USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 676 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 27 GLN : amide:sc= -0.102 X(o=-0.37,f=-0.16) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.267 X(o=-0.37,f=-0.49) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 44:sc= 0.0525 USER MOD Single : A 49 TYR OH : rot 22:sc= 0.103 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -105:sc= 1.14 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -4.82! C(o=-7.8!,f=-4.8!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -2.84 F(o=-4.4!,f=-2.8) USER MOD Single : A 68 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.1) USER MOD Single : A 70 LYS NZ :NH3+ 133:sc= -0.126 (180deg=-0.75) USER MOD Single : A 78 ASN : amide:sc= -0.468 K(o=-0.47,f=-1.5) USER MOD Single : A 80 GLN : amide:sc= -0.0161 K(o=-0.016,f=-1.3) USER MOD Single : A 84 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2) USER MOD Single : A 93 ASN : amide:sc= 1.18 K(o=1.2,f=-0.001) USER MOD Single : A 96 GLN : amide:sc= 0.856 K(o=0.86,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-3.2!) USER MOD Single : A 101 THR OG1 : rot -170:sc= -0.117 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -8.971 -1.959 -15.206 1.00 0.00 N ATOM 119 CA LEU A 13 -9.544 -1.223 -14.085 1.00 0.00 C ATOM 120 C LEU A 13 -8.482 -0.377 -13.390 1.00 0.00 C ATOM 121 O LEU A 13 -8.776 0.693 -12.856 1.00 0.00 O ATOM 122 CB LEU A 13 -10.177 -2.190 -13.084 1.00 0.00 C ATOM 123 CG LEU A 13 -11.499 -2.829 -13.512 1.00 0.00 C ATOM 124 CD1 LEU A 13 -11.314 -3.633 -14.790 1.00 0.00 C ATOM 125 CD2 LEU A 13 -12.050 -3.710 -12.400 1.00 0.00 C ATOM 0 HA LEU A 13 -10.315 -0.558 -14.475 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.462 -2.986 -12.877 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.341 -1.657 -12.148 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.218 -2.034 -13.708 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.265 -4.080 -15.079 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.965 -2.975 -15.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.579 -4.420 -14.621 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.991 -4.156 -12.722 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.333 -4.499 -12.172 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.221 -3.106 -11.509 1.00 0.00 H new ATOM 137 N PHE A 14 -7.245 -0.863 -13.401 1.00 0.00 N ATOM 138 CA PHE A 14 -6.138 -0.151 -12.773 1.00 0.00 C ATOM 139 C PHE A 14 -5.334 0.628 -13.810 1.00 0.00 C ATOM 140 O PHE A 14 -5.472 0.405 -15.012 1.00 0.00 O ATOM 141 CB PHE A 14 -5.225 -1.134 -12.037 1.00 0.00 C ATOM 142 CG PHE A 14 -5.966 -2.085 -11.142 1.00 0.00 C ATOM 143 CD1 PHE A 14 -6.633 -3.178 -11.671 1.00 0.00 C ATOM 144 CD2 PHE A 14 -5.995 -1.887 -9.771 1.00 0.00 C ATOM 145 CE1 PHE A 14 -7.316 -4.055 -10.850 1.00 0.00 C ATOM 146 CE2 PHE A 14 -6.677 -2.761 -8.944 1.00 0.00 C ATOM 147 CZ PHE A 14 -7.337 -3.846 -9.484 1.00 0.00 C ATOM 0 H PHE A 14 -6.984 -1.747 -13.838 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.554 0.556 -12.055 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.655 -1.706 -12.769 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.505 -0.573 -11.441 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.619 -3.347 -12.738 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.479 -1.040 -9.343 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.833 -4.903 -11.275 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.693 -2.595 -7.877 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.869 -4.531 -8.840 1.00 0.00 H new ATOM 157 N GLU A 15 -4.496 1.543 -13.334 1.00 0.00 N ATOM 158 CA GLU A 15 -3.671 2.357 -14.219 1.00 0.00 C ATOM 159 C GLU A 15 -2.244 2.462 -13.690 1.00 0.00 C ATOM 160 O GLU A 15 -2.024 2.772 -12.518 1.00 0.00 O ATOM 161 CB GLU A 15 -4.274 3.755 -14.373 1.00 0.00 C ATOM 162 CG GLU A 15 -4.512 4.463 -13.050 1.00 0.00 C ATOM 163 CD GLU A 15 -4.479 5.974 -13.182 1.00 0.00 C ATOM 164 OE1 GLU A 15 -5.539 6.565 -13.478 1.00 0.00 O ATOM 165 OE2 GLU A 15 -3.395 6.563 -12.991 1.00 0.00 O ATOM 0 H GLU A 15 -4.370 1.739 -12.341 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.643 1.872 -15.195 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.609 4.363 -14.987 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.220 3.677 -14.909 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.478 4.158 -12.648 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.754 4.148 -12.332 1.00 0.00 H new ATOM 172 N THR A 16 -1.274 2.200 -14.562 1.00 0.00 N ATOM 173 CA THR A 16 0.132 2.263 -14.183 1.00 0.00 C ATOM 174 C THR A 16 0.736 3.617 -14.537 1.00 0.00 C ATOM 175 O THR A 16 0.330 4.254 -15.508 1.00 0.00 O ATOM 176 CB THR A 16 0.949 1.153 -14.871 1.00 0.00 C ATOM 177 OG1 THR A 16 0.356 -0.124 -14.610 1.00 0.00 O ATOM 178 CG2 THR A 16 2.389 1.159 -14.381 1.00 0.00 C ATOM 0 H THR A 16 -1.437 1.942 -15.535 1.00 0.00 H new ATOM 0 HA THR A 16 0.176 2.120 -13.103 1.00 0.00 H new ATOM 0 HB THR A 16 0.947 1.342 -15.945 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.880 -0.824 -15.052 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.947 0.367 -14.881 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.846 2.122 -14.607 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.408 0.992 -13.304 1.00 0.00 H new ATOM 186 N TYR A 17 1.710 4.050 -13.744 1.00 0.00 N ATOM 187 CA TYR A 17 2.370 5.330 -13.973 1.00 0.00 C ATOM 188 C TYR A 17 3.814 5.293 -13.484 1.00 0.00 C ATOM 189 O TYR A 17 4.127 4.647 -12.485 1.00 0.00 O ATOM 190 CB TYR A 17 1.609 6.453 -13.267 1.00 0.00 C ATOM 191 CG TYR A 17 1.386 6.200 -11.793 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.357 5.375 -11.357 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.204 6.788 -10.835 1.00 0.00 C ATOM 194 CE1 TYR A 17 0.149 5.141 -10.012 1.00 0.00 C ATOM 195 CE2 TYR A 17 2.005 6.559 -9.488 1.00 0.00 C ATOM 196 CZ TYR A 17 0.976 5.735 -9.081 1.00 0.00 C ATOM 197 OH TYR A 17 0.773 5.506 -7.739 1.00 0.00 O ATOM 0 H TYR A 17 2.060 3.533 -12.937 1.00 0.00 H new ATOM 0 HA TYR A 17 2.374 5.522 -15.046 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.160 7.386 -13.388 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.643 6.588 -13.754 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.292 4.908 -12.083 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.009 7.435 -11.150 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.656 4.497 -9.691 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.651 7.022 -8.757 1.00 0.00 H new ATOM 0 HH TYR A 17 1.442 5.998 -7.218 1.00 0.00 H new ATOM 207 N ASN A 18 4.691 5.993 -14.196 1.00 0.00 N ATOM 208 CA ASN A 18 6.104 6.041 -13.836 1.00 0.00 C ATOM 209 C ASN A 18 6.416 7.296 -13.026 1.00 0.00 C ATOM 210 O ASN A 18 6.012 8.400 -13.391 1.00 0.00 O ATOM 211 CB ASN A 18 6.974 6.003 -15.093 1.00 0.00 C ATOM 212 CG ASN A 18 7.091 4.607 -15.674 1.00 0.00 C ATOM 213 OD1 ASN A 18 8.179 4.034 -15.727 1.00 0.00 O ATOM 214 ND2 ASN A 18 5.967 4.052 -16.112 1.00 0.00 N ATOM 0 H ASN A 18 4.449 6.535 -15.025 1.00 0.00 H new ATOM 0 HA ASN A 18 6.327 5.168 -13.222 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.552 6.672 -15.844 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.969 6.379 -14.854 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.984 3.114 -16.512 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.087 4.564 -16.048 1.00 0.00 H new ATOM 221 N VAL A 19 7.138 7.118 -11.924 1.00 0.00 N ATOM 222 CA VAL A 19 7.506 8.235 -11.063 1.00 0.00 C ATOM 223 C VAL A 19 9.021 8.372 -10.957 1.00 0.00 C ATOM 224 O VAL A 19 9.702 7.474 -10.464 1.00 0.00 O ATOM 225 CB VAL A 19 6.917 8.072 -9.649 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.866 9.413 -8.934 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.534 7.442 -9.718 1.00 0.00 C ATOM 0 H VAL A 19 7.479 6.211 -11.607 1.00 0.00 H new ATOM 0 HA VAL A 19 7.093 9.135 -11.519 1.00 0.00 H new ATOM 0 HB VAL A 19 7.566 7.408 -9.078 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.447 9.278 -7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.874 9.820 -8.852 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.241 10.103 -9.500 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.133 7.334 -8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.873 8.079 -10.306 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.604 6.461 -10.188 1.00 0.00 H new ATOM 237 N GLU A 20 9.542 9.503 -11.425 1.00 0.00 N ATOM 238 CA GLU A 20 10.977 9.756 -11.383 1.00 0.00 C ATOM 239 C GLU A 20 11.341 10.626 -10.183 1.00 0.00 C ATOM 240 O GLU A 20 11.296 11.855 -10.256 1.00 0.00 O ATOM 241 CB GLU A 20 11.435 10.434 -12.676 1.00 0.00 C ATOM 242 CG GLU A 20 12.880 10.902 -12.639 1.00 0.00 C ATOM 243 CD GLU A 20 13.146 12.051 -13.592 1.00 0.00 C ATOM 244 OE1 GLU A 20 12.523 13.119 -13.421 1.00 0.00 O ATOM 245 OE2 GLU A 20 13.977 11.882 -14.509 1.00 0.00 O ATOM 0 H GLU A 20 8.992 10.257 -11.837 1.00 0.00 H new ATOM 0 HA GLU A 20 11.487 8.798 -11.283 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.308 9.738 -13.506 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.790 11.290 -12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.132 11.211 -11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.535 10.068 -12.890 1.00 0.00 H new ATOM 252 N LEU A 21 11.701 9.980 -9.079 1.00 0.00 N ATOM 253 CA LEU A 21 12.073 10.694 -7.862 1.00 0.00 C ATOM 254 C LEU A 21 13.507 11.207 -7.949 1.00 0.00 C ATOM 255 O LEU A 21 14.292 10.751 -8.780 1.00 0.00 O ATOM 256 CB LEU A 21 11.919 9.780 -6.645 1.00 0.00 C ATOM 257 CG LEU A 21 10.550 9.121 -6.470 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.638 7.963 -5.489 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.522 10.141 -6.004 1.00 0.00 C ATOM 0 H LEU A 21 11.743 8.964 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 21 11.407 11.550 -7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.673 8.995 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.138 10.361 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 21 10.230 8.729 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.655 7.506 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.343 7.221 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.980 8.331 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.554 9.654 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.835 10.563 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.439 10.938 -6.743 1.00 0.00 H new ATOM 271 N VAL A 22 13.843 12.157 -7.082 1.00 0.00 N ATOM 272 CA VAL A 22 15.183 12.731 -7.057 1.00 0.00 C ATOM 273 C VAL A 22 15.835 12.547 -5.692 1.00 0.00 C ATOM 274 O VAL A 22 15.170 12.633 -4.659 1.00 0.00 O ATOM 275 CB VAL A 22 15.158 14.231 -7.404 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.366 15.007 -6.363 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.575 14.774 -7.522 1.00 0.00 C ATOM 0 H VAL A 22 13.205 12.545 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 22 15.767 12.202 -7.809 1.00 0.00 H new ATOM 0 HB VAL A 22 14.664 14.355 -8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.359 16.065 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.342 14.634 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.828 14.879 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.539 15.835 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.097 14.638 -6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.106 14.238 -8.308 1.00 0.00 H new ATOM 287 N ARG A 23 17.139 12.293 -5.694 1.00 0.00 N ATOM 288 CA ARG A 23 17.882 12.096 -4.454 1.00 0.00 C ATOM 289 C ARG A 23 18.916 13.201 -4.259 1.00 0.00 C ATOM 290 O ARG A 23 19.978 13.189 -4.882 1.00 0.00 O ATOM 291 CB ARG A 23 18.572 10.731 -4.460 1.00 0.00 C ATOM 292 CG ARG A 23 17.617 9.567 -4.664 1.00 0.00 C ATOM 293 CD ARG A 23 18.123 8.305 -3.983 1.00 0.00 C ATOM 294 NE ARG A 23 19.375 7.832 -4.568 1.00 0.00 N ATOM 295 CZ ARG A 23 20.245 7.065 -3.920 1.00 0.00 C ATOM 296 NH1 ARG A 23 20.001 6.687 -2.673 1.00 0.00 N ATOM 297 NH2 ARG A 23 21.363 6.675 -4.520 1.00 0.00 N ATOM 0 H ARG A 23 17.704 12.219 -6.540 1.00 0.00 H new ATOM 0 HA ARG A 23 17.175 12.134 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 23 19.323 10.716 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 23 19.100 10.596 -3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.635 9.827 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 23 17.491 9.381 -5.731 1.00 0.00 H new ATOM 0 HD2 ARG A 23 18.270 8.500 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 23 17.368 7.523 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 23 19.593 8.105 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 23 19.143 6.985 -2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 23 20.671 6.098 -2.178 1.00 0.00 H new ATOM 0 HH21 ARG A 23 21.555 6.964 -5.479 1.00 0.00 H new ATOM 0 HH22 ARG A 23 22.030 6.086 -4.022 1.00 0.00 H new ATOM 311 N LYS A 24 18.599 14.154 -3.390 1.00 0.00 N ATOM 312 CA LYS A 24 19.500 15.266 -3.110 1.00 0.00 C ATOM 313 C LYS A 24 20.861 14.760 -2.643 1.00 0.00 C ATOM 314 O LYS A 24 21.035 13.569 -2.385 1.00 0.00 O ATOM 315 CB LYS A 24 18.894 16.186 -2.048 1.00 0.00 C ATOM 316 CG LYS A 24 17.555 16.780 -2.450 1.00 0.00 C ATOM 317 CD LYS A 24 17.706 17.782 -3.581 1.00 0.00 C ATOM 318 CE LYS A 24 18.291 19.097 -3.087 1.00 0.00 C ATOM 319 NZ LYS A 24 18.906 19.881 -4.193 1.00 0.00 N ATOM 0 H LYS A 24 17.724 14.179 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 24 19.639 15.829 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.770 15.625 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.593 16.996 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.880 15.982 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.099 17.268 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.350 17.364 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.734 17.964 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.507 19.689 -2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.042 18.896 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.293 20.769 -3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.671 19.327 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.184 20.095 -4.910 1.00 0.00 H new ATOM 333 N ASP A 25 21.821 15.671 -2.535 1.00 0.00 N ATOM 334 CA ASP A 25 23.166 15.317 -2.096 1.00 0.00 C ATOM 335 C ASP A 25 23.136 14.688 -0.707 1.00 0.00 C ATOM 336 O ASP A 25 23.324 15.370 0.299 1.00 0.00 O ATOM 337 CB ASP A 25 24.066 16.554 -2.090 1.00 0.00 C ATOM 338 CG ASP A 25 23.397 17.753 -1.447 1.00 0.00 C ATOM 339 OD1 ASP A 25 22.484 18.330 -2.073 1.00 0.00 O ATOM 340 OD2 ASP A 25 23.787 18.113 -0.317 1.00 0.00 O ATOM 0 H ASP A 25 21.693 16.661 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 25 23.570 14.587 -2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 25 24.988 16.326 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.344 16.803 -3.114 1.00 0.00 H new ATOM 345 N GLY A 26 22.896 13.380 -0.660 1.00 0.00 N ATOM 346 CA GLY A 26 22.844 12.681 0.611 1.00 0.00 C ATOM 347 C GLY A 26 21.468 12.120 0.908 1.00 0.00 C ATOM 348 O GLY A 26 21.342 11.006 1.416 1.00 0.00 O ATOM 0 H GLY A 26 22.737 12.793 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.571 11.869 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.135 13.363 1.410 1.00 0.00 H new ATOM 352 N GLN A 27 20.434 12.893 0.592 1.00 0.00 N ATOM 353 CA GLN A 27 19.061 12.467 0.831 1.00 0.00 C ATOM 354 C GLN A 27 18.851 11.026 0.379 1.00 0.00 C ATOM 355 O GLN A 27 19.632 10.493 -0.411 1.00 0.00 O ATOM 356 CB GLN A 27 18.084 13.390 0.101 1.00 0.00 C ATOM 357 CG GLN A 27 16.624 13.095 0.406 1.00 0.00 C ATOM 358 CD GLN A 27 15.721 14.284 0.146 1.00 0.00 C ATOM 359 OE1 GLN A 27 15.583 15.170 0.990 1.00 0.00 O ATOM 360 NE2 GLN A 27 15.100 14.311 -1.027 1.00 0.00 N ATOM 0 H GLN A 27 20.521 13.817 0.170 1.00 0.00 H new ATOM 0 HA GLN A 27 18.872 12.523 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.302 14.423 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.247 13.301 -0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.293 12.253 -0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.529 12.793 1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.243 13.556 -1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.480 15.087 -1.258 1.00 0.00 H new ATOM 369 N SER A 28 17.793 10.400 0.884 1.00 0.00 N ATOM 370 CA SER A 28 17.484 9.018 0.535 1.00 0.00 C ATOM 371 C SER A 28 16.058 8.897 0.007 1.00 0.00 C ATOM 372 O SER A 28 15.314 9.879 -0.036 1.00 0.00 O ATOM 373 CB SER A 28 17.668 8.109 1.752 1.00 0.00 C ATOM 374 OG SER A 28 19.041 7.947 2.064 1.00 0.00 O ATOM 0 H SER A 28 17.135 10.828 1.536 1.00 0.00 H new ATOM 0 HA SER A 28 18.172 8.705 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.145 8.533 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.219 7.136 1.554 1.00 0.00 H new ATOM 0 HG SER A 28 19.132 7.364 2.846 1.00 0.00 H new ATOM 380 N LEU A 29 15.682 7.688 -0.393 1.00 0.00 N ATOM 381 CA LEU A 29 14.344 7.436 -0.918 1.00 0.00 C ATOM 382 C LEU A 29 13.282 7.716 0.141 1.00 0.00 C ATOM 383 O LEU A 29 12.520 8.676 0.032 1.00 0.00 O ATOM 384 CB LEU A 29 14.229 5.990 -1.403 1.00 0.00 C ATOM 385 CG LEU A 29 13.229 5.739 -2.532 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.691 6.413 -3.814 1.00 0.00 C ATOM 387 CD2 LEU A 29 13.036 4.246 -2.751 1.00 0.00 C ATOM 0 H LEU A 29 16.285 6.866 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 29 14.178 8.109 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.213 5.660 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.953 5.364 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 29 12.270 6.170 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.967 6.223 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.776 7.487 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.662 6.012 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.321 4.086 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.990 3.791 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.658 3.790 -1.836 1.00 0.00 H new ATOM 399 N GLY A 30 13.239 6.871 1.167 1.00 0.00 N ATOM 400 CA GLY A 30 12.269 7.046 2.231 1.00 0.00 C ATOM 401 C GLY A 30 10.901 6.506 1.863 1.00 0.00 C ATOM 402 O GLY A 30 9.900 7.217 1.954 1.00 0.00 O ATOM 0 H GLY A 30 13.859 6.069 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.625 6.542 3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.185 8.106 2.471 1.00 0.00 H new ATOM 406 N ILE A 31 10.858 5.245 1.445 1.00 0.00 N ATOM 407 CA ILE A 31 9.603 4.611 1.062 1.00 0.00 C ATOM 408 C ILE A 31 9.479 3.221 1.676 1.00 0.00 C ATOM 409 O ILE A 31 9.961 2.237 1.115 1.00 0.00 O ATOM 410 CB ILE A 31 9.474 4.496 -0.469 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.485 5.886 -1.109 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.204 3.746 -0.839 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.447 5.855 -2.621 1.00 0.00 C ATOM 0 H ILE A 31 11.677 4.643 1.363 1.00 0.00 H new ATOM 0 HA ILE A 31 8.801 5.246 1.440 1.00 0.00 H new ATOM 0 HB ILE A 31 10.327 3.935 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.628 6.452 -0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.380 6.418 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.127 3.673 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.234 2.745 -0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.338 4.282 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.457 6.875 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.318 5.317 -2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.539 5.351 -2.952 1.00 0.00 H new ATOM 425 N ARG A 32 8.827 3.147 2.833 1.00 0.00 N ATOM 426 CA ARG A 32 8.639 1.878 3.524 1.00 0.00 C ATOM 427 C ARG A 32 7.742 0.946 2.715 1.00 0.00 C ATOM 428 O ARG A 32 6.646 1.327 2.302 1.00 0.00 O ATOM 429 CB ARG A 32 8.032 2.111 4.909 1.00 0.00 C ATOM 430 CG ARG A 32 9.055 2.499 5.964 1.00 0.00 C ATOM 431 CD ARG A 32 9.876 1.300 6.412 1.00 0.00 C ATOM 432 NE ARG A 32 9.263 0.609 7.543 1.00 0.00 N ATOM 433 CZ ARG A 32 9.483 -0.670 7.830 1.00 0.00 C ATOM 434 NH1 ARG A 32 10.298 -1.391 7.073 1.00 0.00 N ATOM 435 NH2 ARG A 32 8.889 -1.228 8.876 1.00 0.00 N ATOM 0 H ARG A 32 8.421 3.951 3.311 1.00 0.00 H new ATOM 0 HA ARG A 32 9.616 1.407 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.279 2.896 4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.519 1.204 5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.718 3.266 5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.545 2.934 6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.987 0.605 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.878 1.629 6.688 1.00 0.00 H new ATOM 0 HE ARG A 32 8.632 1.137 8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.758 -0.964 6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.465 -2.372 7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.262 -0.676 9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.059 -2.210 9.095 1.00 0.00 H new ATOM 449 N ILE A 33 8.215 -0.276 2.491 1.00 0.00 N ATOM 450 CA ILE A 33 7.455 -1.261 1.732 1.00 0.00 C ATOM 451 C ILE A 33 6.880 -2.336 2.647 1.00 0.00 C ATOM 452 O ILE A 33 7.384 -2.565 3.747 1.00 0.00 O ATOM 453 CB ILE A 33 8.325 -1.933 0.652 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.525 -2.631 1.295 1.00 0.00 C ATOM 455 CG2 ILE A 33 8.787 -0.905 -0.370 1.00 0.00 C ATOM 456 CD1 ILE A 33 10.105 -3.739 0.445 1.00 0.00 C ATOM 0 H ILE A 33 9.120 -0.607 2.824 1.00 0.00 H new ATOM 0 HA ILE A 33 6.639 -0.725 1.248 1.00 0.00 H new ATOM 0 HB ILE A 33 7.725 -2.684 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.301 -1.892 1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.223 -3.043 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.400 -1.394 -1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.919 -0.449 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.373 -0.134 0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.952 -4.189 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.343 -4.498 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.439 -3.329 -0.508 1.00 0.00 H new ATOM 468 N VAL A 34 5.822 -2.996 2.185 1.00 0.00 N ATOM 469 CA VAL A 34 5.180 -4.050 2.961 1.00 0.00 C ATOM 470 C VAL A 34 5.028 -5.324 2.137 1.00 0.00 C ATOM 471 O VAL A 34 4.826 -5.271 0.925 1.00 0.00 O ATOM 472 CB VAL A 34 3.793 -3.610 3.466 1.00 0.00 C ATOM 473 CG1 VAL A 34 2.789 -3.593 2.323 1.00 0.00 C ATOM 474 CG2 VAL A 34 3.321 -4.522 4.588 1.00 0.00 C ATOM 0 H VAL A 34 5.392 -2.819 1.277 1.00 0.00 H new ATOM 0 HA VAL A 34 5.824 -4.249 3.818 1.00 0.00 H new ATOM 0 HB VAL A 34 3.874 -2.598 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.815 -3.280 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.123 -2.895 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.708 -4.592 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.340 -4.197 4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.256 -5.546 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.029 -4.478 5.415 1.00 0.00 H new ATOM 484 N GLY A 35 5.127 -6.469 2.805 1.00 0.00 N ATOM 485 CA GLY A 35 4.997 -7.741 2.118 1.00 0.00 C ATOM 486 C GLY A 35 3.617 -8.347 2.276 1.00 0.00 C ATOM 487 O GLY A 35 3.153 -8.570 3.395 1.00 0.00 O ATOM 0 H GLY A 35 5.295 -6.539 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.210 -7.601 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.742 -8.437 2.504 1.00 0.00 H new ATOM 491 N TYR A 36 2.958 -8.614 1.154 1.00 0.00 N ATOM 492 CA TYR A 36 1.620 -9.194 1.172 1.00 0.00 C ATOM 493 C TYR A 36 1.554 -10.438 0.292 1.00 0.00 C ATOM 494 O TYR A 36 2.172 -10.495 -0.771 1.00 0.00 O ATOM 495 CB TYR A 36 0.590 -8.166 0.700 1.00 0.00 C ATOM 496 CG TYR A 36 -0.066 -7.404 1.830 1.00 0.00 C ATOM 497 CD1 TYR A 36 0.517 -6.253 2.346 1.00 0.00 C ATOM 498 CD2 TYR A 36 -1.266 -7.835 2.380 1.00 0.00 C ATOM 499 CE1 TYR A 36 -0.078 -5.553 3.379 1.00 0.00 C ATOM 500 CE2 TYR A 36 -1.869 -7.140 3.411 1.00 0.00 C ATOM 501 CZ TYR A 36 -1.271 -6.001 3.907 1.00 0.00 C ATOM 502 OH TYR A 36 -1.867 -5.307 4.936 1.00 0.00 O ATOM 0 H TYR A 36 3.329 -8.438 0.220 1.00 0.00 H new ATOM 0 HA TYR A 36 1.391 -9.484 2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.077 -7.458 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.180 -8.675 0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.450 -5.899 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.736 -8.728 1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.388 -4.661 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.804 -7.487 3.826 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.701 -5.754 5.192 1.00 0.00 H new ATOM 624 N SER A 46 -2.444 -9.047 -3.104 1.00 0.00 N ATOM 625 CA SER A 46 -1.138 -9.606 -2.777 1.00 0.00 C ATOM 626 C SER A 46 -0.038 -8.930 -3.591 1.00 0.00 C ATOM 627 O SER A 46 -0.179 -8.728 -4.797 1.00 0.00 O ATOM 628 CB SER A 46 -1.125 -11.114 -3.034 1.00 0.00 C ATOM 629 OG SER A 46 0.201 -11.609 -3.100 1.00 0.00 O ATOM 0 HA SER A 46 -0.948 -9.424 -1.719 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.668 -11.626 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.644 -11.331 -3.967 1.00 0.00 H new ATOM 0 HG SER A 46 0.734 -11.215 -2.378 1.00 0.00 H new ATOM 635 N GLY A 47 1.058 -8.584 -2.923 1.00 0.00 N ATOM 636 CA GLY A 47 2.165 -7.935 -3.599 1.00 0.00 C ATOM 637 C GLY A 47 2.900 -6.959 -2.703 1.00 0.00 C ATOM 638 O GLY A 47 2.765 -7.006 -1.480 1.00 0.00 O ATOM 0 H GLY A 47 1.199 -8.742 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.863 -8.692 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.792 -7.407 -4.477 1.00 0.00 H new ATOM 642 N ILE A 48 3.682 -6.073 -3.311 1.00 0.00 N ATOM 643 CA ILE A 48 4.442 -5.082 -2.559 1.00 0.00 C ATOM 644 C ILE A 48 3.706 -3.747 -2.509 1.00 0.00 C ATOM 645 O ILE A 48 3.448 -3.130 -3.542 1.00 0.00 O ATOM 646 CB ILE A 48 5.839 -4.863 -3.168 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.671 -6.143 -3.066 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.545 -3.708 -2.473 1.00 0.00 C ATOM 649 CD1 ILE A 48 6.872 -6.620 -1.645 1.00 0.00 C ATOM 0 H ILE A 48 3.806 -6.021 -4.322 1.00 0.00 H new ATOM 0 HA ILE A 48 4.553 -5.471 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 48 5.724 -4.611 -4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.183 -6.931 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.645 -5.971 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.531 -3.566 -2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.958 -2.797 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.652 -3.933 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.470 -7.531 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.388 -5.849 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.903 -6.824 -1.189 1.00 0.00 H new ATOM 661 N TYR A 49 3.373 -3.307 -1.301 1.00 0.00 N ATOM 662 CA TYR A 49 2.666 -2.045 -1.115 1.00 0.00 C ATOM 663 C TYR A 49 3.460 -1.103 -0.216 1.00 0.00 C ATOM 664 O TYR A 49 4.361 -1.528 0.507 1.00 0.00 O ATOM 665 CB TYR A 49 1.282 -2.296 -0.515 1.00 0.00 C ATOM 666 CG TYR A 49 0.429 -3.240 -1.331 1.00 0.00 C ATOM 667 CD1 TYR A 49 0.641 -4.613 -1.287 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.588 -2.761 -2.147 1.00 0.00 C ATOM 669 CE1 TYR A 49 -0.135 -5.480 -2.031 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.370 -3.621 -2.894 1.00 0.00 C ATOM 671 CZ TYR A 49 -1.139 -4.979 -2.833 1.00 0.00 C ATOM 672 OH TYR A 49 -1.915 -5.839 -3.577 1.00 0.00 O ATOM 0 H TYR A 49 3.581 -3.805 -0.436 1.00 0.00 H new ATOM 0 HA TYR A 49 2.551 -1.574 -2.091 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.399 -2.702 0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.761 -1.344 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.426 -5.009 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.771 -1.698 -2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.043 -6.544 -1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.158 -3.232 -3.522 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.874 -6.737 -3.187 1.00 0.00 H new ATOM 682 N VAL A 50 3.118 0.181 -0.266 1.00 0.00 N ATOM 683 CA VAL A 50 3.797 1.185 0.544 1.00 0.00 C ATOM 684 C VAL A 50 3.276 1.178 1.977 1.00 0.00 C ATOM 685 O VAL A 50 2.116 1.505 2.229 1.00 0.00 O ATOM 686 CB VAL A 50 3.622 2.596 -0.048 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.176 3.646 0.902 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.294 2.689 -1.409 1.00 0.00 C ATOM 0 H VAL A 50 2.375 0.550 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 50 4.856 0.929 0.544 1.00 0.00 H new ATOM 0 HB VAL A 50 2.557 2.786 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.044 4.637 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.645 3.593 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.237 3.462 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.161 3.693 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.358 2.478 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.845 1.963 -2.087 1.00 0.00 H new ATOM 698 N LYS A 51 4.141 0.804 2.914 1.00 0.00 N ATOM 699 CA LYS A 51 3.770 0.757 4.323 1.00 0.00 C ATOM 700 C LYS A 51 3.711 2.160 4.918 1.00 0.00 C ATOM 701 O LYS A 51 2.788 2.491 5.662 1.00 0.00 O ATOM 702 CB LYS A 51 4.768 -0.099 5.105 1.00 0.00 C ATOM 703 CG LYS A 51 4.362 -0.342 6.549 1.00 0.00 C ATOM 704 CD LYS A 51 3.131 -1.229 6.640 1.00 0.00 C ATOM 705 CE LYS A 51 1.856 -0.405 6.732 1.00 0.00 C ATOM 706 NZ LYS A 51 1.476 -0.128 8.145 1.00 0.00 N ATOM 0 H LYS A 51 5.104 0.529 2.723 1.00 0.00 H new ATOM 0 HA LYS A 51 2.779 0.309 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.882 -1.059 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.743 0.388 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.188 -0.808 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.161 0.612 7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.084 -1.878 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.211 -1.876 7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.993 0.537 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.044 -0.935 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.602 0.436 8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.320 -1.026 8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.240 0.400 8.613 1.00 0.00 H new ATOM 720 N SER A 52 4.701 2.982 4.584 1.00 0.00 N ATOM 721 CA SER A 52 4.763 4.349 5.087 1.00 0.00 C ATOM 722 C SER A 52 5.648 5.216 4.197 1.00 0.00 C ATOM 723 O SER A 52 6.240 4.733 3.232 1.00 0.00 O ATOM 724 CB SER A 52 5.293 4.363 6.522 1.00 0.00 C ATOM 725 OG SER A 52 4.729 5.431 7.264 1.00 0.00 O ATOM 0 H SER A 52 5.471 2.725 3.967 1.00 0.00 H new ATOM 0 HA SER A 52 3.754 4.760 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.060 3.416 7.008 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.379 4.457 6.511 1.00 0.00 H new ATOM 0 HG SER A 52 5.082 5.417 8.178 1.00 0.00 H new ATOM 731 N VAL A 53 5.733 6.500 4.530 1.00 0.00 N ATOM 732 CA VAL A 53 6.547 7.436 3.763 1.00 0.00 C ATOM 733 C VAL A 53 7.389 8.313 4.682 1.00 0.00 C ATOM 734 O VAL A 53 6.937 9.363 5.140 1.00 0.00 O ATOM 735 CB VAL A 53 5.674 8.337 2.869 1.00 0.00 C ATOM 736 CG1 VAL A 53 6.535 9.341 2.119 1.00 0.00 C ATOM 737 CG2 VAL A 53 4.856 7.495 1.901 1.00 0.00 C ATOM 0 H VAL A 53 5.248 6.916 5.325 1.00 0.00 H new ATOM 0 HA VAL A 53 7.206 6.839 3.132 1.00 0.00 H new ATOM 0 HB VAL A 53 4.984 8.891 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.901 9.968 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.071 9.966 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.251 8.810 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.245 8.148 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.527 6.913 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.209 6.820 2.462 1.00 0.00 H new ATOM 747 N ILE A 54 8.616 7.877 4.946 1.00 0.00 N ATOM 748 CA ILE A 54 9.522 8.623 5.809 1.00 0.00 C ATOM 749 C ILE A 54 9.566 10.097 5.418 1.00 0.00 C ATOM 750 O ILE A 54 9.663 10.449 4.242 1.00 0.00 O ATOM 751 CB ILE A 54 10.950 8.048 5.759 1.00 0.00 C ATOM 752 CG1 ILE A 54 10.970 6.625 6.319 1.00 0.00 C ATOM 753 CG2 ILE A 54 11.909 8.941 6.532 1.00 0.00 C ATOM 754 CD1 ILE A 54 10.461 5.585 5.346 1.00 0.00 C ATOM 0 H ILE A 54 9.005 7.011 4.574 1.00 0.00 H new ATOM 0 HA ILE A 54 9.137 8.530 6.825 1.00 0.00 H new ATOM 0 HB ILE A 54 11.275 8.014 4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.990 6.372 6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.364 6.591 7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.914 8.521 6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.913 9.938 6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.589 9.005 7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.504 4.600 5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.430 5.814 5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.081 5.591 4.450 1.00 0.00 H new ATOM 766 N PRO A 55 9.494 10.979 6.425 1.00 0.00 N ATOM 767 CA PRO A 55 9.526 12.429 6.212 1.00 0.00 C ATOM 768 C PRO A 55 10.895 12.917 5.751 1.00 0.00 C ATOM 769 O PRO A 55 11.904 12.240 5.945 1.00 0.00 O ATOM 770 CB PRO A 55 9.191 12.998 7.593 1.00 0.00 C ATOM 771 CG PRO A 55 9.613 11.939 8.552 1.00 0.00 C ATOM 772 CD PRO A 55 9.377 10.629 7.851 1.00 0.00 C ATOM 0 HA PRO A 55 8.835 12.742 5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.722 13.932 7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.126 13.214 7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.663 12.053 8.823 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.037 11.997 9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.112 9.879 8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.394 10.219 8.085 1.00 0.00 H new ATOM 780 N GLY A 56 10.923 14.098 5.140 1.00 0.00 N ATOM 781 CA GLY A 56 12.174 14.657 4.662 1.00 0.00 C ATOM 782 C GLY A 56 12.874 13.748 3.671 1.00 0.00 C ATOM 783 O GLY A 56 14.102 13.738 3.587 1.00 0.00 O ATOM 0 H GLY A 56 10.101 14.677 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.981 15.622 4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.834 14.841 5.510 1.00 0.00 H new ATOM 787 N SER A 57 12.091 12.980 2.920 1.00 0.00 N ATOM 788 CA SER A 57 12.643 12.060 1.933 1.00 0.00 C ATOM 789 C SER A 57 12.182 12.430 0.526 1.00 0.00 C ATOM 790 O SER A 57 11.307 13.277 0.351 1.00 0.00 O ATOM 791 CB SER A 57 12.227 10.623 2.256 1.00 0.00 C ATOM 792 OG SER A 57 10.916 10.355 1.790 1.00 0.00 O ATOM 0 H SER A 57 11.073 12.977 2.976 1.00 0.00 H new ATOM 0 HA SER A 57 13.730 12.135 1.972 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.929 9.926 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.274 10.461 3.333 1.00 0.00 H new ATOM 0 HG SER A 57 10.295 10.345 2.548 1.00 0.00 H new ATOM 798 N ALA A 58 12.779 11.788 -0.473 1.00 0.00 N ATOM 799 CA ALA A 58 12.429 12.048 -1.864 1.00 0.00 C ATOM 800 C ALA A 58 10.946 11.797 -2.113 1.00 0.00 C ATOM 801 O ALA A 58 10.270 12.601 -2.756 1.00 0.00 O ATOM 802 CB ALA A 58 13.275 11.187 -2.790 1.00 0.00 C ATOM 0 H ALA A 58 13.507 11.085 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 58 12.633 13.098 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.003 11.391 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.330 11.418 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.099 10.134 -2.570 1.00 0.00 H new ATOM 808 N ALA A 59 10.446 10.677 -1.602 1.00 0.00 N ATOM 809 CA ALA A 59 9.042 10.322 -1.769 1.00 0.00 C ATOM 810 C ALA A 59 8.131 11.390 -1.174 1.00 0.00 C ATOM 811 O ALA A 59 7.194 11.853 -1.824 1.00 0.00 O ATOM 812 CB ALA A 59 8.761 8.970 -1.130 1.00 0.00 C ATOM 0 H ALA A 59 10.992 10.000 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 59 8.833 10.258 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.709 8.717 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.380 8.208 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.993 9.015 -0.066 1.00 0.00 H new ATOM 818 N TYR A 60 8.411 11.776 0.066 1.00 0.00 N ATOM 819 CA TYR A 60 7.614 12.787 0.750 1.00 0.00 C ATOM 820 C TYR A 60 7.598 14.093 -0.038 1.00 0.00 C ATOM 821 O TYR A 60 6.578 14.780 -0.105 1.00 0.00 O ATOM 822 CB TYR A 60 8.163 13.034 2.156 1.00 0.00 C ATOM 823 CG TYR A 60 7.345 14.018 2.962 1.00 0.00 C ATOM 824 CD1 TYR A 60 6.068 13.693 3.403 1.00 0.00 C ATOM 825 CD2 TYR A 60 7.849 15.272 3.283 1.00 0.00 C ATOM 826 CE1 TYR A 60 5.317 14.589 4.138 1.00 0.00 C ATOM 827 CE2 TYR A 60 7.106 16.174 4.019 1.00 0.00 C ATOM 828 CZ TYR A 60 5.840 15.828 4.444 1.00 0.00 C ATOM 829 OH TYR A 60 5.095 16.723 5.177 1.00 0.00 O ATOM 0 H TYR A 60 9.184 11.404 0.618 1.00 0.00 H new ATOM 0 HA TYR A 60 6.592 12.417 0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.206 12.086 2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.186 13.403 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.656 12.723 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.839 15.546 2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.325 14.321 4.471 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.514 17.145 4.260 1.00 0.00 H new ATOM 0 HH TYR A 60 5.609 17.547 5.306 1.00 0.00 H new ATOM 839 N HIS A 61 8.737 14.430 -0.635 1.00 0.00 N ATOM 840 CA HIS A 61 8.856 15.653 -1.421 1.00 0.00 C ATOM 841 C HIS A 61 8.088 15.531 -2.735 1.00 0.00 C ATOM 842 O HIS A 61 7.305 16.411 -3.090 1.00 0.00 O ATOM 843 CB HIS A 61 10.326 15.963 -1.703 1.00 0.00 C ATOM 844 CG HIS A 61 11.000 16.720 -0.601 1.00 0.00 C ATOM 845 ND1 HIS A 61 10.374 17.713 0.122 1.00 0.00 N ATOM 846 CD2 HIS A 61 12.254 16.625 -0.099 1.00 0.00 C ATOM 847 CE1 HIS A 61 11.214 18.197 1.020 1.00 0.00 C ATOM 848 NE2 HIS A 61 12.361 17.553 0.907 1.00 0.00 N ATOM 0 H HIS A 61 9.591 13.873 -0.589 1.00 0.00 H new ATOM 0 HA HIS A 61 8.425 16.470 -0.843 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.860 15.028 -1.870 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.397 16.540 -2.625 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.026 15.946 -0.429 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.999 18.985 1.726 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.192 17.718 1.475 1.00 0.00 H new ATOM 857 N ASN A 62 8.320 14.436 -3.451 1.00 0.00 N ATOM 858 CA ASN A 62 7.652 14.200 -4.725 1.00 0.00 C ATOM 859 C ASN A 62 6.141 14.359 -4.584 1.00 0.00 C ATOM 860 O ASN A 62 5.530 15.200 -5.243 1.00 0.00 O ATOM 861 CB ASN A 62 7.982 12.800 -5.247 1.00 0.00 C ATOM 862 CG ASN A 62 7.978 12.732 -6.762 1.00 0.00 C ATOM 863 OD1 ASN A 62 7.384 11.675 -7.304 1.00 0.00 O flip ATOM 864 ND2 ASN A 62 8.501 13.619 -7.436 1.00 0.00 N flip ATOM 0 H ASN A 62 8.966 13.698 -3.170 1.00 0.00 H new ATOM 0 HA ASN A 62 8.013 14.941 -5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.961 12.498 -4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.257 12.088 -4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.946 14.413 -6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.489 13.560 -8.454 1.00 0.00 H new ATOM 871 N GLY A 63 5.543 13.544 -3.720 1.00 0.00 N ATOM 872 CA GLY A 63 4.109 13.610 -3.508 1.00 0.00 C ATOM 873 C GLY A 63 3.337 12.752 -4.491 1.00 0.00 C ATOM 874 O GLY A 63 2.186 13.047 -4.814 1.00 0.00 O ATOM 0 H GLY A 63 6.026 12.839 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.880 13.288 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.779 14.645 -3.597 1.00 0.00 H new ATOM 878 N HIS A 64 3.972 11.686 -4.969 1.00 0.00 N ATOM 879 CA HIS A 64 3.338 10.782 -5.921 1.00 0.00 C ATOM 880 C HIS A 64 3.300 9.357 -5.376 1.00 0.00 C ATOM 881 O HIS A 64 2.420 8.571 -5.727 1.00 0.00 O ATOM 882 CB HIS A 64 4.082 10.810 -7.257 1.00 0.00 C ATOM 883 CG HIS A 64 3.874 12.075 -8.032 1.00 0.00 C ATOM 884 ND1 HIS A 64 2.859 12.236 -8.950 1.00 0.00 N ATOM 885 CD2 HIS A 64 4.558 13.243 -8.019 1.00 0.00 C ATOM 886 CE1 HIS A 64 2.928 13.448 -9.471 1.00 0.00 C ATOM 887 NE2 HIS A 64 3.950 14.080 -8.923 1.00 0.00 N ATOM 0 H HIS A 64 4.925 11.428 -4.712 1.00 0.00 H new ATOM 0 HA HIS A 64 2.313 11.120 -6.077 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.148 10.678 -7.073 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.756 9.965 -7.863 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.421 13.474 -7.411 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.262 13.853 -10.218 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.241 15.034 -9.136 1.00 0.00 H new ATOM 896 N ILE A 65 4.261 9.032 -4.519 1.00 0.00 N ATOM 897 CA ILE A 65 4.337 7.702 -3.926 1.00 0.00 C ATOM 898 C ILE A 65 4.028 7.747 -2.433 1.00 0.00 C ATOM 899 O ILE A 65 4.713 8.426 -1.668 1.00 0.00 O ATOM 900 CB ILE A 65 5.728 7.073 -4.132 1.00 0.00 C ATOM 901 CG1 ILE A 65 6.117 7.114 -5.611 1.00 0.00 C ATOM 902 CG2 ILE A 65 5.743 5.642 -3.614 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.609 7.205 -5.841 1.00 0.00 C ATOM 0 H ILE A 65 4.998 9.671 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 65 3.591 7.088 -4.431 1.00 0.00 H new ATOM 0 HB ILE A 65 6.460 7.651 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.736 6.220 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.632 7.969 -6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.732 5.210 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.505 5.638 -2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.003 5.052 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.811 7.230 -6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.994 8.114 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.099 6.337 -5.399 1.00 0.00 H new ATOM 915 N GLN A 66 2.994 7.019 -2.026 1.00 0.00 N ATOM 916 CA GLN A 66 2.595 6.975 -0.625 1.00 0.00 C ATOM 917 C GLN A 66 1.806 5.705 -0.322 1.00 0.00 C ATOM 918 O GLN A 66 1.428 4.966 -1.231 1.00 0.00 O ATOM 919 CB GLN A 66 1.758 8.206 -0.272 1.00 0.00 C ATOM 920 CG GLN A 66 0.796 8.623 -1.373 1.00 0.00 C ATOM 921 CD GLN A 66 1.414 9.610 -2.344 1.00 0.00 C ATOM 922 OE1 GLN A 66 1.093 9.462 -3.624 1.00 0.00 O flip ATOM 923 NE2 GLN A 66 2.172 10.496 -1.949 1.00 0.00 N flip ATOM 0 H GLN A 66 2.417 6.451 -2.647 1.00 0.00 H new ATOM 0 HA GLN A 66 3.499 6.972 -0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.191 8.002 0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.426 9.038 -0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.469 7.738 -1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.093 9.068 -0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.392 10.574 -0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.580 11.152 -2.615 1.00 0.00 H new ATOM 932 N VAL A 67 1.561 5.458 0.960 1.00 0.00 N ATOM 933 CA VAL A 67 0.816 4.277 1.383 1.00 0.00 C ATOM 934 C VAL A 67 -0.354 4.001 0.445 1.00 0.00 C ATOM 935 O VAL A 67 -0.780 4.877 -0.306 1.00 0.00 O ATOM 936 CB VAL A 67 0.283 4.434 2.819 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.427 4.689 3.789 1.00 0.00 C ATOM 938 CG2 VAL A 67 -0.743 5.555 2.887 1.00 0.00 C ATOM 0 H VAL A 67 1.867 6.060 1.725 1.00 0.00 H new ATOM 0 HA VAL A 67 1.510 3.437 1.351 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.207 3.505 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.031 4.797 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.122 3.850 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.949 5.603 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.109 5.652 3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.280 6.492 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.577 5.326 2.223 1.00 0.00 H new ATOM 948 N ASN A 68 -0.869 2.777 0.495 1.00 0.00 N ATOM 949 CA ASN A 68 -1.991 2.385 -0.350 1.00 0.00 C ATOM 950 C ASN A 68 -1.594 2.402 -1.823 1.00 0.00 C ATOM 951 O ASN A 68 -2.373 2.817 -2.681 1.00 0.00 O ATOM 952 CB ASN A 68 -3.181 3.319 -0.119 1.00 0.00 C ATOM 953 CG ASN A 68 -3.623 3.345 1.331 1.00 0.00 C ATOM 954 OD1 ASN A 68 -3.072 2.635 2.172 1.00 0.00 O ATOM 955 ND2 ASN A 68 -4.622 4.167 1.630 1.00 0.00 N ATOM 0 H ASN A 68 -0.527 2.040 1.112 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.279 1.368 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.913 4.328 -0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.015 3.002 -0.745 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.962 4.228 2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.049 4.737 0.900 1.00 0.00 H new ATOM 962 N ASP A 69 -0.379 1.948 -2.108 1.00 0.00 N ATOM 963 CA ASP A 69 0.121 1.909 -3.477 1.00 0.00 C ATOM 964 C ASP A 69 0.927 0.638 -3.726 1.00 0.00 C ATOM 965 O ASP A 69 1.818 0.292 -2.949 1.00 0.00 O ATOM 966 CB ASP A 69 0.985 3.139 -3.762 1.00 0.00 C ATOM 967 CG ASP A 69 0.165 4.332 -4.211 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.788 4.136 -4.994 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.476 5.462 -3.780 1.00 0.00 O ATOM 0 H ASP A 69 0.278 1.602 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.736 1.912 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.543 3.403 -2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.717 2.895 -4.532 1.00 0.00 H new ATOM 974 N LYS A 70 0.606 -0.056 -4.813 1.00 0.00 N ATOM 975 CA LYS A 70 1.299 -1.290 -5.165 1.00 0.00 C ATOM 976 C LYS A 70 2.407 -1.021 -6.179 1.00 0.00 C ATOM 977 O LYS A 70 2.186 -0.356 -7.191 1.00 0.00 O ATOM 978 CB LYS A 70 0.310 -2.310 -5.733 1.00 0.00 C ATOM 979 CG LYS A 70 0.698 -3.752 -5.457 1.00 0.00 C ATOM 980 CD LYS A 70 0.145 -4.691 -6.516 1.00 0.00 C ATOM 981 CE LYS A 70 1.122 -4.870 -7.668 1.00 0.00 C ATOM 982 NZ LYS A 70 2.400 -5.488 -7.220 1.00 0.00 N ATOM 0 H LYS A 70 -0.130 0.215 -5.465 1.00 0.00 H new ATOM 0 HA LYS A 70 1.750 -1.696 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.677 -2.121 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.229 -2.164 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.784 -3.838 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.326 -4.049 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.071 -5.660 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.798 -4.298 -6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.667 -5.494 -8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.327 -3.901 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.660 -6.257 -7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.151 -4.769 -7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.283 -5.871 -6.260 1.00 0.00 H new ATOM 996 N ILE A 71 3.596 -1.544 -5.901 1.00 0.00 N ATOM 997 CA ILE A 71 4.736 -1.362 -6.791 1.00 0.00 C ATOM 998 C ILE A 71 5.025 -2.634 -7.581 1.00 0.00 C ATOM 999 O ILE A 71 5.232 -3.702 -7.006 1.00 0.00 O ATOM 1000 CB ILE A 71 6.001 -0.958 -6.011 1.00 0.00 C ATOM 1001 CG1 ILE A 71 5.741 0.312 -5.198 1.00 0.00 C ATOM 1002 CG2 ILE A 71 7.169 -0.755 -6.963 1.00 0.00 C ATOM 1003 CD1 ILE A 71 5.225 0.042 -3.803 1.00 0.00 C ATOM 0 H ILE A 71 3.795 -2.097 -5.067 1.00 0.00 H new ATOM 0 HA ILE A 71 4.473 -0.560 -7.481 1.00 0.00 H new ATOM 0 HB ILE A 71 6.257 -1.762 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.665 0.885 -5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.019 0.932 -5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.055 -0.470 -6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.365 -1.682 -7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.925 0.033 -7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.063 0.988 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.284 -0.504 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.955 -0.552 -3.254 1.00 0.00 H new ATOM 1015 N VAL A 72 5.039 -2.512 -8.905 1.00 0.00 N ATOM 1016 CA VAL A 72 5.306 -3.651 -9.775 1.00 0.00 C ATOM 1017 C VAL A 72 6.750 -3.643 -10.263 1.00 0.00 C ATOM 1018 O VAL A 72 7.313 -4.690 -10.583 1.00 0.00 O ATOM 1019 CB VAL A 72 4.364 -3.658 -10.994 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.945 -4.009 -10.571 1.00 0.00 C ATOM 1021 CG2 VAL A 72 4.400 -2.313 -11.703 1.00 0.00 C ATOM 0 H VAL A 72 4.869 -1.636 -9.398 1.00 0.00 H new ATOM 0 HA VAL A 72 5.130 -4.550 -9.184 1.00 0.00 H new ATOM 0 HB VAL A 72 4.708 -4.421 -11.693 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.294 -4.009 -11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.936 -4.998 -10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.587 -3.272 -9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.729 -2.336 -12.561 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.082 -1.530 -11.015 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.415 -2.107 -12.042 1.00 0.00 H new ATOM 1031 N ALA A 73 7.344 -2.456 -10.318 1.00 0.00 N ATOM 1032 CA ALA A 73 8.724 -2.312 -10.765 1.00 0.00 C ATOM 1033 C ALA A 73 9.393 -1.112 -10.103 1.00 0.00 C ATOM 1034 O ALA A 73 8.740 -0.113 -9.801 1.00 0.00 O ATOM 1035 CB ALA A 73 8.778 -2.180 -12.279 1.00 0.00 C ATOM 0 H ALA A 73 6.891 -1.580 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 73 9.270 -3.208 -10.470 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.815 -2.073 -12.598 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.347 -3.070 -12.737 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.211 -1.302 -12.588 1.00 0.00 H new ATOM 1041 N VAL A 74 10.699 -1.217 -9.879 1.00 0.00 N ATOM 1042 CA VAL A 74 11.457 -0.140 -9.254 1.00 0.00 C ATOM 1043 C VAL A 74 12.724 0.171 -10.042 1.00 0.00 C ATOM 1044 O VAL A 74 13.585 -0.691 -10.218 1.00 0.00 O ATOM 1045 CB VAL A 74 11.841 -0.493 -7.804 1.00 0.00 C ATOM 1046 CG1 VAL A 74 12.603 0.655 -7.159 1.00 0.00 C ATOM 1047 CG2 VAL A 74 10.602 -0.843 -6.995 1.00 0.00 C ATOM 0 H VAL A 74 11.254 -2.038 -10.121 1.00 0.00 H new ATOM 0 HA VAL A 74 10.812 0.739 -9.248 1.00 0.00 H new ATOM 0 HB VAL A 74 12.493 -1.366 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 74 12.866 0.388 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.512 0.853 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.978 1.548 -7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.892 -1.090 -5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.922 0.009 -6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.102 -1.700 -7.447 1.00 0.00 H new ATOM 1057 N ASP A 75 12.830 1.408 -10.516 1.00 0.00 N ATOM 1058 CA ASP A 75 13.993 1.834 -11.285 1.00 0.00 C ATOM 1059 C ASP A 75 14.157 0.982 -12.540 1.00 0.00 C ATOM 1060 O ASP A 75 15.274 0.669 -12.948 1.00 0.00 O ATOM 1061 CB ASP A 75 15.257 1.751 -10.428 1.00 0.00 C ATOM 1062 CG ASP A 75 16.304 2.767 -10.840 1.00 0.00 C ATOM 1063 OD1 ASP A 75 15.963 3.964 -10.936 1.00 0.00 O ATOM 1064 OD2 ASP A 75 17.465 2.365 -11.067 1.00 0.00 O ATOM 0 H ASP A 75 12.125 2.133 -10.381 1.00 0.00 H new ATOM 0 HA ASP A 75 13.837 2.869 -11.588 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.994 1.908 -9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.678 0.749 -10.503 1.00 0.00 H new ATOM 1069 N GLY A 76 13.034 0.609 -13.147 1.00 0.00 N ATOM 1070 CA GLY A 76 13.075 -0.204 -14.348 1.00 0.00 C ATOM 1071 C GLY A 76 13.371 -1.661 -14.051 1.00 0.00 C ATOM 1072 O GLY A 76 13.852 -2.393 -14.917 1.00 0.00 O ATOM 0 H GLY A 76 12.097 0.856 -12.828 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.119 -0.129 -14.867 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.836 0.188 -15.023 1.00 0.00 H new ATOM 1076 N VAL A 77 13.085 -2.084 -12.824 1.00 0.00 N ATOM 1077 CA VAL A 77 13.325 -3.463 -12.415 1.00 0.00 C ATOM 1078 C VAL A 77 12.030 -4.139 -11.978 1.00 0.00 C ATOM 1079 O VAL A 77 11.375 -3.697 -11.035 1.00 0.00 O ATOM 1080 CB VAL A 77 14.344 -3.538 -11.263 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.490 -4.970 -10.771 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.688 -2.977 -11.704 1.00 0.00 C ATOM 0 H VAL A 77 12.687 -1.491 -12.096 1.00 0.00 H new ATOM 0 HA VAL A 77 13.730 -3.985 -13.282 1.00 0.00 H new ATOM 0 HB VAL A 77 13.976 -2.931 -10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 77 15.214 -5.003 -9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.526 -5.332 -10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.835 -5.602 -11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.396 -3.038 -10.878 1.00 0.00 H new ATOM 0 HG22 VAL A 77 16.064 -3.555 -12.548 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.567 -1.936 -12.003 1.00 0.00 H new ATOM 1092 N ASN A 78 11.667 -5.214 -12.670 1.00 0.00 N ATOM 1093 CA ASN A 78 10.450 -5.952 -12.354 1.00 0.00 C ATOM 1094 C ASN A 78 10.569 -6.641 -10.997 1.00 0.00 C ATOM 1095 O ASN A 78 11.138 -7.727 -10.890 1.00 0.00 O ATOM 1096 CB ASN A 78 10.159 -6.988 -13.441 1.00 0.00 C ATOM 1097 CG ASN A 78 8.743 -7.525 -13.365 1.00 0.00 C ATOM 1098 OD1 ASN A 78 7.778 -6.795 -13.588 1.00 0.00 O ATOM 1099 ND2 ASN A 78 8.613 -8.808 -13.047 1.00 0.00 N ATOM 0 H ASN A 78 12.199 -5.593 -13.453 1.00 0.00 H new ATOM 0 HA ASN A 78 9.625 -5.241 -12.310 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.322 -6.538 -14.420 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.863 -7.815 -13.349 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.685 -9.225 -12.980 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.442 -9.376 -12.870 1.00 0.00 H new ATOM 1106 N ILE A 79 10.027 -6.002 -9.966 1.00 0.00 N ATOM 1107 CA ILE A 79 10.071 -6.554 -8.618 1.00 0.00 C ATOM 1108 C ILE A 79 8.768 -7.268 -8.273 1.00 0.00 C ATOM 1109 O ILE A 79 8.467 -7.499 -7.103 1.00 0.00 O ATOM 1110 CB ILE A 79 10.335 -5.457 -7.569 1.00 0.00 C ATOM 1111 CG1 ILE A 79 9.180 -4.454 -7.546 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.651 -4.752 -7.860 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.949 -3.829 -6.188 1.00 0.00 C ATOM 0 H ILE A 79 9.553 -5.102 -10.038 1.00 0.00 H new ATOM 0 HA ILE A 79 10.892 -7.271 -8.597 1.00 0.00 H new ATOM 0 HB ILE A 79 10.405 -5.924 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.380 -3.665 -8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.267 -4.956 -7.866 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.824 -3.980 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.466 -5.475 -7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.608 -4.295 -8.849 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.116 -3.129 -6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.717 -4.609 -5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.848 -3.298 -5.874 1.00 0.00 H new ATOM 1125 N GLN A 80 8.001 -7.615 -9.301 1.00 0.00 N ATOM 1126 CA GLN A 80 6.730 -8.304 -9.107 1.00 0.00 C ATOM 1127 C GLN A 80 6.870 -9.424 -8.081 1.00 0.00 C ATOM 1128 O GLN A 80 6.359 -9.325 -6.966 1.00 0.00 O ATOM 1129 CB GLN A 80 6.226 -8.873 -10.435 1.00 0.00 C ATOM 1130 CG GLN A 80 5.589 -7.831 -11.340 1.00 0.00 C ATOM 1131 CD GLN A 80 4.817 -8.450 -12.489 1.00 0.00 C ATOM 1132 OE1 GLN A 80 4.711 -9.672 -12.593 1.00 0.00 O ATOM 1133 NE2 GLN A 80 4.274 -7.607 -13.359 1.00 0.00 N ATOM 0 H GLN A 80 8.237 -7.431 -10.276 1.00 0.00 H new ATOM 0 HA GLN A 80 6.006 -7.580 -8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.059 -9.338 -10.961 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.499 -9.659 -10.231 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.918 -7.206 -10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.365 -7.178 -11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.387 -6.601 -13.233 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.743 -7.965 -14.153 1.00 0.00 H new ATOM 1142 N GLY A 81 7.565 -10.490 -8.466 1.00 0.00 N ATOM 1143 CA GLY A 81 7.759 -11.613 -7.568 1.00 0.00 C ATOM 1144 C GLY A 81 9.035 -11.495 -6.758 1.00 0.00 C ATOM 1145 O GLY A 81 9.759 -12.475 -6.582 1.00 0.00 O ATOM 0 H GLY A 81 7.997 -10.596 -9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.908 -11.684 -6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.784 -12.537 -8.146 1.00 0.00 H new ATOM 1149 N PHE A 82 9.312 -10.293 -6.266 1.00 0.00 N ATOM 1150 CA PHE A 82 10.512 -10.049 -5.473 1.00 0.00 C ATOM 1151 C PHE A 82 10.188 -10.056 -3.982 1.00 0.00 C ATOM 1152 O PHE A 82 9.112 -9.627 -3.568 1.00 0.00 O ATOM 1153 CB PHE A 82 11.144 -8.712 -5.864 1.00 0.00 C ATOM 1154 CG PHE A 82 12.083 -8.811 -7.032 1.00 0.00 C ATOM 1155 CD1 PHE A 82 11.801 -9.652 -8.095 1.00 0.00 C ATOM 1156 CD2 PHE A 82 13.249 -8.063 -7.065 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.662 -9.746 -9.172 1.00 0.00 C ATOM 1158 CE2 PHE A 82 14.114 -8.152 -8.139 1.00 0.00 C ATOM 1159 CZ PHE A 82 13.821 -8.995 -9.193 1.00 0.00 C ATOM 0 H PHE A 82 8.722 -9.472 -6.402 1.00 0.00 H new ATOM 0 HA PHE A 82 11.222 -10.851 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.353 -8.002 -6.104 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.684 -8.310 -5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.897 -10.242 -8.082 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.484 -7.404 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.429 -10.405 -9.995 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.019 -7.563 -8.154 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.497 -9.067 -10.032 1.00 0.00 H new ATOM 1169 N ALA A 83 11.129 -10.546 -3.181 1.00 0.00 N ATOM 1170 CA ALA A 83 10.945 -10.608 -1.736 1.00 0.00 C ATOM 1171 C ALA A 83 11.298 -9.277 -1.081 1.00 0.00 C ATOM 1172 O ALA A 83 12.135 -8.529 -1.585 1.00 0.00 O ATOM 1173 CB ALA A 83 11.787 -11.729 -1.145 1.00 0.00 C ATOM 0 H ALA A 83 12.026 -10.906 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 83 9.893 -10.814 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.640 -11.764 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.486 -12.680 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.839 -11.547 -1.362 1.00 0.00 H new ATOM 1179 N ASN A 84 10.653 -8.988 0.045 1.00 0.00 N ATOM 1180 CA ASN A 84 10.899 -7.745 0.769 1.00 0.00 C ATOM 1181 C ASN A 84 12.362 -7.328 0.653 1.00 0.00 C ATOM 1182 O ASN A 84 12.677 -6.281 0.086 1.00 0.00 O ATOM 1183 CB ASN A 84 10.517 -7.905 2.242 1.00 0.00 C ATOM 1184 CG ASN A 84 10.291 -6.572 2.928 1.00 0.00 C ATOM 1185 OD1 ASN A 84 11.113 -6.127 3.730 1.00 0.00 O ATOM 1186 ND2 ASN A 84 9.173 -5.928 2.616 1.00 0.00 N ATOM 0 H ASN A 84 9.957 -9.597 0.476 1.00 0.00 H new ATOM 0 HA ASN A 84 10.282 -6.965 0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.611 -8.507 2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.305 -8.449 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.967 -5.027 3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.520 -6.335 1.946 1.00 0.00 H new ATOM 1193 N HIS A 85 13.252 -8.154 1.193 1.00 0.00 N ATOM 1194 CA HIS A 85 14.682 -7.872 1.150 1.00 0.00 C ATOM 1195 C HIS A 85 15.147 -7.643 -0.285 1.00 0.00 C ATOM 1196 O HIS A 85 15.868 -6.686 -0.569 1.00 0.00 O ATOM 1197 CB HIS A 85 15.470 -9.024 1.776 1.00 0.00 C ATOM 1198 CG HIS A 85 14.990 -10.378 1.351 1.00 0.00 C ATOM 1199 ND1 HIS A 85 14.075 -11.113 2.074 1.00 0.00 N ATOM 1200 CD2 HIS A 85 15.304 -11.129 0.270 1.00 0.00 C ATOM 1201 CE1 HIS A 85 13.847 -12.258 1.457 1.00 0.00 C ATOM 1202 NE2 HIS A 85 14.580 -12.292 0.359 1.00 0.00 N ATOM 0 H HIS A 85 13.008 -9.024 1.666 1.00 0.00 H new ATOM 0 HA HIS A 85 14.866 -6.963 1.723 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.522 -8.920 1.510 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.407 -8.949 2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.995 -10.863 -0.516 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.176 -13.034 1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.604 -13.058 -0.314 1.00 0.00 H new ATOM 1211 N ASP A 86 14.730 -8.526 -1.185 1.00 0.00 N ATOM 1212 CA ASP A 86 15.104 -8.420 -2.591 1.00 0.00 C ATOM 1213 C ASP A 86 14.758 -7.040 -3.142 1.00 0.00 C ATOM 1214 O ASP A 86 15.467 -6.505 -3.995 1.00 0.00 O ATOM 1215 CB ASP A 86 14.399 -9.501 -3.411 1.00 0.00 C ATOM 1216 CG ASP A 86 15.065 -10.856 -3.276 1.00 0.00 C ATOM 1217 OD1 ASP A 86 16.281 -10.894 -2.994 1.00 0.00 O ATOM 1218 OD2 ASP A 86 14.371 -11.880 -3.453 1.00 0.00 O ATOM 0 H ASP A 86 14.133 -9.323 -0.967 1.00 0.00 H new ATOM 0 HA ASP A 86 16.182 -8.563 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.360 -9.576 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.388 -9.208 -4.461 1.00 0.00 H new ATOM 1223 N VAL A 87 13.663 -6.469 -2.650 1.00 0.00 N ATOM 1224 CA VAL A 87 13.224 -5.151 -3.093 1.00 0.00 C ATOM 1225 C VAL A 87 14.053 -4.048 -2.444 1.00 0.00 C ATOM 1226 O VAL A 87 14.333 -3.022 -3.064 1.00 0.00 O ATOM 1227 CB VAL A 87 11.736 -4.918 -2.768 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.309 -3.521 -3.193 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.873 -5.975 -3.440 1.00 0.00 C ATOM 0 H VAL A 87 13.064 -6.898 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 87 13.363 -5.117 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 87 11.600 -5.001 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.255 -3.375 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.907 -2.780 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.458 -3.406 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.825 -5.796 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.012 -5.925 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.163 -6.963 -3.082 1.00 0.00 H new ATOM 1239 N VAL A 88 14.444 -4.267 -1.193 1.00 0.00 N ATOM 1240 CA VAL A 88 15.243 -3.292 -0.460 1.00 0.00 C ATOM 1241 C VAL A 88 16.544 -2.986 -1.193 1.00 0.00 C ATOM 1242 O VAL A 88 16.851 -1.828 -1.473 1.00 0.00 O ATOM 1243 CB VAL A 88 15.572 -3.790 0.960 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.547 -2.845 1.645 1.00 0.00 C ATOM 1245 CG2 VAL A 88 14.299 -3.943 1.779 1.00 0.00 C ATOM 0 H VAL A 88 14.221 -5.111 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 88 14.646 -2.383 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 88 16.046 -4.768 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.768 -3.213 2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.469 -2.792 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.104 -1.851 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.550 -4.296 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.794 -2.980 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.640 -4.664 1.295 1.00 0.00 H new ATOM 1255 N GLU A 89 17.304 -4.032 -1.502 1.00 0.00 N ATOM 1256 CA GLU A 89 18.572 -3.873 -2.203 1.00 0.00 C ATOM 1257 C GLU A 89 18.380 -3.111 -3.511 1.00 0.00 C ATOM 1258 O GLU A 89 19.189 -2.256 -3.870 1.00 0.00 O ATOM 1259 CB GLU A 89 19.200 -5.240 -2.484 1.00 0.00 C ATOM 1260 CG GLU A 89 18.450 -6.051 -3.528 1.00 0.00 C ATOM 1261 CD GLU A 89 19.189 -7.313 -3.927 1.00 0.00 C ATOM 1262 OE1 GLU A 89 20.382 -7.215 -4.284 1.00 0.00 O ATOM 1263 OE2 GLU A 89 18.574 -8.399 -3.884 1.00 0.00 O ATOM 0 H GLU A 89 17.064 -4.998 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 89 19.241 -3.298 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.228 -5.097 -2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.242 -5.809 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.467 -6.317 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.286 -5.435 -4.412 1.00 0.00 H new ATOM 1270 N VAL A 90 17.301 -3.428 -4.221 1.00 0.00 N ATOM 1271 CA VAL A 90 17.000 -2.775 -5.489 1.00 0.00 C ATOM 1272 C VAL A 90 16.981 -1.258 -5.334 1.00 0.00 C ATOM 1273 O VAL A 90 17.490 -0.529 -6.186 1.00 0.00 O ATOM 1274 CB VAL A 90 15.645 -3.240 -6.052 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.271 -2.428 -7.283 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.684 -4.726 -6.375 1.00 0.00 C ATOM 0 H VAL A 90 16.621 -4.134 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 90 17.789 -3.056 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 90 14.880 -3.077 -5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.310 -2.771 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.199 -1.374 -7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 90 16.035 -2.557 -8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.718 -5.038 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.460 -4.917 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.903 -5.290 -5.468 1.00 0.00 H new ATOM 1286 N LEU A 91 16.390 -0.788 -4.240 1.00 0.00 N ATOM 1287 CA LEU A 91 16.305 0.643 -3.972 1.00 0.00 C ATOM 1288 C LEU A 91 17.690 1.238 -3.740 1.00 0.00 C ATOM 1289 O LEU A 91 18.026 2.286 -4.291 1.00 0.00 O ATOM 1290 CB LEU A 91 15.416 0.901 -2.754 1.00 0.00 C ATOM 1291 CG LEU A 91 14.028 0.259 -2.788 1.00 0.00 C ATOM 1292 CD1 LEU A 91 13.414 0.242 -1.397 1.00 0.00 C ATOM 1293 CD2 LEU A 91 13.123 0.997 -3.763 1.00 0.00 C ATOM 0 H LEU A 91 15.963 -1.377 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 91 15.865 1.125 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.938 0.544 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.294 1.978 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 91 14.133 -0.771 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.427 -0.218 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 91 14.052 -0.331 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.322 1.263 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.140 0.527 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.024 2.037 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.556 0.957 -4.763 1.00 0.00 H new ATOM 1305 N ARG A 92 18.490 0.560 -2.923 1.00 0.00 N ATOM 1306 CA ARG A 92 19.839 1.021 -2.619 1.00 0.00 C ATOM 1307 C ARG A 92 20.668 1.153 -3.893 1.00 0.00 C ATOM 1308 O ARG A 92 21.395 2.129 -4.074 1.00 0.00 O ATOM 1309 CB ARG A 92 20.524 0.056 -1.650 1.00 0.00 C ATOM 1310 CG ARG A 92 19.882 0.017 -0.273 1.00 0.00 C ATOM 1311 CD ARG A 92 20.632 -0.915 0.665 1.00 0.00 C ATOM 1312 NE ARG A 92 21.689 -0.222 1.397 1.00 0.00 N ATOM 1313 CZ ARG A 92 22.733 -0.839 1.939 1.00 0.00 C ATOM 1314 NH1 ARG A 92 22.860 -2.154 1.832 1.00 0.00 N ATOM 1315 NH2 ARG A 92 23.654 -0.139 2.589 1.00 0.00 N ATOM 0 H ARG A 92 18.227 -0.310 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 92 19.764 2.003 -2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.508 -0.947 -2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 92 21.571 0.342 -1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.863 1.022 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.846 -0.311 -0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.931 -1.357 1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 92 21.066 -1.734 0.091 1.00 0.00 H new ATOM 0 HE ARG A 92 21.622 0.791 1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 92 22.155 -2.695 1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 92 23.663 -2.624 2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 92 23.560 0.873 2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 92 24.456 -0.613 3.005 1.00 0.00 H new ATOM 1329 N ASN A 93 20.554 0.164 -4.773 1.00 0.00 N ATOM 1330 CA ASN A 93 21.294 0.169 -6.030 1.00 0.00 C ATOM 1331 C ASN A 93 20.905 1.371 -6.885 1.00 0.00 C ATOM 1332 O ASN A 93 21.756 1.999 -7.514 1.00 0.00 O ATOM 1333 CB ASN A 93 21.036 -1.126 -6.803 1.00 0.00 C ATOM 1334 CG ASN A 93 21.922 -2.264 -6.337 1.00 0.00 C ATOM 1335 OD1 ASN A 93 22.967 -2.534 -6.929 1.00 0.00 O ATOM 1336 ND2 ASN A 93 21.507 -2.938 -5.271 1.00 0.00 N ATOM 0 H ASN A 93 19.956 -0.652 -4.639 1.00 0.00 H new ATOM 0 HA ASN A 93 22.357 0.240 -5.797 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.991 -1.413 -6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 93 21.203 -0.951 -7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 93 22.061 -3.715 -4.911 1.00 0.00 H new ATOM 0 HD22 ASN A 93 20.634 -2.679 -4.812 1.00 0.00 H new ATOM 1343 N ALA A 94 19.614 1.686 -6.901 1.00 0.00 N ATOM 1344 CA ALA A 94 19.112 2.814 -7.676 1.00 0.00 C ATOM 1345 C ALA A 94 19.889 4.087 -7.358 1.00 0.00 C ATOM 1346 O ALA A 94 20.457 4.226 -6.275 1.00 0.00 O ATOM 1347 CB ALA A 94 17.628 3.019 -7.411 1.00 0.00 C ATOM 0 H ALA A 94 18.897 1.176 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 94 19.253 2.588 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.267 3.865 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.080 2.121 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.472 3.219 -6.351 1.00 0.00 H new ATOM 1353 N GLY A 95 19.911 5.016 -8.310 1.00 0.00 N ATOM 1354 CA GLY A 95 20.622 6.265 -8.111 1.00 0.00 C ATOM 1355 C GLY A 95 19.686 7.452 -7.993 1.00 0.00 C ATOM 1356 O GLY A 95 18.535 7.304 -7.584 1.00 0.00 O ATOM 0 H GLY A 95 19.449 4.925 -9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.229 6.194 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.306 6.427 -8.944 1.00 0.00 H new ATOM 1360 N GLN A 96 20.182 8.632 -8.349 1.00 0.00 N ATOM 1361 CA GLN A 96 19.383 9.850 -8.278 1.00 0.00 C ATOM 1362 C GLN A 96 18.034 9.656 -8.963 1.00 0.00 C ATOM 1363 O GLN A 96 16.983 9.773 -8.333 1.00 0.00 O ATOM 1364 CB GLN A 96 20.133 11.016 -8.923 1.00 0.00 C ATOM 1365 CG GLN A 96 19.648 12.381 -8.461 1.00 0.00 C ATOM 1366 CD GLN A 96 20.722 13.447 -8.561 1.00 0.00 C ATOM 1367 OE1 GLN A 96 21.245 13.717 -9.643 1.00 0.00 O ATOM 1368 NE2 GLN A 96 21.057 14.058 -7.432 1.00 0.00 N ATOM 0 H GLN A 96 21.133 8.771 -8.690 1.00 0.00 H new ATOM 0 HA GLN A 96 19.207 10.078 -7.227 1.00 0.00 H new ATOM 0 HB2 GLN A 96 21.196 10.922 -8.699 1.00 0.00 H new ATOM 0 HB3 GLN A 96 20.029 10.950 -10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.789 12.679 -9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.306 12.311 -7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.597 13.802 -6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 96 21.774 14.783 -7.438 1.00 0.00 H new ATOM 1377 N VAL A 97 18.071 9.359 -10.259 1.00 0.00 N ATOM 1378 CA VAL A 97 16.852 9.148 -11.030 1.00 0.00 C ATOM 1379 C VAL A 97 16.232 7.790 -10.717 1.00 0.00 C ATOM 1380 O VAL A 97 16.696 6.758 -11.200 1.00 0.00 O ATOM 1381 CB VAL A 97 17.122 9.240 -12.543 1.00 0.00 C ATOM 1382 CG1 VAL A 97 15.849 8.972 -13.331 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.702 10.601 -12.898 1.00 0.00 C ATOM 0 H VAL A 97 18.932 9.259 -10.796 1.00 0.00 H new ATOM 0 HA VAL A 97 16.156 9.937 -10.744 1.00 0.00 H new ATOM 0 HB VAL A 97 17.853 8.477 -12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 97 16.060 9.042 -14.398 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.481 7.973 -13.098 1.00 0.00 H new ATOM 0 HG13 VAL A 97 15.093 9.709 -13.062 1.00 0.00 H new ATOM 0 HG21 VAL A 97 17.887 10.649 -13.971 1.00 0.00 H new ATOM 0 HG22 VAL A 97 16.996 11.382 -12.616 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.639 10.748 -12.361 1.00 0.00 H new ATOM 1393 N VAL A 98 15.179 7.800 -9.906 1.00 0.00 N ATOM 1394 CA VAL A 98 14.493 6.569 -9.529 1.00 0.00 C ATOM 1395 C VAL A 98 13.107 6.498 -10.161 1.00 0.00 C ATOM 1396 O VAL A 98 12.190 7.211 -9.753 1.00 0.00 O ATOM 1397 CB VAL A 98 14.355 6.449 -8.000 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.658 5.150 -7.627 1.00 0.00 C ATOM 1399 CG2 VAL A 98 15.720 6.542 -7.334 1.00 0.00 C ATOM 0 H VAL A 98 14.782 8.646 -9.497 1.00 0.00 H new ATOM 0 HA VAL A 98 15.100 5.742 -9.897 1.00 0.00 H new ATOM 0 HB VAL A 98 13.743 7.277 -7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.570 5.083 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.664 5.129 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.240 4.306 -7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.604 6.455 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.357 5.736 -7.697 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.177 7.502 -7.574 1.00 0.00 H new ATOM 1409 N HIS A 99 12.962 5.631 -11.158 1.00 0.00 N ATOM 1410 CA HIS A 99 11.686 5.465 -11.846 1.00 0.00 C ATOM 1411 C HIS A 99 10.868 4.346 -11.210 1.00 0.00 C ATOM 1412 O HIS A 99 11.150 3.164 -11.411 1.00 0.00 O ATOM 1413 CB HIS A 99 11.917 5.164 -13.328 1.00 0.00 C ATOM 1414 CG HIS A 99 12.081 6.392 -14.169 1.00 0.00 C ATOM 1415 ND1 HIS A 99 13.161 6.595 -15.002 1.00 0.00 N ATOM 1416 CD2 HIS A 99 11.293 7.484 -14.305 1.00 0.00 C ATOM 1417 CE1 HIS A 99 13.031 7.759 -15.613 1.00 0.00 C ATOM 1418 NE2 HIS A 99 11.905 8.319 -15.207 1.00 0.00 N ATOM 0 H HIS A 99 13.711 5.033 -11.507 1.00 0.00 H new ATOM 0 HA HIS A 99 11.128 6.397 -11.754 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.806 4.542 -13.430 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.077 4.583 -13.708 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.357 7.665 -13.798 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.726 8.181 -16.323 1.00 0.00 H new ATOM 0 HE2 HIS A 99 11.549 9.224 -15.514 1.00 0.00 H new ATOM 1427 N LEU A 100 9.854 4.726 -10.440 1.00 0.00 N ATOM 1428 CA LEU A 100 8.994 3.754 -9.773 1.00 0.00 C ATOM 1429 C LEU A 100 7.758 3.452 -10.614 1.00 0.00 C ATOM 1430 O LEU A 100 7.137 4.357 -11.172 1.00 0.00 O ATOM 1431 CB LEU A 100 8.573 4.276 -8.397 1.00 0.00 C ATOM 1432 CG LEU A 100 8.373 3.219 -7.311 1.00 0.00 C ATOM 1433 CD1 LEU A 100 7.425 2.131 -7.793 1.00 0.00 C ATOM 1434 CD2 LEU A 100 9.709 2.619 -6.897 1.00 0.00 C ATOM 0 H LEU A 100 9.607 5.700 -10.262 1.00 0.00 H new ATOM 0 HA LEU A 100 9.560 2.831 -9.648 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.327 4.984 -8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.642 4.832 -8.511 1.00 0.00 H new ATOM 0 HG LEU A 100 7.928 3.701 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.295 1.387 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.459 2.573 -8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.841 1.652 -8.680 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.547 1.869 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.182 2.153 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.357 3.405 -6.510 1.00 0.00 H new ATOM 1446 N THR A 101 7.405 2.173 -10.700 1.00 0.00 N ATOM 1447 CA THR A 101 6.243 1.751 -11.472 1.00 0.00 C ATOM 1448 C THR A 101 5.133 1.241 -10.561 1.00 0.00 C ATOM 1449 O THR A 101 5.208 0.128 -10.038 1.00 0.00 O ATOM 1450 CB THR A 101 6.611 0.648 -12.483 1.00 0.00 C ATOM 1451 OG1 THR A 101 7.799 1.011 -13.194 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.475 0.417 -13.468 1.00 0.00 C ATOM 0 H THR A 101 7.908 1.411 -10.244 1.00 0.00 H new ATOM 0 HA THR A 101 5.889 2.627 -12.015 1.00 0.00 H new ATOM 0 HB THR A 101 6.787 -0.276 -11.932 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.938 0.388 -13.938 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.757 -0.366 -14.172 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.580 0.112 -12.926 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.273 1.339 -14.013 1.00 0.00 H new ATOM 1460 N LEU A 102 4.104 2.059 -10.374 1.00 0.00 N ATOM 1461 CA LEU A 102 2.976 1.690 -9.525 1.00 0.00 C ATOM 1462 C LEU A 102 1.680 1.650 -10.328 1.00 0.00 C ATOM 1463 O LEU A 102 1.594 2.219 -11.417 1.00 0.00 O ATOM 1464 CB LEU A 102 2.841 2.677 -8.365 1.00 0.00 C ATOM 1465 CG LEU A 102 4.150 3.182 -7.756 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.715 4.327 -8.581 1.00 0.00 C ATOM 1467 CD2 LEU A 102 3.934 3.616 -6.314 1.00 0.00 C ATOM 0 H LEU A 102 4.027 2.983 -10.799 1.00 0.00 H new ATOM 0 HA LEU A 102 3.165 0.694 -9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.269 3.538 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.256 2.202 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 102 4.872 2.365 -7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.646 4.674 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.907 3.983 -9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.997 5.147 -8.605 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.876 3.972 -5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.196 4.418 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.575 2.769 -5.729 1.00 0.00 H new ATOM 1479 N VAL A 103 0.673 0.975 -9.783 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.620 0.864 -10.447 1.00 0.00 C ATOM 1481 C VAL A 103 -1.764 1.016 -9.451 1.00 0.00 C ATOM 1482 O VAL A 103 -1.923 0.201 -8.543 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.764 -0.487 -11.174 1.00 0.00 C ATOM 1484 CG1 VAL A 103 -0.461 -1.638 -10.227 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -2.158 -0.627 -11.767 1.00 0.00 C ATOM 0 H VAL A 103 0.728 0.497 -8.884 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.670 1.670 -11.179 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.042 -0.519 -11.990 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.568 -2.584 -10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.559 -1.544 -9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.157 -1.612 -9.388 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.242 -1.587 -12.277 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.900 -0.573 -10.970 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.333 0.179 -12.480 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.560 2.066 -9.629 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.690 2.327 -8.745 1.00 0.00 C ATOM 1497 C ARG A 104 -5.007 1.967 -9.426 1.00 0.00 C ATOM 1498 O ARG A 104 -5.118 2.017 -10.651 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.706 3.797 -8.322 1.00 0.00 C ATOM 1500 CG ARG A 104 -2.518 4.197 -7.463 1.00 0.00 C ATOM 1501 CD ARG A 104 -2.557 5.676 -7.113 1.00 0.00 C ATOM 1502 NE ARG A 104 -2.298 6.521 -8.276 1.00 0.00 N ATOM 1503 CZ ARG A 104 -2.809 7.738 -8.428 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -3.600 8.250 -7.495 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -2.527 8.445 -9.514 1.00 0.00 N ATOM 0 H ARG A 104 -2.443 2.749 -10.377 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.577 1.703 -7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -3.725 4.423 -9.214 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.625 3.998 -7.772 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.514 3.605 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.592 3.972 -7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.533 5.924 -6.695 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.817 5.885 -6.341 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.692 6.157 -9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.818 7.709 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.991 9.185 -7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.918 8.054 -10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.919 9.379 -9.630 1.00 0.00 H new ATOM 1519 N ARG A 105 -6.003 1.605 -8.624 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.311 1.236 -9.149 1.00 0.00 C ATOM 1521 C ARG A 105 -8.080 2.470 -9.611 1.00 0.00 C ATOM 1522 O ARG A 105 -8.302 3.402 -8.837 1.00 0.00 O ATOM 1523 CB ARG A 105 -8.119 0.487 -8.087 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.338 -0.231 -8.642 1.00 0.00 C ATOM 1525 CD ARG A 105 -9.671 -1.473 -7.830 1.00 0.00 C ATOM 1526 NE ARG A 105 -11.094 -1.796 -7.883 1.00 0.00 N ATOM 1527 CZ ARG A 105 -11.721 -2.509 -6.954 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -11.054 -2.969 -5.904 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -13.018 -2.762 -7.073 1.00 0.00 N ATOM 0 H ARG A 105 -5.928 1.560 -7.608 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.158 0.582 -10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.472 -0.240 -7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.441 1.194 -7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.192 0.446 -8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.155 -0.511 -9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -9.093 -2.317 -8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -9.373 -1.319 -6.793 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.636 -1.455 -8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.057 -2.776 -5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.538 -3.516 -5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.535 -2.409 -7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.498 -3.310 -6.359 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.483 2.471 -10.877 1.00 0.00 N ATOM 1544 CA LYS A 106 -9.227 3.590 -11.443 1.00 0.00 C ATOM 1545 C LYS A 106 -10.556 3.781 -10.719 1.00 0.00 C ATOM 1546 O LYS A 106 -10.919 2.992 -9.846 1.00 0.00 O ATOM 1547 CB LYS A 106 -9.476 3.360 -12.936 1.00 0.00 C ATOM 1548 CG LYS A 106 -8.203 3.168 -13.742 1.00 0.00 C ATOM 1549 CD LYS A 106 -8.480 2.468 -15.062 1.00 0.00 C ATOM 1550 CE LYS A 106 -7.497 2.901 -16.139 1.00 0.00 C ATOM 1551 NZ LYS A 106 -8.073 2.759 -17.505 1.00 0.00 N ATOM 0 H LYS A 106 -8.307 1.709 -11.531 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.630 4.493 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.110 2.482 -13.059 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.027 4.210 -13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.742 4.137 -13.933 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.489 2.584 -13.162 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.417 1.389 -14.923 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.497 2.689 -15.386 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.210 3.939 -15.972 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.589 2.303 -16.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.373 3.064 -18.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.324 1.764 -17.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.925 3.350 -17.586 1.00 0.00 H new