USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 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 39 ASN :FLIP amide:sc= -0.221 F(o=-4.5,f=-2.8) USER MOD Set 1.2: A 42 GLN : amide:sc= -2.53! C(o=-2.8!,f=-4.5!) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.74 K(o=-1.7,f=-5.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 21 TYR OH : rot 1:sc= -0.413 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -124:sc= 0.755 (180deg=-1.75) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.4!) USER MOD Single : A 40 GLN : amide:sc= -5.75! C(o=-5.8!,f=-8.3!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.949 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -1.57! C(o=-4!,f=-1.6!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -136:sc= -0.61 (180deg=-3.5) USER MOD Single : A 55 LYS NZ :NH3+ -128:sc= 0.73 (180deg=-0.163) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0664) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.885 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 162:sc= -0.0821 (180deg=-0.381) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.793 7.059 4.407 1.00 0.00 N ATOM 121 CA LEU A 11 1.949 6.186 4.238 1.00 0.00 C ATOM 122 C LEU A 11 1.799 4.918 5.071 1.00 0.00 C ATOM 123 O LEU A 11 2.088 3.817 4.600 1.00 0.00 O ATOM 124 CB LEU A 11 3.231 6.922 4.635 1.00 0.00 C ATOM 125 CG LEU A 11 4.504 6.493 3.906 1.00 0.00 C ATOM 126 CD1 LEU A 11 5.034 5.188 4.479 1.00 0.00 C ATOM 127 CD2 LEU A 11 4.243 6.355 2.414 1.00 0.00 C ATOM 0 HA LEU A 11 2.010 5.904 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.081 7.988 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.387 6.788 5.705 1.00 0.00 H new ATOM 0 HG LEU A 11 5.261 7.264 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.940 4.899 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.261 5.321 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.281 4.408 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.160 6.049 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.470 5.605 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.911 7.313 2.013 1.00 0.00 H new ATOM 139 N ARG A 12 1.344 5.078 6.310 1.00 0.00 N ATOM 140 CA ARG A 12 1.155 3.945 7.207 1.00 0.00 C ATOM 141 C ARG A 12 0.528 2.765 6.468 1.00 0.00 C ATOM 142 O ARG A 12 0.697 1.613 6.864 1.00 0.00 O ATOM 143 CB ARG A 12 0.271 4.347 8.390 1.00 0.00 C ATOM 144 CG ARG A 12 -1.216 4.319 8.078 1.00 0.00 C ATOM 145 CD ARG A 12 -1.996 5.241 9.000 1.00 0.00 C ATOM 146 NE ARG A 12 -3.362 4.771 9.216 1.00 0.00 N ATOM 147 CZ ARG A 12 -3.681 3.807 10.072 1.00 0.00 C ATOM 148 NH1 ARG A 12 -2.737 3.214 10.788 1.00 0.00 N ATOM 149 NH2 ARG A 12 -4.947 3.435 10.212 1.00 0.00 N ATOM 0 H ARG A 12 1.100 5.982 6.715 1.00 0.00 H new ATOM 0 HA ARG A 12 2.133 3.640 7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.471 3.676 9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.547 5.351 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.377 4.617 7.042 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.591 3.300 8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.482 5.315 9.958 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.021 6.244 8.574 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.112 5.207 8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.763 3.498 10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.984 2.474 11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.676 3.889 9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.191 2.695 10.870 1.00 0.00 H new ATOM 163 N GLY A 13 -0.196 3.063 5.394 1.00 0.00 N ATOM 164 CA GLY A 13 -0.836 2.017 4.618 1.00 0.00 C ATOM 165 C GLY A 13 0.027 0.778 4.491 1.00 0.00 C ATOM 166 O GLY A 13 -0.485 -0.332 4.339 1.00 0.00 O ATOM 0 H GLY A 13 -0.351 4.010 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.783 1.750 5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.068 2.397 3.623 1.00 0.00 H new ATOM 170 N LEU A 14 1.341 0.965 4.552 1.00 0.00 N ATOM 171 CA LEU A 14 2.278 -0.147 4.441 1.00 0.00 C ATOM 172 C LEU A 14 2.485 -0.822 5.794 1.00 0.00 C ATOM 173 O LEU A 14 2.236 -2.017 5.945 1.00 0.00 O ATOM 174 CB LEU A 14 3.619 0.344 3.893 1.00 0.00 C ATOM 175 CG LEU A 14 3.579 1.011 2.518 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.937 1.598 2.170 1.00 0.00 C ATOM 177 CD2 LEU A 14 3.138 0.016 1.455 1.00 0.00 C ATOM 0 H LEU A 14 1.781 1.876 4.678 1.00 0.00 H new ATOM 0 HA LEU A 14 1.856 -0.878 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.043 1.052 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.301 -0.505 3.843 1.00 0.00 H new ATOM 0 HG LEU A 14 2.853 1.823 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.889 2.068 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.213 2.343 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.684 0.804 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.115 0.508 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.840 -0.818 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.143 -0.357 1.696 1.00 0.00 H new ATOM 189 N GLU A 15 2.939 -0.046 6.772 1.00 0.00 N ATOM 190 CA GLU A 15 3.177 -0.569 8.113 1.00 0.00 C ATOM 191 C GLU A 15 1.980 -1.381 8.600 1.00 0.00 C ATOM 192 O GLU A 15 2.133 -2.327 9.375 1.00 0.00 O ATOM 193 CB GLU A 15 3.462 0.574 9.088 1.00 0.00 C ATOM 194 CG GLU A 15 4.726 1.352 8.762 1.00 0.00 C ATOM 195 CD GLU A 15 4.743 2.731 9.392 1.00 0.00 C ATOM 196 OE1 GLU A 15 4.694 2.813 10.637 1.00 0.00 O ATOM 197 OE2 GLU A 15 4.803 3.727 8.641 1.00 0.00 O ATOM 0 H GLU A 15 3.149 0.946 6.662 1.00 0.00 H new ATOM 0 HA GLU A 15 4.047 -1.225 8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.614 1.259 9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.545 0.168 10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.593 0.789 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.819 1.450 7.680 1.00 0.00 H new ATOM 204 N CYS A 16 0.792 -1.006 8.142 1.00 0.00 N ATOM 205 CA CYS A 16 -0.431 -1.698 8.532 1.00 0.00 C ATOM 206 C CYS A 16 -0.349 -3.181 8.190 1.00 0.00 C ATOM 207 O CYS A 16 -0.450 -4.038 9.070 1.00 0.00 O ATOM 208 CB CYS A 16 -1.640 -1.068 7.838 1.00 0.00 C ATOM 209 SG CYS A 16 -2.404 0.282 8.768 1.00 0.00 S ATOM 0 H CYS A 16 0.649 -0.226 7.500 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.548 -1.599 9.611 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.331 -0.693 6.862 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.387 -1.841 7.661 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.415 0.751 8.100 1.00 0.00 H new ATOM 215 N ILE A 17 -0.169 -3.479 6.907 1.00 0.00 N ATOM 216 CA ILE A 17 -0.074 -4.860 6.450 1.00 0.00 C ATOM 217 C ILE A 17 1.198 -5.525 6.967 1.00 0.00 C ATOM 218 O ILE A 17 2.202 -4.858 7.214 1.00 0.00 O ATOM 219 CB ILE A 17 -0.095 -4.946 4.913 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.909 -3.961 4.311 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.497 -4.672 4.386 1.00 0.00 C ATOM 222 CD1 ILE A 17 1.157 -4.179 2.834 1.00 0.00 C ATOM 0 H ILE A 17 -0.086 -2.783 6.166 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.943 -5.384 6.848 1.00 0.00 H new ATOM 0 HB ILE A 17 0.193 -5.955 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.546 -2.945 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.855 -4.045 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.496 -4.736 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.189 -5.410 4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.811 -3.674 4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.879 -3.446 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.550 -5.183 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.221 -4.065 2.287 1.00 0.00 H new ATOM 234 N ASN A 18 1.147 -6.842 7.128 1.00 0.00 N ATOM 235 CA ASN A 18 2.295 -7.599 7.615 1.00 0.00 C ATOM 236 C ASN A 18 3.228 -7.970 6.467 1.00 0.00 C ATOM 237 O ASN A 18 2.787 -8.173 5.335 1.00 0.00 O ATOM 238 CB ASN A 18 1.829 -8.863 8.339 1.00 0.00 C ATOM 239 CG ASN A 18 0.898 -9.706 7.490 1.00 0.00 C ATOM 240 OD1 ASN A 18 0.808 -9.520 6.276 1.00 0.00 O ATOM 241 ND2 ASN A 18 0.198 -10.639 8.125 1.00 0.00 N ATOM 0 H ASN A 18 0.323 -7.409 6.928 1.00 0.00 H new ATOM 0 HA ASN A 18 2.843 -6.970 8.316 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.698 -9.458 8.621 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.321 -8.583 9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.445 -11.236 7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.304 -10.759 9.132 1.00 0.00 H new ATOM 248 N LYS A 19 4.519 -8.058 6.766 1.00 0.00 N ATOM 249 CA LYS A 19 5.516 -8.406 5.761 1.00 0.00 C ATOM 250 C LYS A 19 4.955 -9.419 4.767 1.00 0.00 C ATOM 251 O LYS A 19 5.291 -9.392 3.582 1.00 0.00 O ATOM 252 CB LYS A 19 6.769 -8.974 6.431 1.00 0.00 C ATOM 253 CG LYS A 19 7.423 -8.015 7.410 1.00 0.00 C ATOM 254 CD LYS A 19 8.317 -7.014 6.698 1.00 0.00 C ATOM 255 CE LYS A 19 8.906 -6.001 7.669 1.00 0.00 C ATOM 256 NZ LYS A 19 10.195 -5.444 7.175 1.00 0.00 N ATOM 0 H LYS A 19 4.900 -7.893 7.698 1.00 0.00 H new ATOM 0 HA LYS A 19 5.781 -7.498 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.506 -9.892 6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.492 -9.243 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.653 -7.483 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.011 -8.578 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.123 -7.543 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.743 -6.493 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.195 -5.189 7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.063 -6.475 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.564 -4.758 7.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.882 -6.215 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.041 -4.969 6.263 1.00 0.00 H new ATOM 270 N HIS A 20 4.099 -10.310 5.256 1.00 0.00 N ATOM 271 CA HIS A 20 3.491 -11.330 4.410 1.00 0.00 C ATOM 272 C HIS A 20 2.862 -10.703 3.170 1.00 0.00 C ATOM 273 O HIS A 20 3.202 -11.059 2.042 1.00 0.00 O ATOM 274 CB HIS A 20 2.433 -12.108 5.194 1.00 0.00 C ATOM 275 CG HIS A 20 1.830 -13.241 4.423 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.582 -14.227 3.819 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.536 -13.544 4.160 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.778 -15.085 3.217 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.531 -14.694 3.409 1.00 0.00 N ATOM 0 H HIS A 20 3.811 -10.346 6.234 1.00 0.00 H new ATOM 0 HA HIS A 20 4.275 -12.017 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.883 -12.499 6.106 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.641 -11.423 5.497 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.331 -12.985 4.481 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.088 -15.958 2.662 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.300 -15.169 3.057 1.00 0.00 H new ATOM 288 N TYR A 21 1.943 -9.767 3.387 1.00 0.00 N ATOM 289 CA TYR A 21 1.265 -9.093 2.287 1.00 0.00 C ATOM 290 C TYR A 21 2.198 -8.102 1.596 1.00 0.00 C ATOM 291 O TYR A 21 2.317 -8.094 0.371 1.00 0.00 O ATOM 292 CB TYR A 21 0.020 -8.366 2.797 1.00 0.00 C ATOM 293 CG TYR A 21 -1.170 -9.276 3.003 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.620 -10.105 1.981 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.847 -9.305 4.215 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.707 -10.937 2.164 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.934 -10.135 4.407 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.361 -10.949 3.378 1.00 0.00 C ATOM 299 OH TYR A 21 -4.445 -11.776 3.566 1.00 0.00 O ATOM 0 H TYR A 21 1.651 -9.459 4.315 1.00 0.00 H new ATOM 0 HA TYR A 21 0.965 -9.849 1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.258 -7.873 3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.250 -7.584 2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.111 -10.098 1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.518 -8.667 5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.043 -11.575 1.360 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.447 -10.147 5.357 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.607 -12.294 2.750 1.00 0.00 H new ATOM 309 N PHE A 22 2.859 -7.268 2.393 1.00 0.00 N ATOM 310 CA PHE A 22 3.783 -6.273 1.860 1.00 0.00 C ATOM 311 C PHE A 22 4.630 -6.863 0.737 1.00 0.00 C ATOM 312 O PHE A 22 4.782 -6.257 -0.324 1.00 0.00 O ATOM 313 CB PHE A 22 4.688 -5.741 2.972 1.00 0.00 C ATOM 314 CG PHE A 22 5.667 -4.702 2.503 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.239 -3.614 1.760 1.00 0.00 C ATOM 316 CD2 PHE A 22 7.014 -4.815 2.803 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.136 -2.656 1.326 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.917 -3.860 2.372 1.00 0.00 C ATOM 319 CZ PHE A 22 7.477 -2.781 1.632 1.00 0.00 C ATOM 0 H PHE A 22 2.772 -7.261 3.409 1.00 0.00 H new ATOM 0 HA PHE A 22 3.196 -5.449 1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.068 -5.315 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.237 -6.573 3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.192 -3.513 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.364 -5.658 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.789 -1.812 0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.965 -3.958 2.614 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.181 -2.035 1.293 1.00 0.00 H new ATOM 329 N SER A 23 5.179 -8.049 0.979 1.00 0.00 N ATOM 330 CA SER A 23 6.015 -8.720 -0.010 1.00 0.00 C ATOM 331 C SER A 23 5.337 -8.733 -1.377 1.00 0.00 C ATOM 332 O SER A 23 5.978 -8.508 -2.404 1.00 0.00 O ATOM 333 CB SER A 23 6.318 -10.152 0.435 1.00 0.00 C ATOM 334 OG SER A 23 7.436 -10.676 -0.260 1.00 0.00 O ATOM 0 H SER A 23 5.060 -8.565 1.851 1.00 0.00 H new ATOM 0 HA SER A 23 6.951 -8.167 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.512 -10.170 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.447 -10.783 0.258 1.00 0.00 H new ATOM 0 HG SER A 23 7.610 -11.591 0.043 1.00 0.00 H new ATOM 340 N LEU A 24 4.035 -8.997 -1.381 1.00 0.00 N ATOM 341 CA LEU A 24 3.267 -9.040 -2.621 1.00 0.00 C ATOM 342 C LEU A 24 3.257 -7.675 -3.302 1.00 0.00 C ATOM 343 O LEU A 24 3.648 -7.546 -4.462 1.00 0.00 O ATOM 344 CB LEU A 24 1.833 -9.492 -2.340 1.00 0.00 C ATOM 345 CG LEU A 24 1.644 -10.981 -2.047 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.881 -11.269 -0.572 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.253 -11.435 -2.465 1.00 0.00 C ATOM 0 H LEU A 24 3.489 -9.184 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 24 3.743 -9.757 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.454 -8.924 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.216 -9.230 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 24 2.376 -11.542 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.742 -12.333 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.898 -10.982 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.173 -10.698 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.137 -12.497 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.496 -10.868 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.121 -11.265 -3.534 1.00 0.00 H new ATOM 359 N PHE A 25 2.810 -6.658 -2.572 1.00 0.00 N ATOM 360 CA PHE A 25 2.752 -5.303 -3.106 1.00 0.00 C ATOM 361 C PHE A 25 4.023 -4.966 -3.879 1.00 0.00 C ATOM 362 O PHE A 25 3.966 -4.441 -4.992 1.00 0.00 O ATOM 363 CB PHE A 25 2.548 -4.294 -1.972 1.00 0.00 C ATOM 364 CG PHE A 25 2.055 -2.956 -2.443 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.002 -2.866 -3.339 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.644 -1.787 -1.988 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.545 -1.636 -3.773 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.191 -0.553 -2.417 1.00 0.00 C ATOM 369 CZ PHE A 25 1.141 -0.478 -3.313 1.00 0.00 C ATOM 0 H PHE A 25 2.483 -6.747 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 25 1.907 -5.246 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.836 -4.703 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.491 -4.159 -1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.533 -3.768 -3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.467 -1.840 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.277 -1.580 -4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.657 0.351 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.787 0.484 -3.653 1.00 0.00 H new ATOM 379 N LYS A 26 5.169 -5.271 -3.282 1.00 0.00 N ATOM 380 CA LYS A 26 6.457 -5.003 -3.913 1.00 0.00 C ATOM 381 C LYS A 26 6.546 -5.682 -5.275 1.00 0.00 C ATOM 382 O LYS A 26 6.953 -5.066 -6.261 1.00 0.00 O ATOM 383 CB LYS A 26 7.598 -5.486 -3.015 1.00 0.00 C ATOM 384 CG LYS A 26 8.055 -4.450 -2.002 1.00 0.00 C ATOM 385 CD LYS A 26 9.190 -4.976 -1.140 1.00 0.00 C ATOM 386 CE LYS A 26 8.672 -5.846 -0.006 1.00 0.00 C ATOM 387 NZ LYS A 26 9.624 -5.891 1.139 1.00 0.00 N ATOM 0 H LYS A 26 5.233 -5.704 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 26 6.547 -3.926 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.277 -6.383 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.445 -5.770 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.380 -3.549 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.216 -4.166 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.879 -5.553 -1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.754 -4.139 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.711 -5.462 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.499 -6.857 -0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.869 -6.880 1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.487 -5.365 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.181 -5.460 1.976 1.00 0.00 H new ATOM 401 N SER A 27 6.162 -6.954 -5.325 1.00 0.00 N ATOM 402 CA SER A 27 6.201 -7.717 -6.567 1.00 0.00 C ATOM 403 C SER A 27 5.395 -7.020 -7.659 1.00 0.00 C ATOM 404 O SER A 27 5.709 -7.128 -8.845 1.00 0.00 O ATOM 405 CB SER A 27 5.660 -9.129 -6.341 1.00 0.00 C ATOM 406 OG SER A 27 6.670 -9.989 -5.842 1.00 0.00 O ATOM 0 H SER A 27 5.820 -7.478 -4.519 1.00 0.00 H new ATOM 0 HA SER A 27 7.240 -7.782 -6.891 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.828 -9.095 -5.638 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.270 -9.527 -7.278 1.00 0.00 H new ATOM 0 HG SER A 27 6.298 -10.885 -5.704 1.00 0.00 H new ATOM 412 N LEU A 28 4.354 -6.303 -7.250 1.00 0.00 N ATOM 413 CA LEU A 28 3.501 -5.588 -8.192 1.00 0.00 C ATOM 414 C LEU A 28 4.136 -4.264 -8.604 1.00 0.00 C ATOM 415 O LEU A 28 4.291 -3.982 -9.794 1.00 0.00 O ATOM 416 CB LEU A 28 2.125 -5.334 -7.573 1.00 0.00 C ATOM 417 CG LEU A 28 1.442 -6.545 -6.934 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.448 -6.100 -5.874 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.752 -7.390 -7.995 1.00 0.00 C ATOM 0 H LEU A 28 4.081 -6.202 -6.273 1.00 0.00 H new ATOM 0 HA LEU A 28 3.385 -6.208 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.228 -4.558 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.468 -4.938 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 28 2.205 -7.156 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.028 -6.975 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.970 -5.539 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.312 -5.466 -6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.272 -8.247 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.000 -6.789 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.489 -7.740 -8.717 1.00 0.00 H new ATOM 431 N LEU A 29 4.505 -3.457 -7.616 1.00 0.00 N ATOM 432 CA LEU A 29 5.127 -2.163 -7.876 1.00 0.00 C ATOM 433 C LEU A 29 6.517 -2.339 -8.480 1.00 0.00 C ATOM 434 O LEU A 29 7.061 -1.419 -9.089 1.00 0.00 O ATOM 435 CB LEU A 29 5.218 -1.350 -6.584 1.00 0.00 C ATOM 436 CG LEU A 29 4.007 -0.478 -6.253 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.729 0.501 -7.382 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.785 -1.343 -5.981 1.00 0.00 C ATOM 0 H LEU A 29 4.384 -3.676 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 29 4.505 -1.626 -8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.382 -2.039 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.097 -0.708 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 29 4.231 0.093 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.863 1.113 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.597 1.143 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.527 -0.050 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.933 -0.705 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.559 -1.941 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.987 -2.003 -5.137 1.00 0.00 H new ATOM 450 N ALA A 30 7.086 -3.528 -8.307 1.00 0.00 N ATOM 451 CA ALA A 30 8.410 -3.825 -8.837 1.00 0.00 C ATOM 452 C ALA A 30 8.633 -3.133 -10.178 1.00 0.00 C ATOM 453 O ALA A 30 9.619 -2.419 -10.362 1.00 0.00 O ATOM 454 CB ALA A 30 8.596 -5.328 -8.981 1.00 0.00 C ATOM 0 H ALA A 30 6.650 -4.301 -7.804 1.00 0.00 H new ATOM 0 HA ALA A 30 9.149 -3.443 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.590 -5.535 -9.378 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.489 -5.803 -8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.843 -5.724 -9.662 1.00 0.00 H new ATOM 460 N ARG A 31 7.711 -3.347 -11.110 1.00 0.00 N ATOM 461 CA ARG A 31 7.808 -2.744 -12.433 1.00 0.00 C ATOM 462 C ARG A 31 7.978 -1.231 -12.332 1.00 0.00 C ATOM 463 O ARG A 31 8.985 -0.678 -12.773 1.00 0.00 O ATOM 464 CB ARG A 31 6.564 -3.074 -13.260 1.00 0.00 C ATOM 465 CG ARG A 31 5.259 -2.843 -12.515 1.00 0.00 C ATOM 466 CD ARG A 31 4.195 -3.848 -12.929 1.00 0.00 C ATOM 467 NE ARG A 31 3.388 -3.361 -14.045 1.00 0.00 N ATOM 468 CZ ARG A 31 2.242 -3.918 -14.420 1.00 0.00 C ATOM 469 NH1 ARG A 31 1.772 -4.976 -13.774 1.00 0.00 N ATOM 470 NH2 ARG A 31 1.565 -3.418 -15.446 1.00 0.00 N ATOM 0 H ARG A 31 6.888 -3.934 -10.973 1.00 0.00 H new ATOM 0 HA ARG A 31 8.686 -3.158 -12.929 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.568 -2.467 -14.165 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.613 -4.116 -13.575 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.434 -2.918 -11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.902 -1.832 -12.710 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.672 -4.787 -13.209 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.547 -4.061 -12.079 1.00 0.00 H new ATOM 0 HE ARG A 31 3.723 -2.549 -14.564 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.291 -5.365 -12.986 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.892 -5.401 -14.065 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.925 -2.606 -15.947 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.685 -3.846 -15.734 1.00 0.00 H new ATOM 484 N ASP A 32 6.987 -0.569 -11.747 1.00 0.00 N ATOM 485 CA ASP A 32 7.026 0.881 -11.585 1.00 0.00 C ATOM 486 C ASP A 32 8.240 1.303 -10.766 1.00 0.00 C ATOM 487 O ASP A 32 9.121 2.010 -11.259 1.00 0.00 O ATOM 488 CB ASP A 32 5.744 1.375 -10.913 1.00 0.00 C ATOM 489 CG ASP A 32 4.540 1.291 -11.830 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.587 1.885 -12.929 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.550 0.630 -11.451 1.00 0.00 O ATOM 0 H ASP A 32 6.146 -1.012 -11.377 1.00 0.00 H new ATOM 0 HA ASP A 32 7.104 1.331 -12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.556 0.784 -10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.881 2.407 -10.591 1.00 0.00 H new ATOM 496 N LEU A 33 8.281 0.868 -9.511 1.00 0.00 N ATOM 497 CA LEU A 33 9.389 1.201 -8.620 1.00 0.00 C ATOM 498 C LEU A 33 10.713 0.696 -9.185 1.00 0.00 C ATOM 499 O LEU A 33 11.784 1.111 -8.748 1.00 0.00 O ATOM 500 CB LEU A 33 9.151 0.604 -7.233 1.00 0.00 C ATOM 501 CG LEU A 33 8.001 1.212 -6.428 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.750 0.405 -5.164 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.299 2.664 -6.086 1.00 0.00 C ATOM 0 H LEU A 33 7.560 0.284 -9.087 1.00 0.00 H new ATOM 0 HA LEU A 33 9.442 2.286 -8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.964 -0.464 -7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.068 0.707 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 33 7.099 1.182 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.929 0.852 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.491 -0.619 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.650 0.403 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.470 3.080 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.213 2.718 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.428 3.235 -7.005 1.00 0.00 H new ATOM 515 N ASN A 34 10.629 -0.202 -10.160 1.00 0.00 N ATOM 516 CA ASN A 34 11.821 -0.764 -10.786 1.00 0.00 C ATOM 517 C ASN A 34 12.626 -1.587 -9.783 1.00 0.00 C ATOM 518 O ASN A 34 13.857 -1.580 -9.805 1.00 0.00 O ATOM 519 CB ASN A 34 12.693 0.352 -11.363 1.00 0.00 C ATOM 520 CG ASN A 34 13.745 -0.172 -12.322 1.00 0.00 C ATOM 521 OD1 ASN A 34 13.553 -1.203 -12.968 1.00 0.00 O ATOM 522 ND2 ASN A 34 14.864 0.536 -12.418 1.00 0.00 N ATOM 0 H ASN A 34 9.749 -0.557 -10.534 1.00 0.00 H new ATOM 0 HA ASN A 34 11.501 -1.421 -11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.060 1.073 -11.881 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.182 0.885 -10.548 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.608 0.232 -13.046 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.980 1.384 -11.864 1.00 0.00 H new ATOM 529 N LEU A 35 11.921 -2.295 -8.908 1.00 0.00 N ATOM 530 CA LEU A 35 12.569 -3.124 -7.897 1.00 0.00 C ATOM 531 C LEU A 35 13.299 -4.298 -8.541 1.00 0.00 C ATOM 532 O LEU A 35 13.002 -4.679 -9.674 1.00 0.00 O ATOM 533 CB LEU A 35 11.536 -3.640 -6.893 1.00 0.00 C ATOM 534 CG LEU A 35 10.569 -2.598 -6.331 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.341 -3.274 -5.741 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.261 -1.738 -5.283 1.00 0.00 C ATOM 0 H LEU A 35 10.902 -2.312 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 35 13.300 -2.509 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.953 -4.426 -7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.067 -4.101 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 35 10.247 -1.952 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.664 -2.517 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.833 -3.846 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.646 -3.944 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.557 -1.002 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.612 -2.370 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.109 -1.225 -5.736 1.00 0.00 H new ATOM 548 N GLU A 36 14.253 -4.868 -7.812 1.00 0.00 N ATOM 549 CA GLU A 36 15.023 -6.000 -8.313 1.00 0.00 C ATOM 550 C GLU A 36 14.314 -7.316 -8.013 1.00 0.00 C ATOM 551 O GLU A 36 14.219 -7.734 -6.859 1.00 0.00 O ATOM 552 CB GLU A 36 16.422 -6.008 -7.692 1.00 0.00 C ATOM 553 CG GLU A 36 17.454 -5.249 -8.508 1.00 0.00 C ATOM 554 CD GLU A 36 18.169 -6.133 -9.512 1.00 0.00 C ATOM 555 OE1 GLU A 36 19.024 -6.939 -9.089 1.00 0.00 O ATOM 556 OE2 GLU A 36 17.874 -6.018 -10.720 1.00 0.00 O ATOM 0 H GLU A 36 14.511 -4.565 -6.873 1.00 0.00 H new ATOM 0 HA GLU A 36 15.114 -5.895 -9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.370 -5.574 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.752 -7.040 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.964 -4.430 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.187 -4.803 -7.836 1.00 0.00 H new ATOM 563 N ARG A 37 13.816 -7.966 -9.061 1.00 0.00 N ATOM 564 CA ARG A 37 13.113 -9.234 -8.910 1.00 0.00 C ATOM 565 C ARG A 37 13.713 -10.056 -7.773 1.00 0.00 C ATOM 566 O ARG A 37 13.006 -10.796 -7.088 1.00 0.00 O ATOM 567 CB ARG A 37 13.170 -10.031 -10.214 1.00 0.00 C ATOM 568 CG ARG A 37 14.584 -10.289 -10.710 1.00 0.00 C ATOM 569 CD ARG A 37 15.085 -9.149 -11.583 1.00 0.00 C ATOM 570 NE ARG A 37 16.209 -9.555 -12.422 1.00 0.00 N ATOM 571 CZ ARG A 37 16.807 -8.748 -13.291 1.00 0.00 C ATOM 572 NH1 ARG A 37 16.391 -7.497 -13.434 1.00 0.00 N ATOM 573 NH2 ARG A 37 17.824 -9.192 -14.019 1.00 0.00 N ATOM 0 H ARG A 37 13.887 -7.635 -10.023 1.00 0.00 H new ATOM 0 HA ARG A 37 12.072 -9.017 -8.669 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.665 -10.986 -10.068 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.617 -9.492 -10.983 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.252 -10.417 -9.858 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.608 -11.220 -11.276 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.272 -8.792 -12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 37 15.388 -8.314 -10.951 1.00 0.00 H new ATOM 0 HE ARG A 37 16.554 -10.511 -12.336 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.610 -7.152 -12.876 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.852 -6.879 -14.102 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.147 -10.154 -13.911 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.283 -8.572 -14.686 1.00 0.00 H new ATOM 587 N ASP A 38 15.020 -9.921 -7.578 1.00 0.00 N ATOM 588 CA ASP A 38 15.715 -10.650 -6.523 1.00 0.00 C ATOM 589 C ASP A 38 15.802 -9.813 -5.250 1.00 0.00 C ATOM 590 O ASP A 38 15.348 -10.233 -4.187 1.00 0.00 O ATOM 591 CB ASP A 38 17.118 -11.045 -6.986 1.00 0.00 C ATOM 592 CG ASP A 38 17.703 -12.175 -6.162 1.00 0.00 C ATOM 593 OD1 ASP A 38 17.551 -12.147 -4.923 1.00 0.00 O ATOM 594 OD2 ASP A 38 18.312 -13.089 -6.757 1.00 0.00 O ATOM 0 H ASP A 38 15.620 -9.314 -8.136 1.00 0.00 H new ATOM 0 HA ASP A 38 15.146 -11.553 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.081 -11.345 -8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.775 -10.177 -6.926 1.00 0.00 H new ATOM 599 N ASN A 39 16.391 -8.627 -5.368 1.00 0.00 N ATOM 600 CA ASN A 39 16.539 -7.732 -4.226 1.00 0.00 C ATOM 601 C ASN A 39 15.251 -6.954 -3.974 1.00 0.00 C ATOM 602 O ASN A 39 15.277 -5.737 -3.788 1.00 0.00 O ATOM 603 CB ASN A 39 17.698 -6.761 -4.461 1.00 0.00 C ATOM 604 CG ASN A 39 19.048 -7.392 -4.183 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.170 -8.044 -3.032 1.00 0.00 O flip ATOM 606 ND2 ASN A 39 19.969 -7.296 -4.993 1.00 0.00 N flip ATOM 0 H ASN A 39 16.773 -8.264 -6.241 1.00 0.00 H new ATOM 0 HA ASN A 39 16.754 -8.338 -3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.670 -6.410 -5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.571 -5.887 -3.823 1.00 0.00 H new ATOM 0 HD21 ASN A 39 19.830 -6.785 -5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 39 20.871 -7.727 -4.793 1.00 0.00 H new ATOM 613 N GLN A 40 14.129 -7.666 -3.967 1.00 0.00 N ATOM 614 CA GLN A 40 12.831 -7.041 -3.737 1.00 0.00 C ATOM 615 C GLN A 40 12.528 -6.949 -2.246 1.00 0.00 C ATOM 616 O GLN A 40 12.134 -5.896 -1.747 1.00 0.00 O ATOM 617 CB GLN A 40 11.729 -7.830 -4.446 1.00 0.00 C ATOM 618 CG GLN A 40 11.401 -7.304 -5.835 1.00 0.00 C ATOM 619 CD GLN A 40 10.880 -8.385 -6.760 1.00 0.00 C ATOM 620 OE1 GLN A 40 11.031 -9.577 -6.488 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.263 -7.975 -7.862 1.00 0.00 N ATOM 0 H GLN A 40 14.092 -8.674 -4.118 1.00 0.00 H new ATOM 0 HA GLN A 40 12.865 -6.031 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.034 -8.874 -4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.826 -7.807 -3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.657 -6.512 -5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.295 -6.858 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.160 -6.977 -8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.892 -8.658 -8.523 1.00 0.00 H new ATOM 630 N GLU A 41 12.714 -8.060 -1.539 1.00 0.00 N ATOM 631 CA GLU A 41 12.458 -8.104 -0.104 1.00 0.00 C ATOM 632 C GLU A 41 13.498 -7.288 0.659 1.00 0.00 C ATOM 633 O GLU A 41 13.172 -6.598 1.625 1.00 0.00 O ATOM 634 CB GLU A 41 12.464 -9.551 0.393 1.00 0.00 C ATOM 635 CG GLU A 41 13.778 -10.273 0.148 1.00 0.00 C ATOM 636 CD GLU A 41 13.601 -11.770 -0.010 1.00 0.00 C ATOM 637 OE1 GLU A 41 13.652 -12.486 1.012 1.00 0.00 O ATOM 638 OE2 GLU A 41 13.410 -12.227 -1.157 1.00 0.00 O ATOM 0 H GLU A 41 13.041 -8.941 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 41 11.475 -7.669 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.248 -9.560 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.661 -10.099 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.248 -9.870 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.456 -10.077 0.978 1.00 0.00 H new ATOM 645 N GLN A 42 14.748 -7.372 0.217 1.00 0.00 N ATOM 646 CA GLN A 42 15.836 -6.643 0.859 1.00 0.00 C ATOM 647 C GLN A 42 15.426 -5.202 1.151 1.00 0.00 C ATOM 648 O GLN A 42 16.007 -4.545 2.015 1.00 0.00 O ATOM 649 CB GLN A 42 17.083 -6.662 -0.026 1.00 0.00 C ATOM 650 CG GLN A 42 16.976 -5.764 -1.248 1.00 0.00 C ATOM 651 CD GLN A 42 18.318 -5.216 -1.690 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.355 -5.856 -1.504 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.308 -4.026 -2.278 1.00 0.00 N ATOM 0 H GLN A 42 15.033 -7.937 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 42 16.063 -7.136 1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.944 -6.353 0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.271 -7.685 -0.352 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.529 -6.326 -2.069 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.304 -4.934 -1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.426 -3.531 -2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.182 -3.607 -2.596 1.00 0.00 H new ATOM 662 N TYR A 43 14.426 -4.718 0.424 1.00 0.00 N ATOM 663 CA TYR A 43 13.941 -3.354 0.603 1.00 0.00 C ATOM 664 C TYR A 43 13.164 -3.220 1.909 1.00 0.00 C ATOM 665 O TYR A 43 12.766 -4.216 2.516 1.00 0.00 O ATOM 666 CB TYR A 43 13.055 -2.948 -0.575 1.00 0.00 C ATOM 667 CG TYR A 43 13.829 -2.620 -1.831 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.811 -1.636 -1.829 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.580 -3.294 -3.020 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.521 -1.333 -2.974 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.287 -2.999 -4.170 1.00 0.00 C ATOM 672 CZ TYR A 43 15.256 -2.018 -4.142 1.00 0.00 C ATOM 673 OH TYR A 43 15.961 -1.720 -5.286 1.00 0.00 O ATOM 0 H TYR A 43 13.935 -5.249 -0.295 1.00 0.00 H new ATOM 0 HA TYR A 43 14.804 -2.690 0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.357 -3.757 -0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.459 -2.081 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.022 -1.099 -0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.821 -4.062 -3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.279 -0.564 -2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.082 -3.534 -5.086 1.00 0.00 H new ATOM 0 HH TYR A 43 15.653 -2.293 -6.019 1.00 0.00 H new ATOM 683 N THR A 44 12.950 -1.979 2.337 1.00 0.00 N ATOM 684 CA THR A 44 12.222 -1.711 3.571 1.00 0.00 C ATOM 685 C THR A 44 11.005 -0.832 3.311 1.00 0.00 C ATOM 686 O THR A 44 11.030 0.041 2.442 1.00 0.00 O ATOM 687 CB THR A 44 13.122 -1.027 4.618 1.00 0.00 C ATOM 688 OG1 THR A 44 13.655 0.190 4.084 1.00 0.00 O ATOM 689 CG2 THR A 44 14.260 -1.945 5.036 1.00 0.00 C ATOM 0 H THR A 44 13.271 -1.144 1.847 1.00 0.00 H new ATOM 0 HA THR A 44 11.894 -2.675 3.960 1.00 0.00 H new ATOM 0 HB THR A 44 12.516 -0.804 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.225 0.620 4.756 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.882 -1.440 5.776 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.851 -2.858 5.468 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.864 -2.195 4.164 1.00 0.00 H new ATOM 697 N THR A 45 9.938 -1.067 4.069 1.00 0.00 N ATOM 698 CA THR A 45 8.710 -0.296 3.921 1.00 0.00 C ATOM 699 C THR A 45 9.012 1.158 3.574 1.00 0.00 C ATOM 700 O THR A 45 8.272 1.794 2.822 1.00 0.00 O ATOM 701 CB THR A 45 7.860 -0.340 5.204 1.00 0.00 C ATOM 702 OG1 THR A 45 8.648 0.065 6.329 1.00 0.00 O ATOM 703 CG2 THR A 45 7.310 -1.738 5.441 1.00 0.00 C ATOM 0 H THR A 45 9.900 -1.786 4.792 1.00 0.00 H new ATOM 0 HA THR A 45 8.147 -0.752 3.106 1.00 0.00 H new ATOM 0 HB THR A 45 7.023 0.347 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.099 0.036 7.140 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.713 -1.744 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.686 -2.032 4.597 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.136 -2.442 5.543 1.00 0.00 H new ATOM 711 N ILE A 46 10.102 1.679 4.128 1.00 0.00 N ATOM 712 CA ILE A 46 10.502 3.058 3.875 1.00 0.00 C ATOM 713 C ILE A 46 10.969 3.239 2.435 1.00 0.00 C ATOM 714 O ILE A 46 10.297 3.885 1.632 1.00 0.00 O ATOM 715 CB ILE A 46 11.628 3.501 4.828 1.00 0.00 C ATOM 716 CG1 ILE A 46 11.223 3.249 6.283 1.00 0.00 C ATOM 717 CG2 ILE A 46 11.957 4.970 4.612 1.00 0.00 C ATOM 718 CD1 ILE A 46 11.570 1.860 6.773 1.00 0.00 C ATOM 0 H ILE A 46 10.723 1.167 4.754 1.00 0.00 H new ATOM 0 HA ILE A 46 9.624 3.679 4.050 1.00 0.00 H new ATOM 0 HB ILE A 46 12.520 2.913 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.713 3.984 6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.149 3.404 6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.754 5.268 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.282 5.122 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.070 5.574 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.255 1.751 7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.058 1.119 6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.647 1.708 6.703 1.00 0.00 H new ATOM 730 N GLN A 47 12.125 2.666 2.117 1.00 0.00 N ATOM 731 CA GLN A 47 12.681 2.764 0.773 1.00 0.00 C ATOM 732 C GLN A 47 11.599 2.554 -0.281 1.00 0.00 C ATOM 733 O GLN A 47 11.568 3.246 -1.299 1.00 0.00 O ATOM 734 CB GLN A 47 13.799 1.736 0.583 1.00 0.00 C ATOM 735 CG GLN A 47 14.944 1.897 1.570 1.00 0.00 C ATOM 736 CD GLN A 47 16.271 1.430 1.002 1.00 0.00 C ATOM 737 OE1 GLN A 47 17.033 2.222 0.444 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.555 0.141 1.142 1.00 0.00 N ATOM 0 H GLN A 47 12.694 2.129 2.771 1.00 0.00 H new ATOM 0 HA GLN A 47 13.093 3.766 0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.382 0.734 0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.190 1.819 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.025 2.945 1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.721 1.332 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.894 -0.479 1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.434 -0.230 0.781 1.00 0.00 H new ATOM 747 N ILE A 48 10.713 1.595 -0.030 1.00 0.00 N ATOM 748 CA ILE A 48 9.629 1.296 -0.958 1.00 0.00 C ATOM 749 C ILE A 48 8.609 2.429 -0.996 1.00 0.00 C ATOM 750 O ILE A 48 8.098 2.783 -2.058 1.00 0.00 O ATOM 751 CB ILE A 48 8.911 -0.013 -0.580 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.840 -1.210 -0.796 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.635 -0.171 -1.395 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.315 -1.355 -2.224 1.00 0.00 C ATOM 0 H ILE A 48 10.725 1.013 0.807 1.00 0.00 H new ATOM 0 HA ILE A 48 10.080 1.183 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 48 8.642 0.028 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.706 -1.110 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.320 -2.121 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.138 -1.101 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.970 0.669 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.882 -0.195 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.969 -2.223 -2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.456 -1.486 -2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.863 -0.460 -2.518 1.00 0.00 H new ATOM 766 N ALA A 49 8.319 2.996 0.170 1.00 0.00 N ATOM 767 CA ALA A 49 7.364 4.092 0.271 1.00 0.00 C ATOM 768 C ALA A 49 7.892 5.346 -0.418 1.00 0.00 C ATOM 769 O ALA A 49 7.254 5.884 -1.322 1.00 0.00 O ATOM 770 CB ALA A 49 7.046 4.385 1.730 1.00 0.00 C ATOM 0 H ALA A 49 8.732 2.714 1.059 1.00 0.00 H new ATOM 0 HA ALA A 49 6.448 3.788 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.331 5.206 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.617 3.497 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.961 4.662 2.253 1.00 0.00 H new ATOM 776 N ASN A 50 9.061 5.806 0.016 1.00 0.00 N ATOM 777 CA ASN A 50 9.674 6.998 -0.559 1.00 0.00 C ATOM 778 C ASN A 50 9.599 6.968 -2.082 1.00 0.00 C ATOM 779 O ASN A 50 9.060 7.882 -2.706 1.00 0.00 O ATOM 780 CB ASN A 50 11.133 7.112 -0.112 1.00 0.00 C ATOM 781 CG ASN A 50 11.261 7.517 1.344 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.380 6.530 2.224 1.00 0.00 O flip ATOM 783 ND2 ASN A 50 11.253 8.703 1.674 1.00 0.00 N flip ATOM 0 H ASN A 50 9.602 5.372 0.763 1.00 0.00 H new ATOM 0 HA ASN A 50 9.122 7.868 -0.203 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.633 6.156 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.645 7.844 -0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.159 9.429 0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.340 8.959 2.657 1.00 0.00 H new ATOM 790 N MET A 51 10.142 5.909 -2.676 1.00 0.00 N ATOM 791 CA MET A 51 10.135 5.758 -4.126 1.00 0.00 C ATOM 792 C MET A 51 8.726 5.940 -4.685 1.00 0.00 C ATOM 793 O MET A 51 8.546 6.477 -5.776 1.00 0.00 O ATOM 794 CB MET A 51 10.680 4.385 -4.520 1.00 0.00 C ATOM 795 CG MET A 51 12.172 4.231 -4.279 1.00 0.00 C ATOM 796 SD MET A 51 12.929 3.005 -5.362 1.00 0.00 S ATOM 797 CE MET A 51 12.979 1.580 -4.280 1.00 0.00 C ATOM 0 H MET A 51 10.592 5.143 -2.175 1.00 0.00 H new ATOM 0 HA MET A 51 10.777 6.530 -4.550 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.148 3.617 -3.958 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.471 4.209 -5.575 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.661 5.193 -4.429 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.341 3.946 -3.241 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.423 0.737 -4.809 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.578 1.812 -3.400 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.966 1.322 -3.971 1.00 0.00 H new ATOM 807 N MET A 52 7.732 5.487 -3.927 1.00 0.00 N ATOM 808 CA MET A 52 6.340 5.600 -4.348 1.00 0.00 C ATOM 809 C MET A 52 5.838 7.031 -4.182 1.00 0.00 C ATOM 810 O MET A 52 5.069 7.526 -5.007 1.00 0.00 O ATOM 811 CB MET A 52 5.462 4.642 -3.539 1.00 0.00 C ATOM 812 CG MET A 52 5.616 3.185 -3.948 1.00 0.00 C ATOM 813 SD MET A 52 4.404 2.111 -3.156 1.00 0.00 S ATOM 814 CE MET A 52 2.965 2.413 -4.177 1.00 0.00 C ATOM 0 H MET A 52 7.864 5.039 -3.020 1.00 0.00 H new ATOM 0 HA MET A 52 6.281 5.333 -5.403 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.708 4.742 -2.482 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.418 4.935 -3.653 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.516 3.103 -5.030 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.620 2.844 -3.693 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.088 2.537 -3.542 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.119 3.318 -4.764 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.811 1.567 -4.847 1.00 0.00 H new ATOM 824 N GLU A 53 6.276 7.688 -3.114 1.00 0.00 N ATOM 825 CA GLU A 53 5.868 9.061 -2.842 1.00 0.00 C ATOM 826 C GLU A 53 6.226 9.976 -4.010 1.00 0.00 C ATOM 827 O GLU A 53 5.486 10.904 -4.334 1.00 0.00 O ATOM 828 CB GLU A 53 6.530 9.569 -1.559 1.00 0.00 C ATOM 829 CG GLU A 53 5.726 9.277 -0.303 1.00 0.00 C ATOM 830 CD GLU A 53 4.590 10.259 -0.095 1.00 0.00 C ATOM 831 OE1 GLU A 53 4.653 11.368 -0.666 1.00 0.00 O ATOM 832 OE2 GLU A 53 3.638 9.920 0.638 1.00 0.00 O ATOM 0 H GLU A 53 6.913 7.292 -2.423 1.00 0.00 H new ATOM 0 HA GLU A 53 4.786 9.073 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.516 9.113 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.683 10.645 -1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.321 8.267 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.388 9.305 0.562 1.00 0.00 H new ATOM 839 N GLU A 54 7.368 9.707 -4.636 1.00 0.00 N ATOM 840 CA GLU A 54 7.825 10.507 -5.765 1.00 0.00 C ATOM 841 C GLU A 54 7.211 10.008 -7.069 1.00 0.00 C ATOM 842 O GLU A 54 6.726 10.794 -7.883 1.00 0.00 O ATOM 843 CB GLU A 54 9.352 10.470 -5.860 1.00 0.00 C ATOM 844 CG GLU A 54 10.051 11.139 -4.689 1.00 0.00 C ATOM 845 CD GLU A 54 11.475 11.547 -5.015 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.347 10.655 -5.083 1.00 0.00 O ATOM 847 OE2 GLU A 54 11.717 12.757 -5.202 1.00 0.00 O ATOM 0 H GLU A 54 7.992 8.942 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 54 7.503 11.536 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.679 9.432 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.662 10.958 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.484 12.020 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.058 10.458 -3.838 1.00 0.00 H new ATOM 854 N LYS A 55 7.236 8.693 -7.263 1.00 0.00 N ATOM 855 CA LYS A 55 6.682 8.085 -8.467 1.00 0.00 C ATOM 856 C LYS A 55 5.271 8.600 -8.737 1.00 0.00 C ATOM 857 O LYS A 55 4.992 9.142 -9.806 1.00 0.00 O ATOM 858 CB LYS A 55 6.662 6.561 -8.332 1.00 0.00 C ATOM 859 CG LYS A 55 8.016 5.913 -8.563 1.00 0.00 C ATOM 860 CD LYS A 55 8.309 5.748 -10.046 1.00 0.00 C ATOM 861 CE LYS A 55 7.545 4.574 -10.637 1.00 0.00 C ATOM 862 NZ LYS A 55 7.845 4.391 -12.085 1.00 0.00 N ATOM 0 H LYS A 55 7.635 8.028 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 55 7.318 8.361 -9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.308 6.297 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.946 6.151 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.795 6.521 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.042 4.939 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.040 6.662 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.379 5.598 -10.192 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.801 3.664 -10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.475 4.733 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.955 4.348 -12.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.415 5.191 -12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.374 3.506 -12.221 1.00 0.00 H new ATOM 876 N PHE A 56 4.387 8.429 -7.759 1.00 0.00 N ATOM 877 CA PHE A 56 3.005 8.877 -7.892 1.00 0.00 C ATOM 878 C PHE A 56 2.720 10.044 -6.952 1.00 0.00 C ATOM 879 O PHE A 56 2.198 9.874 -5.849 1.00 0.00 O ATOM 880 CB PHE A 56 2.043 7.724 -7.598 1.00 0.00 C ATOM 881 CG PHE A 56 2.605 6.372 -7.936 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.465 5.849 -9.211 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.274 5.626 -6.979 1.00 0.00 C ATOM 884 CE1 PHE A 56 2.981 4.605 -9.524 1.00 0.00 C ATOM 885 CE2 PHE A 56 3.792 4.383 -7.286 1.00 0.00 C ATOM 886 CZ PHE A 56 3.646 3.872 -8.561 1.00 0.00 C ATOM 0 H PHE A 56 4.603 7.984 -6.867 1.00 0.00 H new ATOM 0 HA PHE A 56 2.855 9.214 -8.918 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.777 7.744 -6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.122 7.877 -8.161 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.947 6.419 -9.968 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.392 6.021 -5.981 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.864 4.207 -10.521 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.310 3.811 -6.530 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.051 2.901 -8.804 1.00 0.00 H new ATOM 896 N PRO A 57 3.070 11.260 -7.396 1.00 0.00 N ATOM 897 CA PRO A 57 2.861 12.481 -6.611 1.00 0.00 C ATOM 898 C PRO A 57 1.386 12.843 -6.486 1.00 0.00 C ATOM 899 O PRO A 57 1.036 13.860 -5.886 1.00 0.00 O ATOM 900 CB PRO A 57 3.609 13.550 -7.412 1.00 0.00 C ATOM 901 CG PRO A 57 3.623 13.036 -8.810 1.00 0.00 C ATOM 902 CD PRO A 57 3.696 11.538 -8.700 1.00 0.00 C ATOM 0 HA PRO A 57 3.215 12.373 -5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.106 14.515 -7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.621 13.693 -7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.727 13.345 -9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.477 13.429 -9.362 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.162 11.049 -9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.726 11.182 -8.735 1.00 0.00 H new ATOM 910 N ALA A 58 0.525 12.007 -7.054 1.00 0.00 N ATOM 911 CA ALA A 58 -0.913 12.239 -7.003 1.00 0.00 C ATOM 912 C ALA A 58 -1.530 11.592 -5.767 1.00 0.00 C ATOM 913 O ALA A 58 -2.191 12.259 -4.970 1.00 0.00 O ATOM 914 CB ALA A 58 -1.578 11.711 -8.265 1.00 0.00 C ATOM 0 H ALA A 58 0.798 11.162 -7.556 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.081 13.314 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.652 11.891 -8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.166 12.223 -9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.394 10.640 -8.353 1.00 0.00 H new ATOM 920 N ASP A 59 -1.311 10.291 -5.615 1.00 0.00 N ATOM 921 CA ASP A 59 -1.846 9.554 -4.476 1.00 0.00 C ATOM 922 C ASP A 59 -0.731 9.155 -3.515 1.00 0.00 C ATOM 923 O ASP A 59 -0.990 8.735 -2.387 1.00 0.00 O ATOM 924 CB ASP A 59 -2.594 8.308 -4.953 1.00 0.00 C ATOM 925 CG ASP A 59 -3.399 8.563 -6.212 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.564 8.995 -6.095 1.00 0.00 O ATOM 927 OD2 ASP A 59 -2.863 8.330 -7.317 1.00 0.00 O ATOM 0 H ASP A 59 -0.767 9.725 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.541 10.206 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.878 7.507 -5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.261 7.963 -4.163 1.00 0.00 H new ATOM 932 N SER A 60 0.511 9.288 -3.970 1.00 0.00 N ATOM 933 CA SER A 60 1.667 8.936 -3.153 1.00 0.00 C ATOM 934 C SER A 60 1.639 7.457 -2.779 1.00 0.00 C ATOM 935 O SER A 60 2.117 7.065 -1.716 1.00 0.00 O ATOM 936 CB SER A 60 1.701 9.793 -1.886 1.00 0.00 C ATOM 937 OG SER A 60 1.694 11.174 -2.204 1.00 0.00 O ATOM 0 H SER A 60 0.743 9.637 -4.900 1.00 0.00 H new ATOM 0 HA SER A 60 2.566 9.127 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.841 9.556 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.592 9.555 -1.306 1.00 0.00 H new ATOM 0 HG SER A 60 1.715 11.700 -1.377 1.00 0.00 H new ATOM 943 N GLY A 61 1.072 6.641 -3.663 1.00 0.00 N ATOM 944 CA GLY A 61 0.991 5.214 -3.409 1.00 0.00 C ATOM 945 C GLY A 61 -0.263 4.831 -2.649 1.00 0.00 C ATOM 946 O GLY A 61 -0.584 3.648 -2.522 1.00 0.00 O ATOM 0 H GLY A 61 0.668 6.942 -4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.016 4.677 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.867 4.899 -2.842 1.00 0.00 H new ATOM 950 N LEU A 62 -0.974 5.832 -2.142 1.00 0.00 N ATOM 951 CA LEU A 62 -2.201 5.594 -1.389 1.00 0.00 C ATOM 952 C LEU A 62 -3.183 4.753 -2.198 1.00 0.00 C ATOM 953 O LEU A 62 -3.750 3.785 -1.694 1.00 0.00 O ATOM 954 CB LEU A 62 -2.850 6.923 -1.000 1.00 0.00 C ATOM 955 CG LEU A 62 -4.267 6.838 -0.431 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.256 6.154 0.926 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.885 8.225 -0.327 1.00 0.00 C ATOM 0 H LEU A 62 -0.722 6.816 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.941 5.045 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.213 7.413 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.872 7.565 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.876 6.242 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.273 6.102 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.856 5.146 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.632 6.723 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.893 8.145 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.277 8.846 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.928 8.679 -1.317 1.00 0.00 H new ATOM 969 N GLY A 63 -3.376 5.129 -3.460 1.00 0.00 N ATOM 970 CA GLY A 63 -4.288 4.398 -4.320 1.00 0.00 C ATOM 971 C GLY A 63 -3.771 3.018 -4.673 1.00 0.00 C ATOM 972 O GLY A 63 -4.452 2.016 -4.453 1.00 0.00 O ATOM 0 H GLY A 63 -2.917 5.926 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.254 4.305 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.453 4.966 -5.236 1.00 0.00 H new ATOM 976 N LYS A 64 -2.563 2.964 -5.223 1.00 0.00 N ATOM 977 CA LYS A 64 -1.954 1.696 -5.609 1.00 0.00 C ATOM 978 C LYS A 64 -2.028 0.688 -4.468 1.00 0.00 C ATOM 979 O LYS A 64 -2.210 -0.510 -4.694 1.00 0.00 O ATOM 980 CB LYS A 64 -0.495 1.912 -6.020 1.00 0.00 C ATOM 981 CG LYS A 64 0.008 0.898 -7.032 1.00 0.00 C ATOM 982 CD LYS A 64 -0.483 1.219 -8.434 1.00 0.00 C ATOM 983 CE LYS A 64 0.214 0.362 -9.480 1.00 0.00 C ATOM 984 NZ LYS A 64 -0.013 -1.091 -9.245 1.00 0.00 N ATOM 0 H LYS A 64 -1.986 3.784 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.509 1.298 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.388 2.913 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.134 1.869 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.098 0.882 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.328 -0.099 -6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.560 1.058 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.307 2.273 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.150 0.631 -10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.284 0.570 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.391 -1.637 -10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.446 -1.375 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.034 -1.277 -9.182 1.00 0.00 H new ATOM 998 N LEU A 65 -1.887 1.178 -3.241 1.00 0.00 N ATOM 999 CA LEU A 65 -1.940 0.319 -2.063 1.00 0.00 C ATOM 1000 C LEU A 65 -3.370 -0.126 -1.776 1.00 0.00 C ATOM 1001 O LEU A 65 -3.634 -1.312 -1.578 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.369 1.051 -0.847 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.077 0.188 0.381 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.372 -0.292 1.015 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.195 -0.995 0.004 1.00 0.00 C ATOM 0 H LEU A 65 -1.735 2.166 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.337 -0.566 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.445 1.545 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.070 1.834 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.543 0.796 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.145 -0.905 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.968 0.568 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.933 -0.884 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.003 -1.598 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.703 -1.604 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.748 -0.631 -0.404 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.290 0.833 -1.760 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.695 0.539 -1.502 1.00 0.00 C ATOM 1019 C ILE A 66 -6.178 -0.630 -2.353 1.00 0.00 C ATOM 1020 O ILE A 66 -6.756 -1.586 -1.840 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.586 1.764 -1.778 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.422 2.802 -0.667 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.042 1.341 -1.905 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -6.634 4.226 -1.133 1.00 0.00 C ATOM 0 H ILE A 66 -4.088 1.820 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.773 0.273 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.276 2.216 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.129 2.581 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.422 2.713 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.660 2.218 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.145 0.634 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.366 0.868 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.502 4.907 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.910 4.466 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.643 4.332 -1.531 1.00 0.00 H new ATOM 1036 N GLU A 67 -5.934 -0.544 -3.658 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.343 -1.597 -4.581 1.00 0.00 C ATOM 1038 C GLU A 67 -5.777 -2.947 -4.153 1.00 0.00 C ATOM 1039 O GLU A 67 -6.469 -3.964 -4.193 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.884 -1.266 -6.003 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.638 -0.106 -6.631 1.00 0.00 C ATOM 1042 CD GLU A 67 -6.668 -0.182 -8.145 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -7.591 -0.825 -8.690 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -5.769 0.401 -8.787 1.00 0.00 O ATOM 0 H GLU A 67 -5.456 0.242 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.431 -1.658 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.820 -1.031 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.005 -2.149 -6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.660 -0.093 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.173 0.832 -6.327 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.513 -2.949 -3.744 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.851 -4.173 -3.309 1.00 0.00 C ATOM 1053 C PHE A 68 -4.606 -4.817 -2.150 1.00 0.00 C ATOM 1054 O PHE A 68 -4.644 -6.043 -2.024 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.408 -3.880 -2.893 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.749 -5.019 -2.169 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.398 -6.176 -2.844 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.481 -4.931 -0.812 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.791 -7.226 -2.181 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.874 -5.978 -0.144 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.530 -7.127 -0.829 1.00 0.00 C ATOM 0 H PHE A 68 -3.926 -2.116 -3.705 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.844 -4.869 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.824 -3.639 -3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.395 -2.997 -2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.601 -6.259 -3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.749 -4.035 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.521 -8.122 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.669 -5.898 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.058 -7.947 -0.308 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.204 -3.985 -1.306 1.00 0.00 N ATOM 1072 CA CYS A 69 -5.957 -4.471 -0.155 1.00 0.00 C ATOM 1073 C CYS A 69 -7.293 -5.062 -0.591 1.00 0.00 C ATOM 1074 O CYS A 69 -7.752 -6.059 -0.033 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.187 -3.338 0.845 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.668 -2.620 1.512 1.00 0.00 S ATOM 0 H CYS A 69 -5.182 -2.969 -1.397 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.373 -5.256 0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.765 -2.552 0.360 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.791 -3.714 1.671 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.967 -1.669 2.346 1.00 0.00 H new ATOM 1082 N GLU A 70 -7.912 -4.440 -1.589 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.198 -4.904 -2.097 1.00 0.00 C ATOM 1084 C GLU A 70 -9.099 -6.345 -2.592 1.00 0.00 C ATOM 1085 O GLU A 70 -9.925 -7.188 -2.244 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.682 -3.996 -3.229 1.00 0.00 C ATOM 1087 CG GLU A 70 -9.986 -2.576 -2.783 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.881 -1.836 -3.759 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -11.732 -2.491 -4.395 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -10.729 -0.603 -3.886 1.00 0.00 O ATOM 0 H GLU A 70 -7.544 -3.614 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.918 -4.867 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.923 -3.968 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.579 -4.429 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.465 -2.601 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.051 -2.028 -2.666 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.085 -6.615 -3.407 1.00 0.00 N ATOM 1098 CA GLU A 71 -7.879 -7.952 -3.951 1.00 0.00 C ATOM 1099 C GLU A 71 -7.956 -9.006 -2.849 1.00 0.00 C ATOM 1100 O GLU A 71 -8.311 -10.158 -3.099 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.526 -8.037 -4.660 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.389 -8.473 -3.751 1.00 0.00 C ATOM 1103 CD GLU A 71 -5.202 -9.977 -3.731 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -6.144 -10.697 -4.124 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -4.115 -10.435 -3.322 1.00 0.00 O ATOM 0 H GLU A 71 -7.394 -5.927 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.671 -8.148 -4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.604 -8.738 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.286 -7.063 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.464 -8.000 -4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.584 -8.121 -2.738 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.617 -8.603 -1.628 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.646 -9.510 -0.488 1.00 0.00 C ATOM 1114 C VAL A 72 -8.877 -9.264 0.378 1.00 0.00 C ATOM 1115 O VAL A 72 -9.184 -8.134 0.756 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.382 -9.362 0.381 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.150 -10.620 1.204 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.174 -9.052 -0.488 1.00 0.00 C ATOM 0 H VAL A 72 -7.319 -7.654 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.684 -10.522 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.529 -8.530 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.253 -10.497 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.008 -10.793 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.023 -11.473 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.290 -8.951 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.021 -9.862 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.344 -8.121 -1.028 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.598 -10.347 0.702 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.807 -10.275 1.529 1.00 0.00 C ATOM 1130 C PRO A 73 -10.496 -9.927 2.981 1.00 0.00 C ATOM 1131 O PRO A 73 -11.367 -9.468 3.719 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.389 -11.688 1.431 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.219 -12.559 1.126 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.290 -11.726 0.287 1.00 0.00 C ATOM 0 HA PRO A 73 -11.487 -9.494 1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.870 -11.984 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.145 -11.752 0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.728 -12.888 2.042 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.530 -13.456 0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.246 -11.978 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.469 -11.874 -0.778 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.249 -10.148 3.383 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.823 -9.854 4.747 1.00 0.00 C ATOM 1144 C ALA A 74 -8.236 -8.451 4.848 1.00 0.00 C ATOM 1145 O ALA A 74 -7.827 -8.014 5.925 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.810 -10.888 5.217 1.00 0.00 C ATOM 0 H ALA A 74 -8.516 -10.529 2.785 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.699 -9.900 5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.500 -10.657 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.263 -11.879 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.940 -10.870 4.561 1.00 0.00 H new ATOM 1152 N LEU A 75 -8.194 -7.749 3.721 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.656 -6.393 3.683 1.00 0.00 C ATOM 1154 C LEU A 75 -8.692 -5.410 3.150 1.00 0.00 C ATOM 1155 O LEU A 75 -8.623 -4.212 3.423 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.397 -6.348 2.814 1.00 0.00 C ATOM 1157 CG LEU A 75 -5.212 -7.181 3.304 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -4.075 -7.136 2.294 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.740 -6.689 4.664 1.00 0.00 C ATOM 0 H LEU A 75 -8.526 -8.096 2.821 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.398 -6.102 4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.660 -6.683 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.075 -5.310 2.729 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.538 -8.216 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.240 -7.734 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.419 -7.537 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.750 -6.105 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.896 -7.293 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.431 -5.646 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.554 -6.774 5.384 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.653 -5.925 2.390 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.704 -5.093 1.820 1.00 0.00 C ATOM 1173 C ARG A 76 -11.218 -4.086 2.845 1.00 0.00 C ATOM 1174 O ARG A 76 -11.334 -2.895 2.557 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.860 -5.963 1.320 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.694 -6.431 -0.116 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.790 -7.406 -0.514 1.00 0.00 C ATOM 1178 NE ARG A 76 -14.080 -6.742 -0.679 1.00 0.00 N ATOM 1179 CZ ARG A 76 -15.224 -7.393 -0.863 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -15.237 -8.718 -0.903 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -16.358 -6.719 -1.004 1.00 0.00 N ATOM 0 H ARG A 76 -9.725 -6.915 2.155 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.281 -4.545 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.955 -6.834 1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.790 -5.400 1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.711 -5.570 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.721 -6.908 -0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.515 -7.900 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.877 -8.183 0.245 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.104 -5.723 -0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.368 -9.240 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.116 -9.215 -1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.353 -5.700 -0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.235 -7.220 -1.145 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.525 -4.573 4.042 1.00 0.00 N ATOM 1196 CA LYS A 77 -12.024 -3.718 5.111 1.00 0.00 C ATOM 1197 C LYS A 77 -11.092 -2.534 5.342 1.00 0.00 C ATOM 1198 O LYS A 77 -11.542 -1.418 5.605 1.00 0.00 O ATOM 1199 CB LYS A 77 -12.176 -4.521 6.406 1.00 0.00 C ATOM 1200 CG LYS A 77 -13.276 -4.003 7.317 1.00 0.00 C ATOM 1201 CD LYS A 77 -12.852 -2.732 8.035 1.00 0.00 C ATOM 1202 CE LYS A 77 -13.549 -2.594 9.381 1.00 0.00 C ATOM 1203 NZ LYS A 77 -14.969 -2.174 9.230 1.00 0.00 N ATOM 0 H LYS A 77 -11.437 -5.557 4.296 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.000 -3.336 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.383 -5.562 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.230 -4.505 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.174 -3.809 6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.533 -4.768 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.772 -2.739 8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.084 -1.867 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.506 -3.545 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.018 -1.864 9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.408 -2.091 10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.009 -1.254 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.483 -2.883 8.669 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.790 -2.783 5.241 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.795 -1.736 5.437 1.00 0.00 C ATOM 1219 C ARG A 78 -8.803 -0.750 4.272 1.00 0.00 C ATOM 1220 O ARG A 78 -8.709 0.460 4.470 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.402 -2.350 5.590 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.433 -1.475 6.368 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.756 -1.470 7.854 1.00 0.00 C ATOM 1224 NE ARG A 78 -6.598 -2.793 8.454 1.00 0.00 N ATOM 1225 CZ ARG A 78 -6.761 -3.038 9.749 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -7.086 -2.054 10.576 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -6.599 -4.267 10.218 1.00 0.00 N ATOM 0 H ARG A 78 -9.400 -3.700 5.025 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.049 -1.195 6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.492 -3.313 6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.989 -2.544 4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.415 -1.834 6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.472 -0.456 5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.104 -0.761 8.364 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.780 -1.125 8.001 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.349 -3.572 7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.211 -1.107 10.218 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.211 -2.244 11.570 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.349 -5.026 9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.724 -4.454 11.213 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.916 -1.279 3.058 1.00 0.00 N ATOM 1242 CA ALA A 79 -8.939 -0.447 1.862 1.00 0.00 C ATOM 1243 C ALA A 79 -10.045 0.600 1.942 1.00 0.00 C ATOM 1244 O ALA A 79 -9.793 1.795 1.785 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.116 -1.310 0.621 1.00 0.00 C ATOM 0 H ALA A 79 -8.993 -2.280 2.877 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.984 0.075 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.131 -0.675 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.288 -2.015 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.055 -1.859 0.690 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.269 0.144 2.188 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.413 1.042 2.286 1.00 0.00 C ATOM 1253 C GLU A 80 -12.161 2.132 3.325 1.00 0.00 C ATOM 1254 O GLU A 80 -12.620 3.264 3.176 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.676 0.259 2.650 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.500 -0.655 3.852 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.809 -1.266 4.316 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.663 -0.515 4.831 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.977 -2.494 4.164 1.00 0.00 O ATOM 0 H GLU A 80 -11.494 -0.842 2.323 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.555 1.515 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.483 0.962 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.983 -0.338 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.801 -1.452 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.056 -0.090 4.672 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.429 1.780 4.377 1.00 0.00 N ATOM 1267 CA ILE A 81 -11.116 2.726 5.441 1.00 0.00 C ATOM 1268 C ILE A 81 -10.126 3.784 4.961 1.00 0.00 C ATOM 1269 O ILE A 81 -10.201 4.946 5.360 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.530 2.014 6.674 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.598 1.147 7.344 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.972 3.030 7.658 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -11.046 0.215 8.399 1.00 0.00 C ATOM 0 H ILE A 81 -11.042 0.847 4.515 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.053 3.207 5.721 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.715 1.368 6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.347 1.795 7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -12.107 0.558 6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.562 2.510 8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.185 3.609 7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.769 3.700 7.981 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.859 -0.368 8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.318 -0.458 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.562 0.798 9.182 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.200 3.372 4.102 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.195 4.284 3.566 1.00 0.00 C ATOM 1287 C LEU A 82 -8.826 5.278 2.595 1.00 0.00 C ATOM 1288 O LEU A 82 -8.470 6.457 2.578 1.00 0.00 O ATOM 1289 CB LEU A 82 -7.088 3.498 2.862 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.315 2.503 3.729 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.753 1.376 2.878 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.200 3.211 4.485 1.00 0.00 C ATOM 0 H LEU A 82 -9.124 2.413 3.762 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.763 4.840 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.531 2.954 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.378 4.209 2.439 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.003 2.071 4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.206 0.679 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.570 0.852 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.079 1.788 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.660 2.489 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.513 3.670 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.628 3.982 5.126 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.765 4.795 1.788 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.447 5.640 0.816 1.00 0.00 C ATOM 1306 C LYS A 83 -11.111 6.830 1.501 1.00 0.00 C ATOM 1307 O LYS A 83 -10.970 7.972 1.060 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.497 4.828 0.052 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.902 3.880 -0.974 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.780 2.657 -1.178 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.610 2.074 -2.572 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.416 2.811 -3.584 1.00 0.00 N ATOM 0 H LYS A 83 -10.071 3.822 1.788 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.703 6.016 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.090 4.254 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.179 5.513 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.777 4.401 -1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.910 3.567 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.531 1.901 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.824 2.927 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.557 2.106 -2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.907 1.025 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.273 2.383 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.423 2.759 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.116 3.806 -3.609 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.833 6.558 2.583 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.516 7.607 3.332 1.00 0.00 C ATOM 1328 C LYS A 84 -11.611 8.819 3.517 1.00 0.00 C ATOM 1329 O LYS A 84 -12.004 9.948 3.224 1.00 0.00 O ATOM 1330 CB LYS A 84 -12.964 7.078 4.696 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.837 8.052 5.468 1.00 0.00 C ATOM 1332 CD LYS A 84 -13.001 9.006 6.305 1.00 0.00 C ATOM 1333 CE LYS A 84 -13.869 9.832 7.242 1.00 0.00 C ATOM 1334 NZ LYS A 84 -14.571 8.982 8.243 1.00 0.00 N ATOM 0 H LYS A 84 -11.960 5.619 2.961 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.393 7.914 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.512 6.146 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.083 6.842 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.453 8.621 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.517 7.498 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.273 8.440 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.438 9.670 5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.250 10.565 7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.603 10.389 6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.897 9.574 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.389 8.521 7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.918 8.256 8.601 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.398 8.579 4.005 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.438 9.653 4.229 1.00 0.00 C ATOM 1350 C GLU A 85 -9.051 10.320 2.912 1.00 0.00 C ATOM 1351 O GLU A 85 -8.977 11.546 2.822 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.188 9.114 4.927 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.375 8.881 6.417 1.00 0.00 C ATOM 1354 CD GLU A 85 -7.061 8.689 7.147 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -6.393 7.661 6.908 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -6.699 9.567 7.958 1.00 0.00 O ATOM 0 H GLU A 85 -10.057 7.650 4.253 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.909 10.398 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.895 8.176 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.368 9.816 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.906 9.729 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.002 8.002 6.568 1.00 0.00 H new