12.832 7.383 1.00 0.00 C ATOM 902 CG2 VAL A 61 -10.232 -12.071 9.090 1.00 0.00 C ATOM 0 HA VAL A 61 -10.305 -14.758 8.032 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.361 -13.079 9.533 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.313 -11.802 7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.849 -13.508 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.483 -12.968 6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.797 -11.077 8.988 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.058 -12.179 8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.602 -12.203 10.107 1.00 0.00 H new ATOM 912 N TYR A 62 -7.982 -15.811 7.647 1.00 0.00 N ATOM 913 CA TYR A 62 -7.149 -16.915 7.176 1.00 0.00 C ATOM 914 C TYR A 62 -5.959 -16.325 6.431 1.00 0.00 C ATOM 915 O TYR A 62 -4.815 -16.720 6.637 1.00 0.00 O ATOM 916 CB TYR A 62 -7.920 -17.765 6.168 1.00 0.00 C ATOM 917 CG TYR A 62 -8.871 -18.804 6.721 1.00 0.00 C ATOM 918 CD1 TYR A 62 -10.030 -18.434 7.425 1.00 0.00 C ATOM 919 CD2 TYR A 62 -8.600 -20.164 6.489 1.00 0.00 C ATOM 920 CE1 TYR A 62 -10.899 -19.417 7.927 1.00 0.00 C ATOM 921 CE2 TYR A 62 -9.485 -21.150 6.948 1.00 0.00 C ATOM 922 CZ TYR A 62 -10.625 -20.782 7.691 1.00 0.00 C ATOM 923 OH TYR A 62 -11.414 -21.755 8.204 1.00 0.00 O ATOM 0 H TYR A 62 -8.031 -15.054 6.965 1.00 0.00 H new ATOM 0 HA TYR A 62 -6.846 -17.521 8.030 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.490 -17.093 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.196 -18.275 5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.254 -17.389 7.581 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.706 -20.451 5.955 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -11.774 -19.130 8.492 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -9.293 -22.191 6.732 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.069 -22.632 7.934 1.00 0.00 H new ATOM 933 N VAL A 63 -6.267 -15.376 5.545 1.00 0.00 N ATOM 934 CA VAL A 63 -5.362 -14.591 4.742 1.00 0.00 C ATOM 935 C VAL A 63 -5.673 -13.136 5.066 1.00 0.00 C ATOM 936 O VAL A 63 -6.825 -12.712 5.062 1.00 0.00 O ATOM 937 CB VAL A 63 -5.527 -14.907 3.240 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.000 -16.304 2.898 1.00 0.00 C ATOM 939 CG2 VAL A 63 -6.977 -14.802 2.758 1.00 0.00 C ATOM 0 H VAL A 63 -7.239 -15.126 5.365 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.321 -14.820 4.968 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.938 -14.149 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.132 -16.492 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.941 -16.365 3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.551 -17.051 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.025 -15.036 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.597 -15.507 3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.343 -13.789 2.923 1.00 0.00 H new ATOM 949 N GLN A 64 -4.629 -12.377 5.321 1.00 0.00 N ATOM 950 CA GLN A 64 -4.598 -10.939 5.536 1.00 0.00 C ATOM 951 C GLN A 64 -3.160 -10.540 5.250 1.00 0.00 C ATOM 952 O GLN A 64 -2.254 -11.384 5.316 1.00 0.00 O ATOM 953 CB GLN A 64 -5.074 -10.535 6.952 1.00 0.00 C ATOM 954 CG GLN A 64 -4.179 -10.866 8.160 1.00 0.00 C ATOM 955 CD GLN A 64 -3.195 -9.764 8.579 1.00 0.00 C ATOM 956 OE1 GLN A 64 -1.988 -9.961 8.623 1.00 0.00 O ATOM 957 NE2 GLN A 64 -3.657 -8.589 8.966 1.00 0.00 N ATOM 0 H GLN A 64 -3.696 -12.783 5.390 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.295 -10.414 4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.239 -9.458 6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.043 -11.005 7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.819 -11.099 9.011 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.611 -11.768 7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.659 -8.401 8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.012 -7.870 9.292 1.00 0.00 H new ATOM 966 N VAL A 65 -2.925 -9.292 4.884 1.00 0.00 N ATOM 967 CA VAL A 65 -1.576 -8.766 4.812 1.00 0.00 C ATOM 968 C VAL A 65 -1.657 -7.292 5.171 1.00 0.00 C ATOM 969 O VAL A 65 -2.728 -6.680 5.085 1.00 0.00 O ATOM 970 CB VAL A 65 -0.936 -9.091 3.435 1.00 0.00 C ATOM 971 CG1 VAL A 65 -1.201 -8.121 2.277 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.581 -9.208 3.524 1.00 0.00 C ATOM 0 H VAL A 65 -3.653 -8.624 4.632 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.899 -9.238 5.524 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.439 -10.029 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.692 -8.476 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.273 -8.065 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.827 -7.131 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.987 -9.436 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.998 -8.266 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.844 -10.006 4.218 1.00 0.00 H new ATOM 982 N GLU A 66 -0.529 -6.735 5.589 1.00 0.00 N ATOM 983 CA GLU A 66 -0.383 -5.301 5.711 1.00 0.00 C ATOM 984 C GLU A 66 0.286 -4.809 4.438 1.00 0.00 C ATOM 985 O GLU A 66 1.253 -5.415 3.974 1.00 0.00 O ATOM 986 CB GLU A 66 0.456 -4.965 6.936 1.00 0.00 C ATOM 987 CG GLU A 66 -0.382 -5.115 8.207 1.00 0.00 C ATOM 988 CD GLU A 66 0.435 -4.961 9.490 1.00 0.00 C ATOM 989 OE1 GLU A 66 1.619 -5.380 9.511 1.00 0.00 O ATOM 990 OE2 GLU A 66 -0.144 -4.470 10.493 1.00 0.00 O ATOM 0 H GLU A 66 0.303 -7.265 5.850 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.351 -4.815 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.323 -5.623 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.834 -3.945 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.178 -4.370 8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.861 -6.094 8.205 1.00 0.00 H new ATOM 997 N LEU A 67 -0.237 -3.717 3.891 1.00 0.00 N ATOM 998 CA LEU A 67 0.325 -2.965 2.799 1.00 0.00 C ATOM 999 C LEU A 67 1.169 -1.871 3.448 1.00 0.00 C ATOM 1000 O LEU A 67 0.666 -1.052 4.222 1.00 0.00 O ATOM 1001 CB LEU A 67 -0.821 -2.442 1.909 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.398 -1.259 1.010 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -0.750 -1.400 -0.475 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.090 0.024 1.466 1.00 0.00 C ATOM 0 H LEU A 67 -1.115 -3.319 4.224 1.00 0.00 H new ATOM 0 HA LEU A 67 0.961 -3.550 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.186 -3.255 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.652 -2.131 2.542 1.00 0.00 H new ATOM 0 HG LEU A 67 0.687 -1.239 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.409 -0.517 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.261 -2.285 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.830 -1.499 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.784 0.850 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.171 -0.103 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.810 0.242 2.497 1.00 0.00 H new ATOM 1016 N ARG A 68 2.462 -1.888 3.147 1.00 0.00 N ATOM 1017 CA ARG A 68 3.453 -0.934 3.604 1.00 0.00 C ATOM 1018 C ARG A 68 3.793 -0.084 2.386 1.00 0.00 C ATOM 1019 O ARG A 68 4.303 -0.603 1.387 1.00 0.00 O ATOM 1020 CB ARG A 68 4.669 -1.705 4.146 1.00 0.00 C ATOM 1021 CG ARG A 68 5.459 -0.991 5.236 1.00 0.00 C ATOM 1022 CD ARG A 68 4.778 -1.062 6.607 1.00 0.00 C ATOM 1023 NE ARG A 68 5.641 -0.475 7.639 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.512 -1.083 8.446 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.595 -2.409 8.456 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.307 -0.359 9.226 1.00 0.00 N ATOM 0 H ARG A 68 2.864 -2.607 2.546 1.00 0.00 H new ATOM 0 HA ARG A 68 3.102 -0.295 4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.326 -2.663 4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.341 -1.921 3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.453 -1.432 5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.593 0.054 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.826 -0.532 6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.556 -2.100 6.857 1.00 0.00 H new ATOM 0 HE ARG A 68 5.564 0.535 7.755 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.993 -2.962 7.847 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.261 -2.874 9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.251 0.659 9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.974 -0.821 9.844 1.00 0.00 H new ATOM 1040 N VAL A 69 3.522 1.212 2.442 1.00 0.00 N ATOM 1041 CA VAL A 69 3.843 2.157 1.371 1.00 0.00 C ATOM 1042 C VAL A 69 4.709 3.247 1.987 1.00 0.00 C ATOM 1043 O VAL A 69 4.544 3.574 3.168 1.00 0.00 O ATOM 1044 CB VAL A 69 2.530 2.679 0.742 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.685 3.929 -0.135 1.00 0.00 C ATOM 1046 CG2 VAL A 69 1.927 1.575 -0.134 1.00 0.00 C ATOM 0 H VAL A 69 3.066 1.648 3.243 1.00 0.00 H new ATOM 0 HA VAL A 69 4.402 1.700 0.554 1.00 0.00 H new ATOM 0 HB VAL A 69 1.894 2.957 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.712 4.219 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.091 4.745 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.363 3.712 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.000 1.932 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.633 1.309 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.719 0.698 0.478 1.00 0.00 H new ATOM 1056 N LYS A 70 5.635 3.798 1.191 1.00 0.00 N ATOM 1057 CA LYS A 70 6.470 4.924 1.607 1.00 0.00 C ATOM 1058 C LYS A 70 6.214 6.213 0.814 1.00 0.00 C ATOM 1059 O LYS A 70 6.664 7.253 1.259 1.00 0.00 O ATOM 1060 CB LYS A 70 7.948 4.495 1.615 1.00 0.00 C ATOM 1061 CG LYS A 70 8.421 3.965 0.254 1.00 0.00 C ATOM 1062 CD LYS A 70 9.944 3.867 0.112 1.00 0.00 C ATOM 1063 CE LYS A 70 10.567 5.232 -0.188 1.00 0.00 C ATOM 1064 NZ LYS A 70 10.204 5.759 -1.523 1.00 0.00 N ATOM 0 H LYS A 70 5.823 3.474 0.242 1.00 0.00 H new ATOM 0 HA LYS A 70 6.185 5.191 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.567 5.345 1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.094 3.723 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.988 2.978 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.035 4.616 -0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.371 3.465 1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.192 3.169 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.251 5.944 0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.652 5.152 -0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.600 6.713 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.588 5.133 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.168 5.801 -1.610 1.00 0.00 H new ATOM 1078 N CYS A 71 5.516 6.172 -0.327 1.00 0.00 N ATOM 1079 CA CYS A 71 5.248 7.284 -1.248 1.00 0.00 C ATOM 1080 C CYS A 71 6.484 8.149 -1.591 1.00 0.00 C ATOM 1081 O CYS A 71 6.836 9.057 -0.837 1.00 0.00 O ATOM 1082 CB CYS A 71 4.106 8.157 -0.720 1.00 0.00 C ATOM 1083 SG CYS A 71 2.503 7.351 -0.984 1.00 0.00 S ATOM 0 H CYS A 71 5.095 5.302 -0.654 1.00 0.00 H new ATOM 0 HA CYS A 71 4.953 6.818 -2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.251 8.349 0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.119 9.124 -1.223 1.00 0.00 H new ATOM 0 HG CYS A 71 1.859 7.965 -1.932 1.00 0.00 H new ATOM 1089 N PRO A 72 7.132 7.953 -2.755 1.00 0.00 N ATOM 1090 CA PRO A 72 8.254 8.790 -3.162 1.00 0.00 C ATOM 1091 C PRO A 72 7.812 10.254 -3.289 1.00 0.00 C ATOM 1092 O PRO A 72 6.623 10.533 -3.466 1.00 0.00 O ATOM 1093 CB PRO A 72 8.746 8.235 -4.503 1.00 0.00 C ATOM 1094 CG PRO A 72 7.535 7.504 -5.061 1.00 0.00 C ATOM 1095 CD PRO A 72 6.736 7.071 -3.834 1.00 0.00 C ATOM 0 HA PRO A 72 9.056 8.771 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.074 9.033 -5.170 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.593 7.562 -4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.945 8.154 -5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.834 6.644 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.665 7.145 -4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.945 6.031 -3.582 1.00 0.00 H new ATOM 1103 N PRO A 73 8.754 11.208 -3.295 1.00 0.00 N ATOM 1104 CA PRO A 73 8.452 12.639 -3.325 1.00 0.00 C ATOM 1105 C PRO A 73 7.914 13.127 -4.687 1.00 0.00 C ATOM 1106 O PRO A 73 7.843 14.334 -4.922 1.00 0.00 O ATOM 1107 CB PRO A 73 9.764 13.317 -2.913 1.00 0.00 C ATOM 1108 CG PRO A 73 10.834 12.355 -3.423 1.00 0.00 C ATOM 1109 CD PRO A 73 10.192 10.982 -3.251 1.00 0.00 C ATOM 0 HA PRO A 73 7.636 12.890 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.864 14.305 -3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.825 13.451 -1.833 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.087 12.552 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.757 12.441 -2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.505 10.302 -4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.488 10.528 -2.305 1.00 0.00 H new ATOM 1117 N THR A 74 7.543 12.214 -5.585 1.00 0.00 N ATOM 1118 CA THR A 74 6.940 12.474 -6.883 1.00 0.00 C ATOM 1119 C THR A 74 5.635 11.679 -7.059 1.00 0.00 C ATOM 1120 O THR A 74 4.971 11.796 -8.085 1.00 0.00 O ATOM 1121 CB THR A 74 7.960 12.137 -7.978 1.00 0.00 C ATOM 1122 OG1 THR A 74 8.380 10.794 -7.845 1.00 0.00 O ATOM 1123 CG2 THR A 74 9.224 12.993 -7.897 1.00 0.00 C ATOM 0 H THR A 74 7.664 11.216 -5.411 1.00 0.00 H new ATOM 0 HA THR A 74 6.674 13.528 -6.957 1.00 0.00 H new ATOM 0 HB THR A 74 7.455 12.325 -8.925 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.030 10.583 -8.548 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.908 12.709 -8.697 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.959 14.045 -8.003 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.708 12.837 -6.933 1.00 0.00 H new ATOM 1131 N TYR A 75 5.232 10.857 -6.084 1.00 0.00 N ATOM 1132 CA TYR A 75 3.970 10.124 -6.133 1.00 0.00 C ATOM 1133 C TYR A 75 2.816 11.132 -6.286 1.00 0.00 C ATOM 1134 O TYR A 75 2.828 12.130 -5.564 1.00 0.00 O ATOM 1135 CB TYR A 75 3.859 9.272 -4.851 1.00 0.00 C ATOM 1136 CG TYR A 75 2.462 8.800 -4.539 1.00 0.00 C ATOM 1137 CD1 TYR A 75 1.948 7.634 -5.134 1.00 0.00 C ATOM 1138 CD2 TYR A 75 1.651 9.589 -3.713 1.00 0.00 C ATOM 1139 CE1 TYR A 75 0.594 7.291 -4.964 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.291 9.283 -3.585 1.00 0.00 C ATOM 1141 CZ TYR A 75 -0.255 8.159 -4.233 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.595 7.952 -4.155 1.00 0.00 O ATOM 0 H TYR A 75 5.776 10.683 -5.239 1.00 0.00 H new ATOM 0 HA TYR A 75 3.922 9.449 -6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.510 8.403 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.230 9.855 -4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.594 7.000 -5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.072 10.428 -3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.206 6.376 -5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.345 9.915 -2.983 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.003 8.655 -3.607 1.00 0.00 H new ATOM 1152 N PRO A 76 1.781 10.908 -7.125 1.00 0.00 N ATOM 1153 CA PRO A 76 1.500 9.729 -7.951 1.00 0.00 C ATOM 1154 C PRO A 76 2.053 9.800 -9.393 1.00 0.00 C ATOM 1155 O PRO A 76 1.686 8.958 -10.216 1.00 0.00 O ATOM 1156 CB PRO A 76 -0.033 9.674 -7.970 1.00 0.00 C ATOM 1157 CG PRO A 76 -0.408 11.149 -8.085 1.00 0.00 C ATOM 1158 CD PRO A 76 0.625 11.804 -7.170 1.00 0.00 C ATOM 0 HA PRO A 76 1.988 8.847 -7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.409 9.092 -8.811 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.435 9.221 -7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.334 11.511 -9.110 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.428 11.339 -7.752 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.911 12.785 -7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.215 11.956 -6.172 1.00 0.00 H new ATOM 1166 N ASP A 77 2.902 10.783 -9.728 1.00 0.00 N ATOM 1167 CA ASP A 77 3.455 10.934 -11.080 1.00 0.00 C ATOM 1168 C ASP A 77 4.326 9.746 -11.482 1.00 0.00 C ATOM 1169 O ASP A 77 4.401 9.407 -12.663 1.00 0.00 O ATOM 1170 CB ASP A 77 4.269 12.226 -11.212 1.00 0.00 C ATOM 1171 CG ASP A 77 4.864 12.408 -12.609 1.00 0.00 C ATOM 1172 OD1 ASP A 77 4.128 12.281 -13.623 1.00 0.00 O ATOM 1173 OD2 ASP A 77 6.075 12.706 -12.728 1.00 0.00 O ATOM 0 H ASP A 77 3.223 11.493 -9.070 1.00 0.00 H new ATOM 0 HA ASP A 77 2.600 10.979 -11.754 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.631 13.078 -10.980 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.074 12.221 -10.477 1.00 0.00 H new ATOM 1178 N VAL A 78 4.932 9.071 -10.506 1.00 0.00 N ATOM 1179 CA VAL A 78 5.477 7.734 -10.677 1.00 0.00 C ATOM 1180 C VAL A 78 4.662 6.777 -9.828 1.00 0.00 C ATOM 1181 O VAL A 78 3.805 7.159 -9.024 1.00 0.00 O ATOM 1182 CB VAL A 78 6.993 7.726 -10.391 1.00 0.00 C ATOM 1183 CG1 VAL A 78 7.369 7.884 -8.910 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.743 6.532 -10.986 1.00 0.00 C ATOM 0 H VAL A 78 5.057 9.445 -9.566 1.00 0.00 H new ATOM 0 HA VAL A 78 5.393 7.395 -11.709 1.00 0.00 H new ATOM 0 HB VAL A 78 7.324 8.624 -10.912 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.454 7.867 -8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.984 8.833 -8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.937 7.065 -8.335 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.802 6.606 -10.737 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.338 5.607 -10.576 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.625 6.531 -12.070 1.00 0.00 H new ATOM 1194 N VAL A 79 4.980 5.509 -9.980 1.00 0.00 N ATOM 1195 CA VAL A 79 4.376 4.427 -9.215 1.00 0.00 C ATOM 1196 C VAL A 79 5.053 4.305 -7.841 1.00 0.00 C ATOM 1197 O VAL A 79 6.273 4.468 -7.745 1.00 0.00 O ATOM 1198 CB VAL A 79 4.419 3.117 -10.008 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.377 3.162 -11.122 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.766 2.822 -10.675 1.00 0.00 C ATOM 0 H VAL A 79 5.679 5.190 -10.651 1.00 0.00 H new ATOM 0 HA VAL A 79 3.325 4.655 -9.038 1.00 0.00 H new ATOM 0 HB VAL A 79 4.228 2.334 -9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.407 2.230 -11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.386 3.291 -10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.593 3.997 -11.789 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.706 1.877 -11.214 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.009 3.623 -11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.543 2.756 -9.913 1.00 0.00 H new ATOM 1210 N PRO A 80 4.293 4.125 -6.747 1.00 0.00 N ATOM 1211 CA PRO A 80 4.851 3.961 -5.413 1.00 0.00 C ATOM 1212 C PRO A 80 5.414 2.549 -5.246 1.00 0.00 C ATOM 1213 O PRO A 80 4.932 1.601 -5.870 1.00 0.00 O ATOM 1214 CB PRO A 80 3.699 4.234 -4.437 1.00 0.00 C ATOM 1215 CG PRO A 80 2.422 4.016 -5.250 1.00 0.00 C ATOM 1216 CD PRO A 80 2.845 4.138 -6.709 1.00 0.00 C ATOM 0 HA PRO A 80 5.679 4.645 -5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.740 3.560 -3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.747 5.250 -4.045 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.990 3.036 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.664 4.758 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.439 3.314 -7.296 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.459 5.060 -7.144 1.00 0.00 H new ATOM 1224 N GLU A 81 6.405 2.411 -4.366 1.00 0.00 N ATOM 1225 CA GLU A 81 6.858 1.135 -3.828 1.00 0.00 C ATOM 1226 C GLU A 81 5.695 0.456 -3.123 1.00 0.00 C ATOM 1227 O GLU A 81 4.932 1.123 -2.413 1.00 0.00 O ATOM 1228 CB GLU A 81 7.969 1.344 -2.783 1.00 0.00 C ATOM 1229 CG GLU A 81 9.249 1.961 -3.366 1.00 0.00 C ATOM 1230 CD GLU A 81 9.239 3.495 -3.373 1.00 0.00 C ATOM 1231 OE1 GLU A 81 8.208 4.113 -3.001 1.00 0.00 O ATOM 1232 OE2 GLU A 81 10.317 4.076 -3.626 1.00 0.00 O ATOM 0 H GLU A 81 6.927 3.207 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 81 7.236 0.532 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.593 1.989 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.213 0.385 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.106 1.614 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.384 1.602 -4.386 1.00 0.00 H new ATOM 1239 N ILE A 82 5.632 -0.867 -3.245 1.00 0.00 N ATOM 1240 CA ILE A 82 4.630 -1.715 -2.632 1.00 0.00 C ATOM 1241 C ILE A 82 5.395 -2.824 -1.916 1.00 0.00 C ATOM 1242 O ILE A 82 6.191 -3.550 -2.519 1.00 0.00 O ATOM 1243 CB ILE A 82 3.676 -2.244 -3.721 1.00 0.00 C ATOM 1244 CG1 ILE A 82 2.789 -1.123 -4.319 1.00 0.00 C ATOM 1245 CG2 ILE A 82 2.770 -3.366 -3.191 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.502 -1.358 -5.805 1.00 0.00 C ATOM 0 H ILE A 82 6.309 -1.393 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 82 4.004 -1.187 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 82 4.318 -2.641 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.848 -1.072 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.285 -0.160 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.113 -3.711 -3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.385 -4.196 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.169 -2.988 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.877 -0.551 -6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.441 -1.383 -6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.983 -2.308 -5.929 1.00 0.00 H new ATOM 1258 N ASP A 83 5.132 -2.970 -0.624 1.00 0.00 N ATOM 1259 CA ASP A 83 5.642 -4.032 0.225 1.00 0.00 C ATOM 1260 C ASP A 83 4.427 -4.595 0.943 1.00 0.00 C ATOM 1261 O ASP A 83 3.603 -3.826 1.437 1.00 0.00 O ATOM 1262 CB ASP A 83 6.609 -3.470 1.271 1.00 0.00 C ATOM 1263 CG ASP A 83 8.029 -3.205 0.803 1.00 0.00 C ATOM 1264 OD1 ASP A 83 8.584 -4.012 0.027 1.00 0.00 O ATOM 1265 OD2 ASP A 83 8.638 -2.239 1.320 1.00 0.00 O ATOM 0 H ASP A 83 4.530 -2.320 -0.119 1.00 0.00 H new ATOM 0 HA ASP A 83 6.176 -4.780 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.195 -2.537 1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.649 -4.167 2.108 1.00 0.00 H new ATOM 1270 N LEU A 84 4.312 -5.920 1.016 1.00 0.00 N ATOM 1271 CA LEU A 84 3.252 -6.616 1.734 1.00 0.00 C ATOM 1272 C LEU A 84 3.965 -7.370 2.853 1.00 0.00 C ATOM 1273 O LEU A 84 4.861 -8.168 2.570 1.00 0.00 O ATOM 1274 CB LEU A 84 2.439 -7.550 0.808 1.00 0.00 C ATOM 1275 CG LEU A 84 1.396 -6.942 -0.158 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.602 -5.473 -0.513 1.00 0.00 C ATOM 1277 CD2 LEU A 84 1.351 -7.775 -1.446 1.00 0.00 C ATOM 0 H LEU A 84 4.972 -6.553 0.565 1.00 0.00 H new ATOM 0 HA LEU A 84 2.508 -5.926 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.151 -8.115 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.918 -8.267 1.443 1.00 0.00 H new ATOM 0 HG LEU A 84 0.451 -6.975 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.816 -5.150 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.565 -4.871 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.573 -5.347 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.616 -7.349 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.333 -7.768 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.071 -8.801 -1.206 1.00 0.00 H new ATOM 1289 N LYS A 85 3.638 -7.067 4.111 1.00 0.00 N ATOM 1290 CA LYS A 85 4.251 -7.673 5.307 1.00 0.00 C ATOM 1291 C LYS A 85 3.201 -8.421 6.126 1.00 0.00 C ATOM 1292 O LYS A 85 2.002 -8.218 5.954 1.00 0.00 O ATOM 1293 CB LYS A 85 4.876 -6.607 6.226 1.00 0.00 C ATOM 1294 CG LYS A 85 6.081 -5.813 5.700 1.00 0.00 C ATOM 1295 CD LYS A 85 7.376 -6.644 5.670 1.00 0.00 C ATOM 1296 CE LYS A 85 8.595 -5.741 5.926 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.866 -6.409 5.578 1.00 0.00 N ATOM 0 H LYS A 85 2.922 -6.377 4.338 1.00 0.00 H new ATOM 0 HA LYS A 85 5.024 -8.353 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.095 -5.893 6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.179 -7.100 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.862 -5.453 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.233 -4.934 6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.331 -7.428 6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.477 -7.138 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.496 -4.825 5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.615 -5.449 6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.660 -5.764 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.975 -7.269 6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.859 -6.664 4.570 1.00 0.00 H new ATOM 1311 N ASN A 86 3.654 -9.226 7.089 1.00 0.00 N ATOM 1312 CA ASN A 86 2.843 -9.940 8.075 1.00 0.00 C ATOM 1313 C ASN A 86 1.808 -10.883 7.463 1.00 0.00 C ATOM 1314 O ASN A 86 0.840 -11.219 8.138 1.00 0.00 O ATOM 1315 CB ASN A 86 2.224 -8.975 9.118 1.00 0.00 C ATOM 1316 CG ASN A 86 3.203 -8.598 10.211 1.00 0.00 C ATOM 1317 OD1 ASN A 86 3.866 -9.476 10.777 1.00 0.00 O ATOM 1318 ND2 ASN A 86 3.316 -7.321 10.525 1.00 0.00 N ATOM 0 H ASN A 86 4.651 -9.407 7.208 1.00 0.00 H new ATOM 0 HA ASN A 86 3.535 -10.594 8.607 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.881 -8.071 8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.347 -9.443 9.565 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.966 -7.031 11.255 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.753 -6.624 10.037 1.00 0.00 H new ATOM 1325 N ALA A 87 1.985 -11.355 6.222 1.00 0.00 N ATOM 1326 CA ALA A 87 0.934 -12.128 5.572 1.00 0.00 C ATOM 1327 C ALA A 87 0.560 -13.358 6.394 1.00 0.00 C ATOM 1328 O ALA A 87 1.430 -14.062 6.920 1.00 0.00 O ATOM 1329 CB ALA A 87 1.309 -12.538 4.148 1.00 0.00 C ATOM 0 H ALA A 87 2.827 -11.217 5.664 1.00 0.00 H new ATOM 0 HA ALA A 87 0.065 -11.473 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.493 -13.111 3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.490 -11.646 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.211 -13.149 4.171 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.737 -13.639 6.464 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.304 -14.884 6.975 1.00 0.00 C ATOM 1337 C LYS A 88 -1.755 -15.721 5.792 1.00 0.00 C ATOM 1338 O LYS A 88 -1.923 -15.182 4.690 1.00 0.00 O ATOM 1339 CB LYS A 88 -2.500 -14.588 7.889 1.00 0.00 C ATOM 1340 CG LYS A 88 -2.176 -14.382 9.367 1.00 0.00 C ATOM 1341 CD LYS A 88 -1.629 -12.985 9.670 1.00 0.00 C ATOM 1342 CE LYS A 88 -0.209 -13.013 10.208 1.00 0.00 C ATOM 1343 NZ LYS A 88 -0.118 -13.493 11.603 1.00 0.00 N ATOM 0 H LYS A 88 -1.451 -12.980 6.154 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.555 -15.422 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.002 -13.694 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.210 -15.411 7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.077 -14.549 9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.446 -15.128 9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.657 -12.384 8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.278 -12.495 10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.400 -13.654 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.214 -12.010 10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.876 -13.487 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.673 -12.869 12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.493 -14.461 11.662 1.00 0.00 H new ATOM 1357 N GLY A 89 -1.903 -17.023 6.015 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.320 -18.043 5.067 1.00 0.00 C ATOM 1359 C GLY A 89 -1.158 -18.326 4.123 1.00 0.00 C ATOM 1360 O GLY A 89 -0.549 -19.395 4.140 1.00 0.00 O ATOM 0 H GLY A 89 -1.719 -17.420 6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.612 -18.952 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.191 -17.706 4.506 1.00 0.00 H new ATOM 1364 N LEU A 90 -0.823 -17.311 3.339 1.00 0.00 N ATOM 1365 CA LEU A 90 0.188 -17.286 2.301 1.00 0.00 C ATOM 1366 C LEU A 90 1.592 -17.254 2.902 1.00 0.00 C ATOM 1367 O LEU A 90 2.505 -17.812 2.313 1.00 0.00 O ATOM 1368 CB LEU A 90 0.010 -16.008 1.462 1.00 0.00 C ATOM 1369 CG LEU A 90 -1.436 -15.667 1.047 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -1.466 -14.230 0.533 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -1.983 -16.672 0.033 1.00 0.00 C ATOM 0 H LEU A 90 -1.294 -16.410 3.423 1.00 0.00 H new ATOM 0 HA LEU A 90 0.074 -18.184 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.412 -15.167 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.613 -16.103 0.559 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.097 -15.741 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.482 -13.971 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.136 -13.554 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.801 -14.137 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.004 -16.399 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.358 -16.664 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.978 -17.670 0.471 1.00 0.00 H new ATOM 1383 N SER A 91 1.777 -16.541 4.021 1.00 0.00 N ATOM 1384 CA SER A 91 3.049 -16.087 4.596 1.00 0.00 C ATOM 1385 C SER A 91 3.938 -15.292 3.623 1.00 0.00 C ATOM 1386 O SER A 91 4.251 -14.142 3.919 1.00 0.00 O ATOM 1387 CB SER A 91 3.792 -17.234 5.289 1.00 0.00 C ATOM 1388 OG SER A 91 4.218 -16.853 6.589 1.00 0.00 O ATOM 0 H SER A 91 0.983 -16.245 4.589 1.00 0.00 H new ATOM 0 HA SER A 91 2.786 -15.360 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.141 -18.105 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.655 -17.527 4.691 1.00 0.00 H new ATOM 0 HG SER A 91 4.688 -17.602 7.012 1.00 0.00 H new ATOM 1394 N ASN A 92 4.333 -15.857 2.481 1.00 0.00 N ATOM 1395 CA ASN A 92 4.978 -15.145 1.381 1.00 0.00 C ATOM 1396 C ASN A 92 4.507 -15.614 0.004 1.00 0.00 C ATOM 1397 O ASN A 92 4.886 -15.001 -0.988 1.00 0.00 O ATOM 1398 CB ASN A 92 6.503 -15.257 1.484 1.00 0.00 C ATOM 1399 CG ASN A 92 7.074 -14.117 2.309 1.00 0.00 C ATOM 1400 OD1 ASN A 92 6.793 -12.949 2.048 1.00 0.00 O ATOM 1401 ND2 ASN A 92 7.893 -14.420 3.297 1.00 0.00 N ATOM 0 H ASN A 92 4.209 -16.852 2.292 1.00 0.00 H new ATOM 0 HA ASN A 92 4.682 -14.100 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.772 -16.211 1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.941 -15.244 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.307 -13.678 3.862 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.113 -15.396 3.496 1.00 0.00 H new ATOM 1408 N GLU A 93 3.678 -16.654 -0.096 1.00 0.00 N ATOM 1409 CA GLU A 93 3.447 -17.382 -1.339 1.00 0.00 C ATOM 1410 C GLU A 93 2.802 -16.518 -2.426 1.00 0.00 C ATOM 1411 O GLU A 93 3.499 -15.888 -3.225 1.00 0.00 O ATOM 1412 CB GLU A 93 2.584 -18.613 -1.039 1.00 0.00 C ATOM 1413 CG GLU A 93 3.305 -19.678 -0.221 1.00 0.00 C ATOM 1414 CD GLU A 93 2.340 -20.810 0.110 1.00 0.00 C ATOM 1415 OE1 GLU A 93 2.072 -21.641 -0.787 1.00 0.00 O ATOM 1416 OE2 GLU A 93 1.879 -20.910 1.270 1.00 0.00 O ATOM 0 H GLU A 93 3.144 -17.016 0.694 1.00 0.00 H new ATOM 0 HA GLU A 93 4.416 -17.687 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.690 -18.297 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.252 -19.052 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.157 -20.065 -0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.698 -19.241 0.697 1.00 0.00 H new ATOM 1423 N SER A 94 1.473 -16.413 -2.456 1.00 0.00 N ATOM 1424 CA SER A 94 0.806 -15.483 -3.356 1.00 0.00 C ATOM 1425 C SER A 94 1.021 -14.018 -2.925 1.00 0.00 C ATOM 1426 O SER A 94 0.442 -13.109 -3.507 1.00 0.00 O ATOM 1427 CB SER A 94 -0.672 -15.840 -3.500 1.00 0.00 C ATOM 1428 OG SER A 94 -0.875 -17.192 -3.854 1.00 0.00 O ATOM 0 H SER A 94 0.843 -16.960 -1.869 1.00 0.00 H new ATOM 0 HA SER A 94 1.260 -15.578 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.184 -15.634 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.124 -15.199 -4.257 1.00 0.00 H new ATOM 0 HG SER A 94 -1.744 -17.287 -4.298 1.00 0.00 H new ATOM 1434 N VAL A 95 1.854 -13.752 -1.917 1.00 0.00 N ATOM 1435 CA VAL A 95 2.309 -12.408 -1.577 1.00 0.00 C ATOM 1436 C VAL A 95 3.227 -11.910 -2.683 1.00 0.00 C ATOM 1437 O VAL A 95 3.123 -10.747 -3.058 1.00 0.00 O ATOM 1438 CB VAL A 95 3.028 -12.387 -0.214 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.211 -10.971 0.335 1.00 0.00 C ATOM 1440 CG2 VAL A 95 2.256 -13.226 0.807 1.00 0.00 C ATOM 0 H VAL A 95 2.235 -14.476 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 95 1.446 -11.748 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 95 4.019 -12.810 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.723 -11.017 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.805 -10.383 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.236 -10.502 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.776 -13.202 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.252 -12.819 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.190 -14.256 0.456 1.00 0.00 H new ATOM 1450 N ASN A 96 4.077 -12.788 -3.231 1.00 0.00 N ATOM 1451 CA ASN A 96 4.868 -12.491 -4.422 1.00 0.00 C ATOM 1452 C ASN A 96 3.924 -12.177 -5.579 1.00 0.00 C ATOM 1453 O ASN A 96 4.095 -11.159 -6.239 1.00 0.00 O ATOM 1454 CB ASN A 96 5.793 -13.663 -4.796 1.00 0.00 C ATOM 1455 CG ASN A 96 7.035 -13.738 -3.918 1.00 0.00 C ATOM 1456 OD1 ASN A 96 8.112 -13.298 -4.313 1.00 0.00 O ATOM 1457 ND2 ASN A 96 6.932 -14.263 -2.710 1.00 0.00 N ATOM 0 H ASN A 96 4.232 -13.724 -2.857 1.00 0.00 H new ATOM 0 HA ASN A 96 5.502 -11.630 -4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.239 -14.598 -4.714 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.096 -13.563 -5.838 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.749 -14.304 -2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.036 -14.627 -2.387 1.00 0.00 H new ATOM 1464 N LEU A 97 2.891 -13.009 -5.776 1.00 0.00 N ATOM 1465 CA LEU A 97 1.947 -12.857 -6.880 1.00 0.00 C ATOM 1466 C LEU A 97 1.277 -11.495 -6.797 1.00 0.00 C ATOM 1467 O LEU A 97 1.294 -10.713 -7.743 1.00 0.00 O ATOM 1468 CB LEU A 97 0.949 -14.014 -6.790 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.221 -13.997 -7.785 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -0.862 -15.380 -7.656 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.282 -12.933 -7.503 1.00 0.00 C ATOM 0 H LEU A 97 2.691 -13.805 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 97 2.445 -12.897 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.497 -14.947 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.537 -14.030 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 97 0.160 -13.759 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.710 -15.453 -8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.128 -16.146 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.204 -15.528 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.069 -12.995 -8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.711 -13.100 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.824 -11.944 -7.538 1.00 0.00 H new ATOM 1483 N LEU A 98 0.670 -11.209 -5.648 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.090 -9.993 -5.462 1.00 0.00 C ATOM 1485 C LEU A 98 0.830 -8.786 -5.531 1.00 0.00 C ATOM 1486 O LEU A 98 0.414 -7.747 -6.025 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.805 -10.070 -4.111 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.657 -8.839 -3.764 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.736 -8.567 -4.819 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.264 -9.033 -2.365 1.00 0.00 C ATOM 0 H LEU A 98 0.695 -11.815 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.832 -9.885 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.446 -10.952 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.060 -10.211 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.017 -7.957 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.313 -7.688 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.264 -8.391 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.400 -9.429 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.871 -8.165 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.888 -9.927 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.464 -9.145 -1.634 1.00 0.00 H new ATOM 1502 N LYS A 99 2.087 -8.898 -5.095 1.00 0.00 N ATOM 1503 CA LYS A 99 3.048 -7.832 -5.334 1.00 0.00 C ATOM 1504 C LYS A 99 3.176 -7.574 -6.814 1.00 0.00 C ATOM 1505 O LYS A 99 2.925 -6.448 -7.228 1.00 0.00 O ATOM 1506 CB LYS A 99 4.407 -8.121 -4.710 1.00 0.00 C ATOM 1507 CG LYS A 99 4.717 -6.941 -3.791 1.00 0.00 C ATOM 1508 CD LYS A 99 5.807 -7.252 -2.785 1.00 0.00 C ATOM 1509 CE LYS A 99 5.372 -8.341 -1.804 1.00 0.00 C ATOM 1510 NZ LYS A 99 6.492 -8.801 -0.958 1.00 0.00 N ATOM 0 H LYS A 99 2.453 -9.702 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 99 2.669 -6.934 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.386 -9.055 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.173 -8.227 -5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.019 -6.085 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.810 -6.652 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.707 -7.572 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.064 -6.347 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.571 -7.960 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.965 -9.187 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.155 -9.539 -0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.246 -9.189 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.865 -8.000 -0.410 1.00 0.00 H new ATOM 1524 N SER A 100 3.454 -8.603 -7.611 1.00 0.00 N ATOM 1525 CA SER A 100 3.585 -8.413 -9.039 1.00 0.00 C ATOM 1526 C SER A 100 2.324 -7.773 -9.647 1.00 0.00 C ATOM 1527 O SER A 100 2.417 -7.033 -10.630 1.00 0.00 O ATOM 1528 CB SER A 100 3.815 -9.767 -9.720 1.00 0.00 C ATOM 1529 OG SER A 100 5.036 -10.393 -9.372 1.00 0.00 O ATOM 0 H SER A 100 3.590 -9.562 -7.291 1.00 0.00 H new ATOM 0 HA SER A 100 4.431 -7.746 -9.204 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.992 -10.434 -9.464 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.787 -9.627 -10.801 1.00 0.00 H new ATOM 0 HG SER A 100 5.110 -11.249 -9.843 1.00 0.00 H new ATOM 1535 N HIS A 101 1.136 -8.064 -9.103 1.00 0.00 N ATOM 1536 CA HIS A 101 -0.117 -7.508 -9.587 1.00 0.00 C ATOM 1537 C HIS A 101 -0.206 -6.024 -9.240 1.00 0.00 C ATOM 1538 O HIS A 101 -0.527 -5.210 -10.103 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.299 -8.266 -8.961 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.622 -9.605 -9.566 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -0.796 -10.402 -10.311 1.00 0.00 N flip ATOM 1542 CD2 HIS A 101 -2.833 -10.247 -9.453 1.00 0.00 C flip ATOM 1543 CE1 HIS A 101 -1.528 -11.532 -10.692 1.00 0.00 C flip ATOM 1544 NE2 HIS A 101 -2.747 -11.395 -10.137 1.00 0.00 N flip ATOM 0 H HIS A 101 1.025 -8.696 -8.310 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.156 -7.616 -10.671 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.091 -8.410 -7.901 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.186 -7.636 -9.030 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.696 -9.890 -8.911 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.184 -12.350 -11.308 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -3.503 -12.074 -10.226 1.00 0.00 H new ATOM 1552 N LEU A 102 0.074 -5.662 -7.988 1.00 0.00 N ATOM 1553 CA LEU A 102 0.040 -4.293 -7.486 1.00 0.00 C ATOM 1554 C LEU A 102 1.091 -3.435 -8.165 1.00 0.00 C ATOM 1555 O LEU A 102 0.794 -2.292 -8.509 1.00 0.00 O ATOM 1556 CB LEU A 102 0.231 -4.272 -5.971 1.00 0.00 C ATOM 1557 CG LEU A 102 -0.898 -4.952 -5.189 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.440 -5.074 -3.734 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.220 -4.181 -5.266 1.00 0.00 C ATOM 0 H LEU A 102 0.340 -6.339 -7.273 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.939 -3.875 -7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.174 -4.762 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.315 -3.237 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.093 -5.930 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.221 -5.555 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.470 -5.673 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.242 -4.081 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.983 -4.709 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.083 -3.182 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.536 -4.103 -6.306 1.00 0.00 H new ATOM 1571 N GLU A 103 2.297 -3.967 -8.369 1.00 0.00 N ATOM 1572 CA GLU A 103 3.396 -3.207 -8.957 1.00 0.00 C ATOM 1573 C GLU A 103 3.045 -2.796 -10.392 1.00 0.00 C ATOM 1574 O GLU A 103 3.514 -1.767 -10.876 1.00 0.00 O ATOM 1575 CB GLU A 103 4.708 -4.016 -8.895 1.00 0.00 C ATOM 1576 CG GLU A 103 5.273 -4.132 -7.467 1.00 0.00 C ATOM 1577 CD GLU A 103 6.697 -4.694 -7.449 1.00 0.00 C ATOM 1578 OE1 GLU A 103 7.651 -3.891 -7.554 1.00 0.00 O ATOM 1579 OE2 GLU A 103 6.882 -5.925 -7.299 1.00 0.00 O ATOM 0 H GLU A 103 2.536 -4.930 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 103 3.550 -2.296 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.532 -5.015 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.451 -3.543 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.267 -3.149 -6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.624 -4.775 -6.873 1.00 0.00 H new ATOM 1586 N GLU A 104 2.179 -3.568 -11.053 1.00 0.00 N ATOM 1587 CA GLU A 104 1.687 -3.350 -12.404 1.00 0.00 C ATOM 1588 C GLU A 104 0.413 -2.507 -12.406 1.00 0.00 C ATOM 1589 O GLU A 104 0.301 -1.580 -13.206 1.00 0.00 O ATOM 1590 CB GLU A 104 1.422 -4.725 -13.025 1.00 0.00 C ATOM 1591 CG GLU A 104 2.734 -5.415 -13.407 1.00 0.00 C ATOM 1592 CD GLU A 104 3.180 -4.995 -14.803 1.00 0.00 C ATOM 1593 OE1 GLU A 104 2.479 -5.372 -15.768 1.00 0.00 O ATOM 1594 OE2 GLU A 104 4.241 -4.339 -14.941 1.00 0.00 O ATOM 0 H GLU A 104 1.784 -4.408 -10.631 1.00 0.00 H new ATOM 0 HA GLU A 104 2.429 -2.800 -12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.872 -5.347 -12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.794 -4.614 -13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.508 -5.162 -12.682 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.605 -6.497 -13.372 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.535 -2.793 -11.510 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.751 -2.012 -11.276 1.00 0.00 C ATOM 1603 C LEU A 105 -1.373 -0.556 -11.073 1.00 0.00 C ATOM 1604 O LEU A 105 -1.991 0.332 -11.649 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.471 -2.567 -10.037 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.643 -1.710 -9.520 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.790 -1.639 -10.526 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.124 -2.314 -8.199 1.00 0.00 C ATOM 0 H LEU A 105 -0.473 -3.610 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.422 -2.083 -12.132 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.846 -3.564 -10.270 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.743 -2.680 -9.234 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.298 -0.687 -9.372 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.593 -1.025 -10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.431 -1.198 -11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.165 -2.644 -10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.955 -1.725 -7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.453 -3.340 -8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.307 -2.308 -7.477 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.319 -0.310 -10.297 1.00 0.00 N ATOM 1621 CA ALA A 106 0.174 1.017 -10.024 1.00 0.00 C ATOM 1622 C ALA A 106 0.411 1.787 -11.326 1.00 0.00 C ATOM 1623 O ALA A 106 0.005 2.941 -11.403 1.00 0.00 O ATOM 1624 CB ALA A 106 1.423 0.916 -9.147 1.00 0.00 C ATOM 0 H ALA A 106 0.217 -1.046 -9.838 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.571 1.590 -9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.802 1.916 -8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.171 0.419 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.188 0.341 -9.668 1.00 0.00 H new ATOM 1630 N LYS A 107 0.986 1.177 -12.377 1.00 0.00 N ATOM 1631 CA LYS A 107 1.214 1.872 -13.655 1.00 0.00 C ATOM 1632 C LYS A 107 -0.108 2.280 -14.294 1.00 0.00 C ATOM 1633 O LYS A 107 -0.248 3.388 -14.805 1.00 0.00 O ATOM 1634 CB LYS A 107 1.951 0.997 -14.686 1.00 0.00 C ATOM 1635 CG LYS A 107 3.448 0.917 -14.408 1.00 0.00 C ATOM 1636 CD LYS A 107 3.873 -0.384 -13.732 1.00 0.00 C ATOM 1637 CE LYS A 107 5.170 -0.202 -12.933 1.00 0.00 C ATOM 1638 NZ LYS A 107 6.217 0.540 -13.676 1.00 0.00 N ATOM 0 H LYS A 107 1.300 0.207 -12.366 1.00 0.00 H new ATOM 0 HA LYS A 107 1.825 2.740 -13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.527 -0.007 -14.677 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.790 1.402 -15.685 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.990 1.023 -15.348 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.738 1.757 -13.776 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.080 -0.727 -13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.014 -1.158 -14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.947 0.328 -12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.557 -1.182 -12.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.121 0.470 -13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.323 0.132 -14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.942 1.540 -13.757 1.00 0.00 H new ATOM 1652 N LYS A 108 -1.094 1.385 -14.240 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.393 1.528 -14.877 1.00 0.00 C ATOM 1654 C LYS A 108 -3.211 2.571 -14.118 1.00 0.00 C ATOM 1655 O LYS A 108 -4.241 3.018 -14.620 1.00 0.00 O ATOM 1656 CB LYS A 108 -3.100 0.157 -14.893 1.00 0.00 C ATOM 1657 CG LYS A 108 -2.252 -0.965 -15.548 1.00 0.00 C ATOM 1658 CD LYS A 108 -2.803 -2.379 -15.288 1.00 0.00 C ATOM 1659 CE LYS A 108 -1.718 -3.462 -15.164 1.00 0.00 C ATOM 1660 NZ LYS A 108 -0.859 -3.614 -16.359 1.00 0.00 N ATOM 0 H LYS A 108 -1.001 0.507 -13.730 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.281 1.867 -15.907 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.342 -0.131 -13.870 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.044 0.249 -15.430 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.205 -0.794 -16.623 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.231 -0.906 -15.171 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.393 -2.365 -14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.480 -2.649 -16.099 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.087 -3.229 -14.307 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.199 -4.417 -14.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.158 -4.363 -16.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.446 -3.869 -17.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.368 -2.717 -16.550 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.752 2.974 -12.930 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.351 3.986 -12.095 1.00 0.00 C ATOM 1676 C GLN A 109 -2.441 5.230 -11.986 1.00 0.00 C ATOM 1677 O GLN A 109 -2.772 6.178 -11.271 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.633 3.377 -10.709 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.522 2.112 -10.690 1.00 0.00 C ATOM 1680 CD GLN A 109 -6.021 2.375 -10.826 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.715 1.695 -11.574 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.591 3.321 -10.094 1.00 0.00 N ATOM 0 H GLN A 109 -1.910 2.575 -12.515 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.288 4.319 -12.542 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.679 3.133 -10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.107 4.139 -10.090 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.209 1.454 -11.500 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.345 1.576 -9.758 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.024 3.893 -9.468 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.597 3.477 -10.156 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.264 5.222 -12.628 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.197 6.183 -12.396 1.00 0.00 C ATOM 1693 C CYS A 110 -0.576 7.513 -13.021 1.00 0.00 C ATOM 1694 O CYS A 110 -0.553 7.673 -14.244 1.00 0.00 O ATOM 1695 CB CYS A 110 1.145 5.646 -12.901 1.00 0.00 C ATOM 1696 SG CYS A 110 2.495 6.815 -12.581 1.00 0.00 S ATOM 0 H CYS A 110 -1.031 4.528 -13.338 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.070 6.343 -11.325 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.363 4.695 -12.415 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.079 5.449 -13.971 1.00 0.00 H new ATOM 0 HG CYS A 110 2.138 7.644 -11.645 1.00 0.00 H new ATOM 1702 N GLY A 111 -0.925 8.455 -12.154 1.00 0.00 N ATOM 1703 CA GLY A 111 -1.362 9.788 -12.497 1.00 0.00 C ATOM 1704 C GLY A 111 -2.196 10.366 -11.360 1.00 0.00 C ATOM 1705 O GLY A 111 -2.100 11.565 -11.099 1.00 0.00 O ATOM 0 H GLY A 111 -0.908 8.295 -11.147 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.499 10.426 -12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.949 9.763 -13.415 1.00 0.00 H new ATOM 1709 N GLU A 112 -2.968 9.535 -10.654 1.00 0.00 N ATOM 1710 CA GLU A 112 -3.920 9.934 -9.637 1.00 0.00 C ATOM 1711 C GLU A 112 -3.705 9.062 -8.384 1.00 0.00 C ATOM 1712 O GLU A 112 -2.829 8.191 -8.360 1.00 0.00 O ATOM 1713 CB GLU A 112 -5.306 9.858 -10.304 1.00 0.00 C ATOM 1714 CG GLU A 112 -6.468 10.037 -9.334 1.00 0.00 C ATOM 1715 CD GLU A 112 -7.791 10.344 -10.034 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -7.889 11.375 -10.746 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -8.748 9.564 -9.854 1.00 0.00 O ATOM 0 H GLU A 112 -2.938 8.524 -10.788 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.801 10.953 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.369 10.624 -11.077 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.406 8.894 -10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.580 9.130 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.234 10.845 -8.641 1.00 0.00 H new ATOM 1724 N VAL A 113 -4.419 9.370 -7.301 1.00 0.00 N ATOM 1725 CA VAL A 113 -4.212 8.833 -5.969 1.00 0.00 C ATOM 1726 C VAL A 113 -4.709 7.381 -5.870 1.00 0.00 C ATOM 1727 O VAL A 113 -5.810 7.058 -5.432 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.753 9.824 -4.919 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.938 11.129 -5.023 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -6.245 10.173 -5.054 1.00 0.00 C ATOM 0 H VAL A 113 -5.193 10.033 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.149 8.744 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.649 9.327 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.304 11.846 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.886 10.917 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.047 11.547 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.527 10.876 -4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.426 10.626 -6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.841 9.265 -4.959 1.00 0.00 H new ATOM 1740 N MET A 114 -3.843 6.477 -6.310 1.00 0.00 N ATOM 1741 CA MET A 114 -4.118 5.074 -6.613 1.00 0.00 C ATOM 1742 C MET A 114 -4.238 4.236 -5.352 1.00 0.00 C ATOM 1743 O MET A 114 -4.685 3.098 -5.428 1.00 0.00 O ATOM 1744 CB MET A 114 -2.995 4.524 -7.502 1.00 0.00 C ATOM 1745 CG MET A 114 -1.641 4.444 -6.786 1.00 0.00 C ATOM 1746 SD MET A 114 -0.265 3.875 -7.810 1.00 0.00 S ATOM 1747 CE MET A 114 -0.069 5.277 -8.918 1.00 0.00 C ATOM 0 H MET A 114 -2.866 6.718 -6.476 1.00 0.00 H new ATOM 0 HA MET A 114 -5.074 5.017 -7.134 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.272 3.530 -7.853 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.895 5.157 -8.384 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.397 5.431 -6.392 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.738 3.775 -5.931 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.831 5.143 -9.519 1.00 0.00 H new ATOM 0 HE2 MET A 114 -0.936 5.346 -9.574 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.018 6.193 -8.334 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.809 4.774 -4.210 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.720 4.107 -2.919 1.00 0.00 C ATOM 1759 C ILE A 115 -5.006 3.347 -2.626 1.00 0.00 C ATOM 1760 O ILE A 115 -4.982 2.198 -2.182 1.00 0.00 O ATOM 1761 CB ILE A 115 -3.449 5.198 -1.848 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.976 5.642 -1.929 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -3.848 4.779 -0.424 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -1.680 6.929 -1.148 1.00 0.00 C ATOM 0 H ILE A 115 -3.497 5.744 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.912 3.376 -2.914 1.00 0.00 H new ATOM 0 HB ILE A 115 -4.094 6.047 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.342 4.841 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.707 5.791 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.629 5.591 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.914 4.555 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.284 3.893 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.625 7.182 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -2.288 7.743 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.917 6.778 -0.095 1.00 0.00 H new ATOM 1776 N PHE A 116 -6.128 4.015 -2.879 1.00 0.00 N ATOM 1777 CA PHE A 116 -7.434 3.474 -2.537 1.00 0.00 C ATOM 1778 C PHE A 116 -7.695 2.171 -3.298 1.00 0.00 C ATOM 1779 O PHE A 116 -8.144 1.187 -2.713 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.497 4.548 -2.776 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.597 5.551 -1.645 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -9.033 5.095 -0.389 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -8.315 6.922 -1.834 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -9.276 6.011 0.637 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -8.567 7.839 -0.792 1.00 0.00 C ATOM 1786 CZ PHE A 116 -9.096 7.382 0.427 1.00 0.00 C ATOM 0 H PHE A 116 -6.156 4.934 -3.321 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.473 3.209 -1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -8.269 5.076 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.466 4.067 -2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.180 4.039 -0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.908 7.267 -2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -9.606 5.657 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -8.354 8.889 -0.931 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.363 8.088 1.200 1.00 0.00 H new ATOM 1796 N GLU A 117 -7.332 2.136 -4.576 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.434 0.966 -5.422 1.00 0.00 C ATOM 1798 C GLU A 117 -6.388 -0.088 -5.044 1.00 0.00 C ATOM 1799 O GLU A 117 -6.697 -1.276 -5.056 1.00 0.00 O ATOM 1800 CB GLU A 117 -7.320 1.463 -6.863 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.080 0.407 -7.936 1.00 0.00 C ATOM 1802 CD GLU A 117 -7.997 -0.831 -7.952 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -8.960 -0.968 -7.168 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -7.775 -1.682 -8.848 1.00 0.00 O ATOM 0 H GLU A 117 -6.948 2.948 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.387 0.453 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.237 1.998 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.506 2.186 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.160 0.894 -8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -6.052 0.059 -7.838 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.165 0.309 -4.666 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.127 -0.659 -4.262 1.00 0.00 C ATOM 1813 C LEU A 118 -4.659 -1.530 -3.124 1.00 0.00 C ATOM 1814 O LEU A 118 -4.555 -2.758 -3.161 1.00 0.00 O ATOM 1815 CB LEU A 118 -2.776 -0.037 -3.836 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.187 1.046 -4.758 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.695 1.235 -4.487 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.366 0.795 -6.253 1.00 0.00 C ATOM 0 H LEU A 118 -4.868 1.284 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.913 -1.244 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.899 0.394 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.045 -0.841 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.760 1.941 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.300 2.005 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.549 1.539 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.171 0.297 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.917 1.614 -6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.880 -0.142 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.429 0.734 -6.487 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.219 -0.886 -2.103 1.00 0.00 N ATOM 1831 CA ALA A 119 -5.987 -1.543 -1.063 1.00 0.00 C ATOM 1832 C ALA A 119 -7.142 -2.414 -1.590 1.00 0.00 C ATOM 1833 O ALA A 119 -7.156 -3.612 -1.303 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.404 -0.493 -0.048 1.00 0.00 C ATOM 0 H ALA A 119 -5.147 0.124 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.357 -2.280 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.984 -0.964 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.516 -0.027 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.012 0.267 -0.539 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.097 -1.872 -2.352 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.255 -2.628 -2.833 1.00 0.00 C ATOM 1842 C HIS A 120 -8.861 -3.885 -3.625 1.00 0.00 C ATOM 1843 O HIS A 120 -9.498 -4.938 -3.516 1.00 0.00 O ATOM 1844 CB HIS A 120 -10.108 -1.704 -3.710 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.139 -0.894 -2.967 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.479 -0.869 -3.270 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -10.942 -0.080 -1.883 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.086 -0.083 -2.373 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -12.187 0.463 -1.536 1.00 0.00 N ATOM 0 H HIS A 120 -8.088 -0.897 -2.652 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.817 -2.973 -1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.446 -1.021 -4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.615 -2.308 -4.462 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.001 0.109 -1.387 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.151 0.089 -2.328 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -12.374 1.139 -0.795 1.00 0.00 H new ATOM 1857 N HIS A 121 -7.807 -3.795 -4.431 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.278 -4.904 -5.201 1.00 0.00 C ATOM 1859 C HIS A 121 -6.839 -6.032 -4.259 1.00 0.00 C ATOM 1860 O HIS A 121 -7.230 -7.183 -4.440 1.00 0.00 O ATOM 1861 CB HIS A 121 -6.144 -4.379 -6.083 1.00 0.00 C ATOM 1862 CG HIS A 121 -5.692 -5.366 -7.121 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -6.224 -5.508 -8.382 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -4.651 -6.243 -7.001 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -5.512 -6.454 -9.016 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -4.543 -6.925 -8.212 1.00 0.00 N ATOM 0 H HIS A 121 -7.289 -2.927 -4.566 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.039 -5.332 -5.854 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.472 -3.466 -6.579 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.296 -4.112 -5.452 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -7.014 -4.990 -8.765 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.028 -6.382 -6.130 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.692 -6.788 -10.027 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.091 -5.718 -3.196 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.731 -6.701 -2.181 1.00 0.00 C ATOM 1876 C VAL A 122 -6.974 -7.278 -1.506 1.00 0.00 C ATOM 1877 O VAL A 122 -7.013 -8.486 -1.294 1.00 0.00 O ATOM 1878 CB VAL A 122 -4.730 -6.107 -1.175 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.433 -7.022 0.024 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.420 -5.813 -1.907 1.00 0.00 C ATOM 0 H VAL A 122 -5.723 -4.783 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.229 -7.536 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.187 -5.204 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.719 -6.533 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.357 -7.220 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.012 -7.963 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.699 -5.391 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.022 -6.737 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.605 -5.101 -2.711 1.00 0.00 H new ATOM 1890 N GLN A 123 -7.999 -6.486 -1.178 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.193 -7.046 -0.537 1.00 0.00 C ATOM 1892 C GLN A 123 -9.906 -8.038 -1.456 1.00 0.00 C ATOM 1893 O GLN A 123 -10.453 -9.041 -0.985 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.177 -5.952 -0.104 1.00 0.00 C ATOM 1895 CG GLN A 123 -9.616 -4.927 0.882 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.618 -3.791 1.074 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -11.034 -3.133 0.126 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -11.036 -3.539 2.295 1.00 0.00 N ATOM 0 H GLN A 123 -8.028 -5.479 -1.340 1.00 0.00 H new ATOM 0 HA GLN A 123 -8.847 -7.571 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.525 -5.425 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.049 -6.427 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.407 -5.406 1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.671 -4.531 0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.685 -4.091 3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.711 -2.792 2.459 1.00 0.00 H new ATOM 1907 N SER A 124 -9.882 -7.782 -2.763 1.00 0.00 N ATOM 1908 CA SER A 124 -10.423 -8.679 -3.771 1.00 0.00 C ATOM 1909 C SER A 124 -9.643 -9.998 -3.779 1.00 0.00 C ATOM 1910 O SER A 124 -10.227 -11.077 -3.674 1.00 0.00 O ATOM 1911 CB SER A 124 -10.349 -8.009 -5.145 1.00 0.00 C ATOM 1912 OG SER A 124 -10.944 -6.716 -5.135 1.00 0.00 O ATOM 0 H SER A 124 -9.478 -6.930 -3.153 1.00 0.00 H new ATOM 0 HA SER A 124 -11.465 -8.897 -3.536 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.307 -7.927 -5.454 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.852 -8.635 -5.882 1.00 0.00 H new ATOM 0 HG SER A 124 -10.361 -6.092 -4.654 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.315 -9.906 -3.857 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.404 -11.039 -3.931 1.00 0.00 C ATOM 1920 C PHE A 125 -7.508 -11.873 -2.662 1.00 0.00 C ATOM 1921 O PHE A 125 -7.417 -13.103 -2.698 1.00 0.00 O ATOM 1922 CB PHE A 125 -5.995 -10.454 -4.030 1.00 0.00 C ATOM 1923 CG PHE A 125 -4.874 -11.415 -3.731 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.280 -12.192 -4.741 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.425 -11.507 -2.404 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.220 -13.059 -4.417 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.368 -12.364 -2.082 1.00 0.00 C ATOM 1928 CZ PHE A 125 -2.766 -13.127 -3.087 1.00 0.00 C ATOM 0 H PHE A 125 -7.832 -9.008 -3.871 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.640 -11.676 -4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -5.854 -10.059 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -5.921 -9.611 -3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.635 -12.124 -5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.896 -10.916 -1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.759 -13.666 -5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.019 -12.436 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.941 -13.778 -2.839 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.670 -11.198 -1.518 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.708 -11.867 -0.241 1.00 0.00 C ATOM 1940 C LEU A 126 -8.871 -12.850 -0.281 1.00 0.00 C ATOM 1941 O LEU A 126 -8.658 -14.040 -0.090 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.817 -10.895 0.944 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.493 -10.222 1.343 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.775 -9.076 2.313 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.568 -11.207 2.057 1.00 0.00 C ATOM 0 H LEU A 126 -7.776 -10.185 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.767 -12.392 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.543 -10.121 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.209 -11.435 1.806 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.016 -9.863 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.836 -8.599 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.424 -8.344 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.266 -9.466 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.640 -10.704 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.056 -11.577 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.347 -12.044 1.395 1.00 0.00 H new ATOM 1957 N SER A 127 -10.078 -12.360 -0.568 1.00 0.00 N ATOM 1958 CA SER A 127 -11.291 -13.161 -0.654 1.00 0.00 C ATOM 1959 C SER A 127 -11.311 -14.208 -1.773 1.00 0.00 C ATOM 1960 O SER A 127 -12.135 -15.124 -1.709 1.00 0.00 O ATOM 1961 CB SER A 127 -12.501 -12.237 -0.784 1.00 0.00 C ATOM 1962 OG SER A 127 -13.106 -12.139 0.482 1.00 0.00 O ATOM 0 H SER A 127 -10.239 -11.369 -0.751 1.00 0.00 H new ATOM 0 HA SER A 127 -11.325 -13.738 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.194 -11.253 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.207 -12.632 -1.515 1.00 0.00 H new ATOM 0 HG SER A 127 -13.886 -11.549 0.427 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.457 -14.105 -2.789 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.281 -15.139 -3.786 1.00 0.00 C ATOM 1970 C GLU A 128 -9.490 -16.297 -3.174 1.00 0.00 C ATOM 1971 O GLU A 128 -9.978 -17.424 -3.149 1.00 0.00 O ATOM 1972 CB GLU A 128 -9.595 -14.518 -5.005 1.00 0.00 C ATOM 1973 CG GLU A 128 -10.574 -13.704 -5.872 1.00 0.00 C ATOM 1974 CD GLU A 128 -10.317 -13.827 -7.376 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -9.214 -13.490 -7.863 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -11.273 -14.173 -8.111 1.00 0.00 O ATOM 0 H GLU A 128 -9.864 -13.288 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 128 -11.235 -15.550 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -8.783 -13.871 -4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -9.147 -15.307 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.592 -14.031 -5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -10.510 -12.654 -5.587 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.299 -16.042 -2.626 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.500 -17.080 -1.968 1.00 0.00 C ATOM 1985 C HIS A 129 -8.070 -17.508 -0.600 1.00 0.00 C ATOM 1986 O HIS A 129 -7.606 -18.496 -0.027 1.00 0.00 O ATOM 1987 CB HIS A 129 -6.050 -16.593 -1.836 1.00 0.00 C ATOM 1988 CG HIS A 129 -5.135 -17.031 -2.952 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -4.713 -18.319 -3.195 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -4.505 -16.213 -3.850 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -3.848 -18.276 -4.219 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -3.649 -17.009 -4.624 1.00 0.00 N ATOM 0 H HIS A 129 -7.864 -15.119 -2.625 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.536 -17.972 -2.593 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -6.049 -15.504 -1.790 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -5.645 -16.952 -0.890 1.00 0.00 H new ATOM 0 HD1 HIS A 129 -5.005 -19.154 -2.688 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -4.642 -15.146 -3.945 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -3.375 -19.142 -4.659 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.037 -16.775 -0.042 1.00 0.00 N ATOM 2001 CA ASN A 130 -9.759 -17.146 1.175 1.00 0.00 C ATOM 2002 C ASN A 130 -10.758 -18.239 0.799 1.00 0.00 C ATOM 2003 O ASN A 130 -11.488 -18.110 -0.185 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.472 -15.926 1.775 1.00 0.00 C ATOM 2005 CG ASN A 130 -11.264 -16.133 3.061 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -10.692 -16.648 4.132 1.00 0.00 O flip ATOM 2007 ND2 ASN A 130 -12.416 -15.724 3.125 1.00 0.00 N flip ATOM 0 H ASN A 130 -9.346 -15.886 -0.435 1.00 0.00 H new ATOM 0 HA ASN A 130 -9.069 -17.514 1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -9.722 -15.157 1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.153 -15.530 1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -12.862 -15.325 2.299 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -12.930 -15.782 4.004 1.00 0.00 H new