USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 962 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 18 SER OG : rot -5:sc= -2.58! USER MOD Set 1.2: A 126 MET CE :methyl -129:sc= -0.67 (180deg=0) USER MOD Set 2.1: A 125 GLN : amide:sc= -0.349 K(o=-1.1,f=-1.8) USER MOD Set 2.2: A 127 GLN : amide:sc= -0.796 X(o=-1.1,f=-1.2) USER MOD Set 3.1: A 34 LYS NZ :NH3+ -159:sc= -3.76! (180deg=-0.497) USER MOD Set 3.2: A 36 GLN : amide:sc= -3.64! K(o=-7.4!,f=-4.9) USER MOD Single : A 16 GLN : amide:sc= -19.8! C(o=-20!,f=-19!) USER MOD Single : A 21 TYR OH : rot -156:sc= -0.382 USER MOD Single : A 22 ASN : amide:sc= -0.665 K(o=-0.67,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -21:sc= 0.659 USER MOD Single : A 27 THR OG1 : rot -51:sc= -1.68! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -17:sc= 0.456 USER MOD Single : A 47 SER OG : rot 21:sc= 0.955 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= -0.0302 (180deg=-0.255) USER MOD Single : A 61 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.19) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 121:sc= 0.0103 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.62) USER MOD Single : A 73 ASN : amide:sc= -0.0946 K(o=-0.095,f=-1.2) USER MOD Single : A 75 HIS : no HD1:sc= -0.841 X(o=-0.84,f=-0.86) USER MOD Single : A 77 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.64) USER MOD Single : A 115 SER OG : rot 10:sc= 0.354! USER MOD Single : A 119 ASN : amide:sc= -0.053 K(o=-0.053,f=-0.93) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= -1.9 USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 12 17.088 9.748 1.839 1.00 0.00 N ATOM 131 CA LEU A 12 15.674 9.526 1.557 1.00 0.00 C ATOM 132 C LEU A 12 14.957 8.965 2.781 1.00 0.00 C ATOM 133 O LEU A 12 13.760 9.180 2.964 1.00 0.00 O ATOM 134 CB LEU A 12 15.513 8.571 0.374 1.00 0.00 C ATOM 135 CG LEU A 12 16.408 8.843 -0.835 1.00 0.00 C ATOM 136 CD1 LEU A 12 16.688 7.555 -1.594 1.00 0.00 C ATOM 137 CD2 LEU A 12 15.768 9.875 -1.752 1.00 0.00 C ATOM 0 HA LEU A 12 15.224 10.486 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.706 7.557 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.474 8.603 0.046 1.00 0.00 H new ATOM 0 HG LEU A 12 17.356 9.243 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.327 7.769 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.190 6.846 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.748 7.125 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.419 10.056 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.805 9.503 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.621 10.806 -1.205 1.00 0.00 H new ATOM 149 N GLY A 13 15.699 8.244 3.617 1.00 0.00 N ATOM 150 CA GLY A 13 15.117 7.664 4.813 1.00 0.00 C ATOM 151 C GLY A 13 14.650 6.238 4.598 1.00 0.00 C ATOM 152 O GLY A 13 15.068 5.578 3.648 1.00 0.00 O ATOM 0 H GLY A 13 16.692 8.052 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.852 7.685 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.274 8.274 5.136 1.00 0.00 H new ATOM 156 N ARG A 14 13.781 5.762 5.484 1.00 0.00 N ATOM 157 CA ARG A 14 13.258 4.405 5.388 1.00 0.00 C ATOM 158 C ARG A 14 11.764 4.374 5.693 1.00 0.00 C ATOM 159 O ARG A 14 11.247 5.239 6.401 1.00 0.00 O ATOM 160 CB ARG A 14 14.005 3.479 6.350 1.00 0.00 C ATOM 161 CG ARG A 14 13.951 3.935 7.799 1.00 0.00 C ATOM 162 CD ARG A 14 15.137 3.410 8.593 1.00 0.00 C ATOM 163 NE ARG A 14 14.946 3.569 10.032 1.00 0.00 N ATOM 164 CZ ARG A 14 15.683 2.945 10.944 1.00 0.00 C ATOM 165 NH1 ARG A 14 16.656 2.127 10.569 1.00 0.00 N ATOM 166 NH2 ARG A 14 15.448 3.141 12.236 1.00 0.00 N ATOM 0 H ARG A 14 13.425 6.296 6.276 1.00 0.00 H new ATOM 0 HA ARG A 14 13.409 4.056 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.583 2.477 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.047 3.409 6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.939 5.024 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.024 3.589 8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 14 15.290 2.356 8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 14 16.040 3.938 8.287 1.00 0.00 H new ATOM 0 HE ARG A 14 14.206 4.193 10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.841 1.975 9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.220 1.649 11.272 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.701 3.771 12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.014 2.661 12.936 1.00 0.00 H new ATOM 180 N ILE A 15 11.075 3.374 5.154 1.00 0.00 N ATOM 181 CA ILE A 15 9.641 3.231 5.370 1.00 0.00 C ATOM 182 C ILE A 15 9.319 1.920 6.079 1.00 0.00 C ATOM 183 O ILE A 15 9.846 0.866 5.724 1.00 0.00 O ATOM 184 CB ILE A 15 8.864 3.287 4.041 1.00 0.00 C ATOM 185 CG1 ILE A 15 7.357 3.268 4.305 1.00 0.00 C ATOM 186 CG2 ILE A 15 9.264 2.126 3.144 1.00 0.00 C ATOM 187 CD1 ILE A 15 6.525 3.594 3.085 1.00 0.00 C ATOM 0 H ILE A 15 11.487 2.651 4.564 1.00 0.00 H new ATOM 0 HA ILE A 15 9.332 4.066 5.999 1.00 0.00 H new ATOM 0 HB ILE A 15 9.113 4.217 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.074 2.283 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.126 3.983 5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.706 2.180 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.332 2.180 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.041 1.185 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.467 3.562 3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.780 4.591 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.727 2.864 2.301 1.00 0.00 H new ATOM 199 N GLN A 16 8.450 1.993 7.082 1.00 0.00 N ATOM 200 CA GLN A 16 8.057 0.812 7.840 1.00 0.00 C ATOM 201 C GLN A 16 6.619 0.415 7.524 1.00 0.00 C ATOM 202 O GLN A 16 5.730 1.264 7.457 1.00 0.00 O ATOM 203 CB GLN A 16 8.210 1.068 9.340 1.00 0.00 C ATOM 204 CG GLN A 16 7.616 -0.029 10.209 1.00 0.00 C ATOM 205 CD GLN A 16 8.615 -1.124 10.529 1.00 0.00 C ATOM 206 OE1 GLN A 16 9.498 -1.428 9.727 1.00 0.00 O ATOM 207 NE2 GLN A 16 8.480 -1.722 11.707 1.00 0.00 N ATOM 0 H GLN A 16 8.005 2.858 7.388 1.00 0.00 H new ATOM 0 HA GLN A 16 8.713 -0.009 7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.269 1.173 9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.732 2.016 9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.250 0.407 11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.756 -0.464 9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.733 -1.438 12.341 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.123 -2.466 11.978 1.00 0.00 H new ATOM 216 N PHE A 17 6.397 -0.881 7.329 1.00 0.00 N ATOM 217 CA PHE A 17 5.067 -1.390 7.018 1.00 0.00 C ATOM 218 C PHE A 17 4.969 -2.881 7.329 1.00 0.00 C ATOM 219 O PHE A 17 5.967 -3.600 7.294 1.00 0.00 O ATOM 220 CB PHE A 17 4.734 -1.142 5.545 1.00 0.00 C ATOM 221 CG PHE A 17 5.713 -1.771 4.595 1.00 0.00 C ATOM 222 CD1 PHE A 17 6.852 -1.088 4.201 1.00 0.00 C ATOM 223 CD2 PHE A 17 5.494 -3.045 4.096 1.00 0.00 C ATOM 224 CE1 PHE A 17 7.755 -1.664 3.327 1.00 0.00 C ATOM 225 CE2 PHE A 17 6.393 -3.626 3.223 1.00 0.00 C ATOM 226 CZ PHE A 17 7.525 -2.934 2.837 1.00 0.00 C ATOM 0 H PHE A 17 7.121 -1.597 7.381 1.00 0.00 H new ATOM 0 HA PHE A 17 4.347 -0.858 7.640 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.737 -1.530 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.703 -0.068 5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.037 -0.094 4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.610 -3.590 4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.639 -1.121 3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.211 -4.620 2.842 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.228 -3.386 2.153 1.00 0.00 H new ATOM 236 N SER A 18 3.758 -3.337 7.634 1.00 0.00 N ATOM 237 CA SER A 18 3.529 -4.741 7.956 1.00 0.00 C ATOM 238 C SER A 18 2.829 -5.455 6.805 1.00 0.00 C ATOM 239 O SER A 18 2.042 -4.855 6.073 1.00 0.00 O ATOM 240 CB SER A 18 2.692 -4.863 9.232 1.00 0.00 C ATOM 241 OG SER A 18 1.308 -4.894 8.932 1.00 0.00 O ATOM 0 H SER A 18 2.921 -2.755 7.665 1.00 0.00 H new ATOM 0 HA SER A 18 4.498 -5.214 8.118 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.971 -5.770 9.769 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.906 -4.023 9.893 1.00 0.00 H new ATOM 0 HG SER A 18 1.178 -4.744 7.972 1.00 0.00 H new ATOM 247 N VAL A 19 3.121 -6.743 6.650 1.00 0.00 N ATOM 248 CA VAL A 19 2.520 -7.541 5.588 1.00 0.00 C ATOM 249 C VAL A 19 1.888 -8.811 6.147 1.00 0.00 C ATOM 250 O VAL A 19 2.470 -9.484 6.996 1.00 0.00 O ATOM 251 CB VAL A 19 3.558 -7.925 4.518 1.00 0.00 C ATOM 252 CG1 VAL A 19 2.916 -8.771 3.429 1.00 0.00 C ATOM 253 CG2 VAL A 19 4.199 -6.678 3.927 1.00 0.00 C ATOM 0 H VAL A 19 3.770 -7.256 7.247 1.00 0.00 H new ATOM 0 HA VAL A 19 1.747 -6.925 5.128 1.00 0.00 H new ATOM 0 HB VAL A 19 4.340 -8.519 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.666 -9.032 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.509 -9.682 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.113 -8.206 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.930 -6.968 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.430 -6.057 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.696 -6.115 4.717 1.00 0.00 H new ATOM 263 N GLY A 20 0.693 -9.134 5.662 1.00 0.00 N ATOM 264 CA GLY A 20 0.002 -10.324 6.124 1.00 0.00 C ATOM 265 C GLY A 20 -1.287 -10.577 5.366 1.00 0.00 C ATOM 266 O GLY A 20 -2.188 -9.738 5.364 1.00 0.00 O ATOM 0 H GLY A 20 0.191 -8.593 4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.659 -11.187 6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.219 -10.223 7.187 1.00 0.00 H new ATOM 270 N TYR A 21 -1.374 -11.734 4.720 1.00 0.00 N ATOM 271 CA TYR A 21 -2.559 -12.093 3.951 1.00 0.00 C ATOM 272 C TYR A 21 -3.389 -13.141 4.687 1.00 0.00 C ATOM 273 O TYR A 21 -2.847 -14.072 5.281 1.00 0.00 O ATOM 274 CB TYR A 21 -2.159 -12.619 2.572 1.00 0.00 C ATOM 275 CG TYR A 21 -3.337 -12.987 1.698 1.00 0.00 C ATOM 276 CD1 TYR A 21 -3.908 -14.252 1.764 1.00 0.00 C ATOM 277 CD2 TYR A 21 -3.880 -12.068 0.809 1.00 0.00 C ATOM 278 CE1 TYR A 21 -4.984 -14.592 0.967 1.00 0.00 C ATOM 279 CE2 TYR A 21 -4.957 -12.399 0.009 1.00 0.00 C ATOM 280 CZ TYR A 21 -5.505 -13.662 0.091 1.00 0.00 C ATOM 281 OH TYR A 21 -6.578 -13.996 -0.703 1.00 0.00 O ATOM 0 H TYR A 21 -0.638 -12.440 4.714 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.166 -11.196 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.562 -11.862 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.523 -13.495 2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.504 -14.982 2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.453 -11.078 0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.415 -15.580 1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.367 -11.673 -0.677 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.589 -13.422 -1.497 1.00 0.00 H new ATOM 291 N ASN A 22 -4.707 -12.982 4.641 1.00 0.00 N ATOM 292 CA ASN A 22 -5.613 -13.914 5.303 1.00 0.00 C ATOM 293 C ASN A 22 -6.149 -14.945 4.315 1.00 0.00 C ATOM 294 O ASN A 22 -6.380 -14.639 3.145 1.00 0.00 O ATOM 295 CB ASN A 22 -6.776 -13.156 5.948 1.00 0.00 C ATOM 296 CG ASN A 22 -7.323 -13.869 7.170 1.00 0.00 C ATOM 297 OD1 ASN A 22 -7.099 -13.442 8.303 1.00 0.00 O ATOM 298 ND2 ASN A 22 -8.044 -14.960 6.944 1.00 0.00 N ATOM 0 H ASN A 22 -5.172 -12.217 4.152 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.054 -14.437 6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.443 -12.158 6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.574 -13.030 5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.438 -15.482 7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.204 -15.277 5.988 1.00 0.00 H new ATOM 305 N PHE A 23 -6.346 -16.169 4.794 1.00 0.00 N ATOM 306 CA PHE A 23 -6.855 -17.247 3.953 1.00 0.00 C ATOM 307 C PHE A 23 -8.380 -17.232 3.915 1.00 0.00 C ATOM 308 O PHE A 23 -8.983 -17.144 2.845 1.00 0.00 O ATOM 309 CB PHE A 23 -6.359 -18.600 4.467 1.00 0.00 C ATOM 310 CG PHE A 23 -4.965 -18.936 4.021 1.00 0.00 C ATOM 311 CD1 PHE A 23 -3.939 -18.015 4.158 1.00 0.00 C ATOM 312 CD2 PHE A 23 -4.680 -20.173 3.465 1.00 0.00 C ATOM 313 CE1 PHE A 23 -2.654 -18.321 3.749 1.00 0.00 C ATOM 314 CE2 PHE A 23 -3.398 -20.485 3.055 1.00 0.00 C ATOM 315 CZ PHE A 23 -2.384 -19.558 3.196 1.00 0.00 C ATOM 0 H PHE A 23 -6.161 -16.439 5.760 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.482 -17.092 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.393 -18.601 5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.039 -19.381 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.145 -17.047 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.469 -20.902 3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.863 -17.594 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.189 -21.453 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.382 -19.800 2.875 1.00 0.00 H new ATOM 325 N GLN A 24 -8.997 -17.319 5.089 1.00 0.00 N ATOM 326 CA GLN A 24 -10.451 -17.318 5.189 1.00 0.00 C ATOM 327 C GLN A 24 -11.054 -16.205 4.339 1.00 0.00 C ATOM 328 O GLN A 24 -11.716 -16.467 3.335 1.00 0.00 O ATOM 329 CB GLN A 24 -10.883 -17.153 6.647 1.00 0.00 C ATOM 330 CG GLN A 24 -10.522 -18.339 7.527 1.00 0.00 C ATOM 331 CD GLN A 24 -11.423 -18.462 8.740 1.00 0.00 C ATOM 332 OE1 GLN A 24 -11.213 -17.795 9.753 1.00 0.00 O ATOM 333 NE2 GLN A 24 -12.434 -19.317 8.643 1.00 0.00 N ATOM 0 H GLN A 24 -8.513 -17.391 5.984 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.816 -18.275 4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.420 -16.254 7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.962 -17.000 6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.584 -19.255 6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.488 -18.241 7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.571 -19.850 7.784 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.074 -19.441 9.428 1.00 0.00 H new ATOM 342 N GLU A 25 -10.821 -14.961 4.748 1.00 0.00 N ATOM 343 CA GLU A 25 -11.343 -13.809 4.024 1.00 0.00 C ATOM 344 C GLU A 25 -10.638 -13.645 2.681 1.00 0.00 C ATOM 345 O GLU A 25 -11.113 -12.926 1.802 1.00 0.00 O ATOM 346 CB GLU A 25 -11.177 -12.536 4.858 1.00 0.00 C ATOM 347 CG GLU A 25 -12.169 -12.426 6.003 1.00 0.00 C ATOM 348 CD GLU A 25 -13.610 -12.509 5.538 1.00 0.00 C ATOM 349 OE1 GLU A 25 -14.072 -13.629 5.235 1.00 0.00 O ATOM 350 OE2 GLU A 25 -14.275 -11.454 5.477 1.00 0.00 O ATOM 0 H GLU A 25 -10.274 -14.726 5.577 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.404 -13.979 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.165 -12.505 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.288 -11.668 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.977 -13.222 6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.013 -11.481 6.524 1.00 0.00 H new ATOM 357 N SER A 26 -9.501 -14.318 2.530 1.00 0.00 N ATOM 358 CA SER A 26 -8.727 -14.244 1.296 1.00 0.00 C ATOM 359 C SER A 26 -8.442 -12.794 0.919 1.00 0.00 C ATOM 360 O SER A 26 -8.607 -12.395 -0.234 1.00 0.00 O ATOM 361 CB SER A 26 -9.475 -14.941 0.158 1.00 0.00 C ATOM 362 OG SER A 26 -10.543 -14.140 -0.316 1.00 0.00 O ATOM 0 H SER A 26 -9.096 -14.920 3.247 1.00 0.00 H new ATOM 0 HA SER A 26 -7.777 -14.751 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.785 -15.153 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.861 -15.899 0.506 1.00 0.00 H new ATOM 0 HG SER A 26 -10.794 -13.489 0.372 1.00 0.00 H new ATOM 368 N THR A 27 -8.013 -12.007 1.901 1.00 0.00 N ATOM 369 CA THR A 27 -7.705 -10.600 1.675 1.00 0.00 C ATOM 370 C THR A 27 -6.311 -10.254 2.184 1.00 0.00 C ATOM 371 O THR A 27 -5.781 -10.917 3.076 1.00 0.00 O ATOM 372 CB THR A 27 -8.733 -9.683 2.363 1.00 0.00 C ATOM 373 OG1 THR A 27 -10.061 -10.149 2.098 1.00 0.00 O ATOM 374 CG2 THR A 27 -8.588 -8.248 1.879 1.00 0.00 C ATOM 0 H THR A 27 -7.871 -12.321 2.861 1.00 0.00 H new ATOM 0 HA THR A 27 -7.746 -10.436 0.598 1.00 0.00 H new ATOM 0 HB THR A 27 -8.547 -9.708 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.174 -10.284 1.134 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.325 -7.619 2.379 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.586 -7.886 2.109 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.749 -8.209 0.802 1.00 0.00 H new ATOM 382 N LEU A 28 -5.721 -9.210 1.612 1.00 0.00 N ATOM 383 CA LEU A 28 -4.386 -8.774 2.008 1.00 0.00 C ATOM 384 C LEU A 28 -4.463 -7.621 3.004 1.00 0.00 C ATOM 385 O LEU A 28 -5.334 -6.756 2.903 1.00 0.00 O ATOM 386 CB LEU A 28 -3.581 -8.348 0.779 1.00 0.00 C ATOM 387 CG LEU A 28 -2.135 -7.923 1.038 1.00 0.00 C ATOM 388 CD1 LEU A 28 -1.289 -9.122 1.434 1.00 0.00 C ATOM 389 CD2 LEU A 28 -1.553 -7.238 -0.190 1.00 0.00 C ATOM 0 H LEU A 28 -6.146 -8.650 0.873 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.885 -9.614 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.574 -9.175 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.101 -7.520 0.298 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.127 -7.212 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.263 -8.800 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.694 -9.569 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.302 -9.858 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.524 -6.942 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.574 -7.927 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.144 -6.354 -0.428 1.00 0.00 H new ATOM 401 N THR A 29 -3.545 -7.613 3.965 1.00 0.00 N ATOM 402 CA THR A 29 -3.508 -6.566 4.979 1.00 0.00 C ATOM 403 C THR A 29 -2.161 -5.853 4.984 1.00 0.00 C ATOM 404 O THR A 29 -1.140 -6.435 5.350 1.00 0.00 O ATOM 405 CB THR A 29 -3.780 -7.135 6.384 1.00 0.00 C ATOM 406 OG1 THR A 29 -5.018 -7.856 6.390 1.00 0.00 O ATOM 407 CG2 THR A 29 -3.831 -6.021 7.419 1.00 0.00 C ATOM 0 H THR A 29 -2.817 -8.320 4.063 1.00 0.00 H new ATOM 0 HA THR A 29 -4.293 -5.853 4.726 1.00 0.00 H new ATOM 0 HB THR A 29 -2.965 -7.811 6.642 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.183 -8.216 7.287 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.024 -6.447 8.403 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.877 -5.493 7.433 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.628 -5.323 7.163 1.00 0.00 H new ATOM 415 N VAL A 30 -2.165 -4.588 4.575 1.00 0.00 N ATOM 416 CA VAL A 30 -0.943 -3.794 4.535 1.00 0.00 C ATOM 417 C VAL A 30 -1.042 -2.585 5.458 1.00 0.00 C ATOM 418 O VAL A 30 -1.696 -1.594 5.134 1.00 0.00 O ATOM 419 CB VAL A 30 -0.635 -3.311 3.105 1.00 0.00 C ATOM 420 CG1 VAL A 30 0.680 -2.547 3.071 1.00 0.00 C ATOM 421 CG2 VAL A 30 -0.604 -4.486 2.141 1.00 0.00 C ATOM 0 H VAL A 30 -3.001 -4.091 4.267 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.134 -4.441 4.875 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.429 -2.634 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.881 -2.214 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.615 -1.681 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.488 -3.198 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.385 -4.126 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.168 -5.190 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.573 -4.985 2.145 1.00 0.00 H new ATOM 431 N LYS A 31 -0.387 -2.673 6.611 1.00 0.00 N ATOM 432 CA LYS A 31 -0.398 -1.586 7.583 1.00 0.00 C ATOM 433 C LYS A 31 0.872 -0.749 7.478 1.00 0.00 C ATOM 434 O LYS A 31 1.977 -1.251 7.690 1.00 0.00 O ATOM 435 CB LYS A 31 -0.539 -2.144 9.001 1.00 0.00 C ATOM 436 CG LYS A 31 0.060 -1.246 10.070 1.00 0.00 C ATOM 437 CD LYS A 31 -0.370 -1.675 11.463 1.00 0.00 C ATOM 438 CE LYS A 31 -1.759 -1.156 11.802 1.00 0.00 C ATOM 439 NZ LYS A 31 -2.448 -2.026 12.795 1.00 0.00 N ATOM 0 H LYS A 31 0.159 -3.487 6.895 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.252 -0.945 7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.596 -2.298 9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.058 -3.121 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.147 -1.271 10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.247 -0.215 9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.361 -2.763 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.347 -1.305 12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.682 -0.143 12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.357 -1.098 10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.391 -1.639 13.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.544 -2.986 12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.890 -2.061 13.672 1.00 0.00 H new ATOM 453 N ILE A 32 0.709 0.528 7.151 1.00 0.00 N ATOM 454 CA ILE A 32 1.843 1.434 7.022 1.00 0.00 C ATOM 455 C ILE A 32 2.131 2.147 8.338 1.00 0.00 C ATOM 456 O ILE A 32 1.602 3.227 8.600 1.00 0.00 O ATOM 457 CB ILE A 32 1.600 2.487 5.923 1.00 0.00 C ATOM 458 CG1 ILE A 32 1.088 1.815 4.648 1.00 0.00 C ATOM 459 CG2 ILE A 32 2.878 3.264 5.643 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.128 0.965 3.953 1.00 0.00 C ATOM 0 H ILE A 32 -0.198 0.959 6.970 1.00 0.00 H new ATOM 0 HA ILE A 32 2.704 0.824 6.747 1.00 0.00 H new ATOM 0 HB ILE A 32 0.841 3.188 6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.228 1.193 4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.738 2.583 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.691 4.004 4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.204 3.769 6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.656 2.577 5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.695 0.520 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.979 1.587 3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.461 0.175 4.626 1.00 0.00 H new ATOM 472 N MET A 33 2.974 1.536 9.164 1.00 0.00 N ATOM 473 CA MET A 33 3.335 2.114 10.453 1.00 0.00 C ATOM 474 C MET A 33 3.544 3.621 10.334 1.00 0.00 C ATOM 475 O MET A 33 2.699 4.411 10.755 1.00 0.00 O ATOM 476 CB MET A 33 4.603 1.453 10.996 1.00 0.00 C ATOM 477 CG MET A 33 4.445 -0.035 11.266 1.00 0.00 C ATOM 478 SD MET A 33 3.848 -0.379 12.932 1.00 0.00 S ATOM 479 CE MET A 33 4.085 -2.152 13.017 1.00 0.00 C ATOM 0 H MET A 33 3.420 0.641 8.964 1.00 0.00 H new ATOM 0 HA MET A 33 2.514 1.932 11.147 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.414 1.600 10.283 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.896 1.952 11.919 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.751 -0.460 10.541 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.404 -0.531 11.118 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.761 -2.516 13.992 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.499 -2.635 12.236 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.140 -2.385 12.876 1.00 0.00 H new ATOM 489 N LYS A 34 4.676 4.012 9.758 1.00 0.00 N ATOM 490 CA LYS A 34 4.997 5.424 9.582 1.00 0.00 C ATOM 491 C LYS A 34 6.287 5.593 8.786 1.00 0.00 C ATOM 492 O LYS A 34 6.900 4.614 8.364 1.00 0.00 O ATOM 493 CB LYS A 34 5.131 6.111 10.943 1.00 0.00 C ATOM 494 CG LYS A 34 6.420 5.771 11.671 1.00 0.00 C ATOM 495 CD LYS A 34 6.627 4.269 11.766 1.00 0.00 C ATOM 496 CE LYS A 34 7.625 3.911 12.857 1.00 0.00 C ATOM 497 NZ LYS A 34 8.675 4.956 13.012 1.00 0.00 N ATOM 0 H LYS A 34 5.387 3.371 9.405 1.00 0.00 H new ATOM 0 HA LYS A 34 4.184 5.890 9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.077 7.191 10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.285 5.828 11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.264 6.223 11.150 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.397 6.200 12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.674 3.782 11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.982 3.888 10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.099 3.782 13.803 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.095 2.956 12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.508 4.545 13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.947 5.316 12.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.304 5.738 13.589 1.00 0.00 H new ATOM 511 N ALA A 35 6.693 6.843 8.585 1.00 0.00 N ATOM 512 CA ALA A 35 7.912 7.140 7.843 1.00 0.00 C ATOM 513 C ALA A 35 8.913 7.895 8.711 1.00 0.00 C ATOM 514 O ALA A 35 8.538 8.530 9.696 1.00 0.00 O ATOM 515 CB ALA A 35 7.585 7.942 6.592 1.00 0.00 C ATOM 0 H ALA A 35 6.195 7.666 8.926 1.00 0.00 H new ATOM 0 HA ALA A 35 8.368 6.195 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.504 8.157 6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.912 7.366 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.104 8.878 6.875 1.00 0.00 H new ATOM 521 N GLN A 36 10.187 7.819 8.338 1.00 0.00 N ATOM 522 CA GLN A 36 11.242 8.494 9.085 1.00 0.00 C ATOM 523 C GLN A 36 12.425 8.822 8.180 1.00 0.00 C ATOM 524 O GLN A 36 12.652 8.151 7.173 1.00 0.00 O ATOM 525 CB GLN A 36 11.704 7.625 10.255 1.00 0.00 C ATOM 526 CG GLN A 36 10.570 7.166 11.157 1.00 0.00 C ATOM 527 CD GLN A 36 11.062 6.648 12.495 1.00 0.00 C ATOM 528 OE1 GLN A 36 12.132 6.047 12.585 1.00 0.00 O ATOM 529 NE2 GLN A 36 10.280 6.879 13.543 1.00 0.00 N ATOM 0 H GLN A 36 10.513 7.298 7.524 1.00 0.00 H new ATOM 0 HA GLN A 36 10.837 9.428 9.474 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.223 6.750 9.864 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.426 8.185 10.849 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.884 7.997 11.323 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.005 6.382 10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.401 7.382 13.422 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.559 6.554 14.469 1.00 0.00 H new ATOM 538 N GLU A 37 13.175 9.856 8.546 1.00 0.00 N ATOM 539 CA GLU A 37 14.335 10.272 7.765 1.00 0.00 C ATOM 540 C GLU A 37 13.918 10.712 6.365 1.00 0.00 C ATOM 541 O GLU A 37 14.619 10.452 5.386 1.00 0.00 O ATOM 542 CB GLU A 37 15.351 9.132 7.673 1.00 0.00 C ATOM 543 CG GLU A 37 15.950 8.740 9.013 1.00 0.00 C ATOM 544 CD GLU A 37 17.241 7.958 8.868 1.00 0.00 C ATOM 545 OE1 GLU A 37 18.293 8.587 8.629 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.199 6.716 8.996 1.00 0.00 O ATOM 0 H GLU A 37 13.001 10.421 9.377 1.00 0.00 H new ATOM 0 HA GLU A 37 14.797 11.120 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.867 8.260 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.154 9.426 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.138 9.639 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.228 8.142 9.569 1.00 0.00 H new ATOM 553 N LEU A 38 12.773 11.379 6.277 1.00 0.00 N ATOM 554 CA LEU A 38 12.261 11.856 4.997 1.00 0.00 C ATOM 555 C LEU A 38 12.829 13.231 4.661 1.00 0.00 C ATOM 556 O LEU A 38 12.870 14.134 5.497 1.00 0.00 O ATOM 557 CB LEU A 38 10.733 11.915 5.026 1.00 0.00 C ATOM 558 CG LEU A 38 10.010 10.569 5.088 1.00 0.00 C ATOM 559 CD1 LEU A 38 8.542 10.735 4.729 1.00 0.00 C ATOM 560 CD2 LEU A 38 10.677 9.563 4.161 1.00 0.00 C ATOM 0 H LEU A 38 12.181 11.602 7.077 1.00 0.00 H new ATOM 0 HA LEU A 38 12.576 11.155 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.429 12.508 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.393 12.447 4.137 1.00 0.00 H new ATOM 0 HG LEU A 38 10.073 10.191 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.044 9.767 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.071 11.422 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.458 11.135 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.150 8.611 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.645 9.935 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.715 9.422 4.464 1.00 0.00 H new ATOM 572 N PRO A 39 13.276 13.397 3.408 1.00 0.00 N ATOM 573 CA PRO A 39 13.847 14.661 2.932 1.00 0.00 C ATOM 574 C PRO A 39 12.798 15.761 2.808 1.00 0.00 C ATOM 575 O PRO A 39 11.601 15.484 2.735 1.00 0.00 O ATOM 576 CB PRO A 39 14.409 14.300 1.554 1.00 0.00 C ATOM 577 CG PRO A 39 13.600 13.131 1.110 1.00 0.00 C ATOM 578 CD PRO A 39 13.259 12.365 2.358 1.00 0.00 C ATOM 0 HA PRO A 39 14.593 15.056 3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.316 15.133 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.468 14.050 1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.697 13.455 0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.162 12.510 0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.283 11.886 2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.986 11.577 2.557 1.00 0.00 H new ATOM 586 N ALA A 40 13.255 17.008 2.784 1.00 0.00 N ATOM 587 CA ALA A 40 12.355 18.149 2.666 1.00 0.00 C ATOM 588 C ALA A 40 12.392 18.734 1.258 1.00 0.00 C ATOM 589 O ALA A 40 13.229 18.356 0.439 1.00 0.00 O ATOM 590 CB ALA A 40 12.716 19.214 3.691 1.00 0.00 C ATOM 0 H ALA A 40 14.243 17.254 2.845 1.00 0.00 H new ATOM 0 HA ALA A 40 11.340 17.802 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.036 20.060 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.632 18.797 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.739 19.549 3.522 1.00 0.00 H new ATOM 668 N THR A 46 9.711 21.773 5.158 1.00 0.00 N ATOM 669 CA THR A 46 8.451 21.050 5.275 1.00 0.00 C ATOM 670 C THR A 46 8.068 20.397 3.952 1.00 0.00 C ATOM 671 O THR A 46 8.468 20.856 2.883 1.00 0.00 O ATOM 672 CB THR A 46 7.309 21.980 5.725 1.00 0.00 C ATOM 673 OG1 THR A 46 7.496 23.288 5.174 1.00 0.00 O ATOM 674 CG2 THR A 46 7.248 22.067 7.242 1.00 0.00 C ATOM 0 HA THR A 46 8.599 20.277 6.030 1.00 0.00 H new ATOM 0 HB THR A 46 6.368 21.565 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.423 23.386 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.434 22.729 7.536 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.076 21.074 7.657 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.191 22.460 7.622 1.00 0.00 H new ATOM 682 N SER A 47 7.289 19.322 4.032 1.00 0.00 N ATOM 683 CA SER A 47 6.854 18.604 2.840 1.00 0.00 C ATOM 684 C SER A 47 5.631 17.743 3.141 1.00 0.00 C ATOM 685 O SER A 47 5.392 17.363 4.287 1.00 0.00 O ATOM 686 CB SER A 47 7.989 17.728 2.304 1.00 0.00 C ATOM 687 OG SER A 47 8.923 18.498 1.567 1.00 0.00 O ATOM 0 H SER A 47 6.947 18.930 4.909 1.00 0.00 H new ATOM 0 HA SER A 47 6.582 19.339 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.494 17.234 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.578 16.943 1.669 1.00 0.00 H new ATOM 0 HG SER A 47 8.849 19.440 1.828 1.00 0.00 H new ATOM 693 N ASP A 48 4.860 17.439 2.103 1.00 0.00 N ATOM 694 CA ASP A 48 3.661 16.622 2.254 1.00 0.00 C ATOM 695 C ASP A 48 3.869 15.236 1.653 1.00 0.00 C ATOM 696 O ASP A 48 3.430 14.942 0.540 1.00 0.00 O ATOM 697 CB ASP A 48 2.465 17.306 1.589 1.00 0.00 C ATOM 698 CG ASP A 48 2.545 18.818 1.667 1.00 0.00 C ATOM 699 OD1 ASP A 48 3.148 19.331 2.633 1.00 0.00 O ATOM 700 OD2 ASP A 48 2.006 19.488 0.762 1.00 0.00 O ATOM 0 H ASP A 48 5.044 17.746 1.148 1.00 0.00 H new ATOM 0 HA ASP A 48 3.459 16.510 3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.411 17.001 0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.545 16.969 2.067 1.00 0.00 H new ATOM 705 N PRO A 49 4.554 14.361 2.404 1.00 0.00 N ATOM 706 CA PRO A 49 4.836 12.991 1.966 1.00 0.00 C ATOM 707 C PRO A 49 3.582 12.125 1.928 1.00 0.00 C ATOM 708 O PRO A 49 2.580 12.438 2.570 1.00 0.00 O ATOM 709 CB PRO A 49 5.812 12.474 3.025 1.00 0.00 C ATOM 710 CG PRO A 49 5.519 13.286 4.239 1.00 0.00 C ATOM 711 CD PRO A 49 5.106 14.643 3.740 1.00 0.00 C ATOM 0 HA PRO A 49 5.232 12.961 0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.664 11.411 3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.846 12.600 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.726 12.830 4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.396 13.357 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.364 15.103 4.393 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.953 15.327 3.689 1.00 0.00 H new ATOM 719 N PHE A 50 3.645 11.034 1.171 1.00 0.00 N ATOM 720 CA PHE A 50 2.513 10.122 1.049 1.00 0.00 C ATOM 721 C PHE A 50 2.939 8.812 0.393 1.00 0.00 C ATOM 722 O PHE A 50 3.648 8.811 -0.614 1.00 0.00 O ATOM 723 CB PHE A 50 1.392 10.773 0.236 1.00 0.00 C ATOM 724 CG PHE A 50 1.609 10.699 -1.249 1.00 0.00 C ATOM 725 CD1 PHE A 50 1.254 9.563 -1.958 1.00 0.00 C ATOM 726 CD2 PHE A 50 2.167 11.766 -1.934 1.00 0.00 C ATOM 727 CE1 PHE A 50 1.451 9.492 -3.324 1.00 0.00 C ATOM 728 CE2 PHE A 50 2.366 11.701 -3.300 1.00 0.00 C ATOM 729 CZ PHE A 50 2.009 10.562 -3.996 1.00 0.00 C ATOM 0 H PHE A 50 4.467 10.760 0.633 1.00 0.00 H new ATOM 0 HA PHE A 50 2.145 9.903 2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.447 10.289 0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.300 11.818 0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.818 8.723 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.449 12.658 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.169 8.601 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.800 12.540 -3.823 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.166 10.508 -5.063 1.00 0.00 H new ATOM 739 N VAL A 51 2.502 7.698 0.971 1.00 0.00 N ATOM 740 CA VAL A 51 2.836 6.381 0.444 1.00 0.00 C ATOM 741 C VAL A 51 1.829 5.940 -0.613 1.00 0.00 C ATOM 742 O VAL A 51 0.640 6.244 -0.518 1.00 0.00 O ATOM 743 CB VAL A 51 2.886 5.324 1.563 1.00 0.00 C ATOM 744 CG1 VAL A 51 3.458 4.016 1.037 1.00 0.00 C ATOM 745 CG2 VAL A 51 3.699 5.835 2.743 1.00 0.00 C ATOM 0 H VAL A 51 1.915 7.682 1.805 1.00 0.00 H new ATOM 0 HA VAL A 51 3.823 6.464 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 51 1.869 5.136 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.486 3.281 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.830 3.644 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.468 4.184 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.724 5.075 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.716 6.053 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.241 6.743 3.135 1.00 0.00 H new ATOM 755 N LYS A 52 2.313 5.221 -1.620 1.00 0.00 N ATOM 756 CA LYS A 52 1.456 4.736 -2.695 1.00 0.00 C ATOM 757 C LYS A 52 1.631 3.234 -2.894 1.00 0.00 C ATOM 758 O LYS A 52 2.715 2.767 -3.245 1.00 0.00 O ATOM 759 CB LYS A 52 1.770 5.474 -3.998 1.00 0.00 C ATOM 760 CG LYS A 52 0.570 5.624 -4.917 1.00 0.00 C ATOM 761 CD LYS A 52 0.975 6.155 -6.282 1.00 0.00 C ATOM 762 CE LYS A 52 1.565 7.553 -6.182 1.00 0.00 C ATOM 763 NZ LYS A 52 2.081 8.032 -7.495 1.00 0.00 N ATOM 0 H LYS A 52 3.295 4.961 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 52 0.420 4.930 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.161 6.463 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.558 4.939 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.077 4.659 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.155 6.300 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.704 5.482 -6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.106 6.172 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.804 8.243 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.374 7.555 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.475 8.988 -7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.825 7.388 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.304 8.055 -8.186 1.00 0.00 H new ATOM 777 N ILE A 53 0.558 2.483 -2.668 1.00 0.00 N ATOM 778 CA ILE A 53 0.593 1.034 -2.826 1.00 0.00 C ATOM 779 C ILE A 53 0.225 0.626 -4.248 1.00 0.00 C ATOM 780 O ILE A 53 -0.690 1.190 -4.850 1.00 0.00 O ATOM 781 CB ILE A 53 -0.363 0.337 -1.840 1.00 0.00 C ATOM 782 CG1 ILE A 53 -0.041 0.752 -0.403 1.00 0.00 C ATOM 783 CG2 ILE A 53 -0.273 -1.174 -1.994 1.00 0.00 C ATOM 784 CD1 ILE A 53 -1.206 0.593 0.548 1.00 0.00 C ATOM 0 H ILE A 53 -0.346 2.854 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 53 1.615 0.719 -2.614 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.384 0.646 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.797 0.156 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.282 1.793 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.954 -1.653 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.547 -1.453 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.747 -1.500 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.905 0.906 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.038 1.210 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.516 -0.452 0.573 1.00 0.00 H new ATOM 796 N TYR A 54 0.942 -0.357 -4.780 1.00 0.00 N ATOM 797 CA TYR A 54 0.691 -0.841 -6.133 1.00 0.00 C ATOM 798 C TYR A 54 0.975 -2.336 -6.238 1.00 0.00 C ATOM 799 O TYR A 54 2.055 -2.803 -5.874 1.00 0.00 O ATOM 800 CB TYR A 54 1.552 -0.075 -7.138 1.00 0.00 C ATOM 801 CG TYR A 54 0.851 1.116 -7.752 1.00 0.00 C ATOM 802 CD1 TYR A 54 0.578 2.251 -6.997 1.00 0.00 C ATOM 803 CD2 TYR A 54 0.464 1.108 -9.086 1.00 0.00 C ATOM 804 CE1 TYR A 54 -0.063 3.341 -7.553 1.00 0.00 C ATOM 805 CE2 TYR A 54 -0.176 2.195 -9.651 1.00 0.00 C ATOM 806 CZ TYR A 54 -0.437 3.308 -8.880 1.00 0.00 C ATOM 807 OH TYR A 54 -1.074 4.393 -9.438 1.00 0.00 O ATOM 0 H TYR A 54 1.702 -0.835 -4.295 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.361 -0.673 -6.363 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.460 0.265 -6.641 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.859 -0.755 -7.933 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.872 2.281 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.667 0.237 -9.692 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.270 4.214 -6.952 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.470 2.173 -10.690 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.268 4.209 -10.381 1.00 0.00 H new ATOM 817 N LEU A 55 -0.003 -3.083 -6.740 1.00 0.00 N ATOM 818 CA LEU A 55 0.140 -4.527 -6.895 1.00 0.00 C ATOM 819 C LEU A 55 0.688 -4.874 -8.275 1.00 0.00 C ATOM 820 O LEU A 55 -0.053 -5.311 -9.157 1.00 0.00 O ATOM 821 CB LEU A 55 -1.207 -5.218 -6.679 1.00 0.00 C ATOM 822 CG LEU A 55 -1.631 -5.424 -5.224 1.00 0.00 C ATOM 823 CD1 LEU A 55 -2.771 -6.426 -5.137 1.00 0.00 C ATOM 824 CD2 LEU A 55 -0.448 -5.883 -4.384 1.00 0.00 C ATOM 0 H LEU A 55 -0.903 -2.713 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 55 0.847 -4.881 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.977 -4.633 -7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.176 -6.191 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.983 -4.471 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.059 -6.560 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.625 -6.056 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.448 -7.382 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.768 -6.025 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.066 -6.825 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.338 -5.129 -4.420 1.00 0.00 H new ATOM 836 N LEU A 56 1.989 -4.680 -8.456 1.00 0.00 N ATOM 837 CA LEU A 56 2.638 -4.975 -9.729 1.00 0.00 C ATOM 838 C LEU A 56 2.594 -6.470 -10.029 1.00 0.00 C ATOM 839 O LEU A 56 2.574 -7.309 -9.127 1.00 0.00 O ATOM 840 CB LEU A 56 4.089 -4.490 -9.709 1.00 0.00 C ATOM 841 CG LEU A 56 4.320 -3.088 -9.145 1.00 0.00 C ATOM 842 CD1 LEU A 56 5.792 -2.875 -8.829 1.00 0.00 C ATOM 843 CD2 LEU A 56 3.824 -2.031 -10.122 1.00 0.00 C ATOM 0 H LEU A 56 2.616 -4.319 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 56 2.096 -4.449 -10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.679 -5.196 -9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.475 -4.518 -10.728 1.00 0.00 H new ATOM 0 HG LEU A 56 3.753 -2.993 -8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.937 -1.872 -8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.116 -3.610 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.380 -2.991 -9.739 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.997 -1.039 -9.704 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.362 -2.126 -11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.757 -2.170 -10.298 1.00 0.00 H new ATOM 855 N PRO A 57 2.580 -6.814 -11.325 1.00 0.00 N ATOM 856 CA PRO A 57 2.603 -5.824 -12.406 1.00 0.00 C ATOM 857 C PRO A 57 1.300 -5.037 -12.500 1.00 0.00 C ATOM 858 O PRO A 57 1.311 -3.811 -12.605 1.00 0.00 O ATOM 859 CB PRO A 57 2.805 -6.676 -13.662 1.00 0.00 C ATOM 860 CG PRO A 57 2.264 -8.016 -13.302 1.00 0.00 C ATOM 861 CD PRO A 57 2.541 -8.194 -11.835 1.00 0.00 C ATOM 0 HA PRO A 57 3.378 -5.073 -12.254 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.277 -6.253 -14.517 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.859 -6.735 -13.935 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.195 -8.073 -13.507 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.743 -8.801 -13.888 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.762 -8.781 -11.347 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.485 -8.712 -11.664 1.00 0.00 H new ATOM 869 N ASP A 58 0.180 -5.751 -12.461 1.00 0.00 N ATOM 870 CA ASP A 58 -1.132 -5.119 -12.540 1.00 0.00 C ATOM 871 C ASP A 58 -1.116 -3.748 -11.871 1.00 0.00 C ATOM 872 O ASP A 58 -0.716 -3.615 -10.714 1.00 0.00 O ATOM 873 CB ASP A 58 -2.190 -6.008 -11.886 1.00 0.00 C ATOM 874 CG ASP A 58 -2.342 -5.731 -10.403 1.00 0.00 C ATOM 875 OD1 ASP A 58 -2.789 -4.620 -10.050 1.00 0.00 O ATOM 876 OD2 ASP A 58 -2.013 -6.625 -9.595 1.00 0.00 O ATOM 0 H ASP A 58 0.154 -6.767 -12.375 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.381 -4.986 -13.593 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.148 -5.852 -12.382 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.922 -7.054 -12.032 1.00 0.00 H new ATOM 881 N LYS A 59 -1.553 -2.731 -12.606 1.00 0.00 N ATOM 882 CA LYS A 59 -1.590 -1.370 -12.084 1.00 0.00 C ATOM 883 C LYS A 59 -2.997 -0.789 -12.179 1.00 0.00 C ATOM 884 O LYS A 59 -3.201 0.407 -11.970 1.00 0.00 O ATOM 885 CB LYS A 59 -0.607 -0.482 -12.850 1.00 0.00 C ATOM 886 CG LYS A 59 0.830 -0.972 -12.790 1.00 0.00 C ATOM 887 CD LYS A 59 1.814 0.152 -13.067 1.00 0.00 C ATOM 888 CE LYS A 59 3.167 -0.388 -13.505 1.00 0.00 C ATOM 889 NZ LYS A 59 4.147 0.706 -13.753 1.00 0.00 N ATOM 0 H LYS A 59 -1.887 -2.824 -13.565 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.300 -1.402 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.919 -0.424 -13.893 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.654 0.530 -12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.030 -1.397 -11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.974 -1.770 -13.518 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.413 0.805 -13.842 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.936 0.759 -12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.556 -1.057 -12.738 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.046 -0.979 -14.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.056 0.297 -14.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.787 1.331 -14.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.283 1.255 -12.880 1.00 0.00 H new ATOM 903 N LYS A 60 -3.965 -1.643 -12.495 1.00 0.00 N ATOM 904 CA LYS A 60 -5.353 -1.215 -12.615 1.00 0.00 C ATOM 905 C LYS A 60 -5.862 -0.642 -11.297 1.00 0.00 C ATOM 906 O LYS A 60 -6.158 0.550 -11.200 1.00 0.00 O ATOM 907 CB LYS A 60 -6.234 -2.390 -13.046 1.00 0.00 C ATOM 908 CG LYS A 60 -5.825 -3.002 -14.375 1.00 0.00 C ATOM 909 CD LYS A 60 -6.939 -3.851 -14.964 1.00 0.00 C ATOM 910 CE LYS A 60 -7.874 -3.022 -15.830 1.00 0.00 C ATOM 911 NZ LYS A 60 -7.219 -2.585 -17.094 1.00 0.00 N ATOM 0 H LYS A 60 -3.813 -2.636 -12.673 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.402 -0.434 -13.373 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.200 -3.160 -12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.268 -2.052 -13.114 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.561 -2.210 -15.076 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.934 -3.615 -14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.508 -4.656 -15.559 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.506 -4.318 -14.159 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.764 -3.606 -16.065 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.205 -2.147 -15.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.947 -2.346 -17.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.629 -1.749 -16.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.623 -3.355 -17.460 1.00 0.00 H new ATOM 925 N HIS A 61 -5.960 -1.496 -10.283 1.00 0.00 N ATOM 926 CA HIS A 61 -6.432 -1.073 -8.969 1.00 0.00 C ATOM 927 C HIS A 61 -5.258 -0.757 -8.047 1.00 0.00 C ATOM 928 O HIS A 61 -4.478 -1.641 -7.692 1.00 0.00 O ATOM 929 CB HIS A 61 -7.309 -2.159 -8.345 1.00 0.00 C ATOM 930 CG HIS A 61 -8.728 -2.131 -8.823 1.00 0.00 C ATOM 931 ND1 HIS A 61 -9.513 -0.999 -8.784 1.00 0.00 N ATOM 932 CD2 HIS A 61 -9.501 -3.106 -9.355 1.00 0.00 C ATOM 933 CE1 HIS A 61 -10.709 -1.279 -9.270 1.00 0.00 C ATOM 934 NE2 HIS A 61 -10.728 -2.551 -9.624 1.00 0.00 N ATOM 0 H HIS A 61 -5.719 -2.485 -10.346 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.025 -0.167 -9.097 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.878 -3.135 -8.568 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.297 -2.046 -7.261 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -9.208 -4.130 -9.535 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -11.532 -0.585 -9.362 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -11.524 -3.041 -10.031 1.00 0.00 H new ATOM 943 N LYS A 62 -5.137 0.509 -7.664 1.00 0.00 N ATOM 944 CA LYS A 62 -4.060 0.943 -6.782 1.00 0.00 C ATOM 945 C LYS A 62 -4.614 1.668 -5.560 1.00 0.00 C ATOM 946 O LYS A 62 -5.701 2.247 -5.610 1.00 0.00 O ATOM 947 CB LYS A 62 -3.093 1.859 -7.537 1.00 0.00 C ATOM 948 CG LYS A 62 -3.635 3.260 -7.764 1.00 0.00 C ATOM 949 CD LYS A 62 -4.507 3.325 -9.007 1.00 0.00 C ATOM 950 CE LYS A 62 -4.737 4.762 -9.451 1.00 0.00 C ATOM 951 NZ LYS A 62 -5.872 5.393 -8.723 1.00 0.00 N ATOM 0 H LYS A 62 -5.772 1.254 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.523 0.057 -6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.159 1.926 -6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.857 1.409 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.214 3.572 -6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.806 3.961 -7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.035 2.765 -9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.466 2.847 -8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.830 5.343 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.936 4.783 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.996 6.371 -9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.743 4.853 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.671 5.396 -7.703 1.00 0.00 H new ATOM 965 N LEU A 63 -3.862 1.634 -4.466 1.00 0.00 N ATOM 966 CA LEU A 63 -4.278 2.290 -3.231 1.00 0.00 C ATOM 967 C LEU A 63 -3.153 3.151 -2.666 1.00 0.00 C ATOM 968 O LEU A 63 -1.980 2.928 -2.963 1.00 0.00 O ATOM 969 CB LEU A 63 -4.708 1.248 -2.197 1.00 0.00 C ATOM 970 CG LEU A 63 -5.787 1.690 -1.207 1.00 0.00 C ATOM 971 CD1 LEU A 63 -7.023 2.176 -1.948 1.00 0.00 C ATOM 972 CD2 LEU A 63 -6.142 0.551 -0.262 1.00 0.00 C ATOM 0 H LEU A 63 -2.961 1.159 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.125 2.937 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.069 0.367 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.828 0.942 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.395 2.517 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.780 2.486 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.758 3.021 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.418 1.369 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.911 0.883 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.515 -0.296 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.254 0.249 0.294 1.00 0.00 H new ATOM 984 N GLU A 64 -3.519 4.132 -1.847 1.00 0.00 N ATOM 985 CA GLU A 64 -2.539 5.025 -1.239 1.00 0.00 C ATOM 986 C GLU A 64 -3.019 5.511 0.125 1.00 0.00 C ATOM 987 O GLU A 64 -4.184 5.338 0.485 1.00 0.00 O ATOM 988 CB GLU A 64 -2.270 6.221 -2.154 1.00 0.00 C ATOM 989 CG GLU A 64 -3.321 7.314 -2.051 1.00 0.00 C ATOM 990 CD GLU A 64 -4.733 6.780 -2.185 1.00 0.00 C ATOM 991 OE1 GLU A 64 -5.032 6.144 -3.217 1.00 0.00 O ATOM 992 OE2 GLU A 64 -5.540 6.998 -1.257 1.00 0.00 O ATOM 0 H GLU A 64 -4.486 4.329 -1.589 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.613 4.467 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.295 6.642 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.219 5.874 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.218 7.822 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.143 8.058 -2.827 1.00 0.00 H new ATOM 999 N THR A 65 -2.112 6.120 0.883 1.00 0.00 N ATOM 1000 CA THR A 65 -2.440 6.630 2.208 1.00 0.00 C ATOM 1001 C THR A 65 -2.702 8.131 2.170 1.00 0.00 C ATOM 1002 O THR A 65 -2.377 8.804 1.192 1.00 0.00 O ATOM 1003 CB THR A 65 -1.312 6.342 3.216 1.00 0.00 C ATOM 1004 OG1 THR A 65 -0.094 6.953 2.776 1.00 0.00 O ATOM 1005 CG2 THR A 65 -1.103 4.845 3.382 1.00 0.00 C ATOM 0 H THR A 65 -1.144 6.272 0.601 1.00 0.00 H new ATOM 0 HA THR A 65 -3.345 6.114 2.530 1.00 0.00 H new ATOM 0 HB THR A 65 -1.601 6.761 4.180 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.216 7.589 3.454 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.301 4.667 4.099 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.023 4.387 3.745 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.835 4.406 2.421 1.00 0.00 H new ATOM 1013 N LYS A 66 -3.292 8.651 3.241 1.00 0.00 N ATOM 1014 CA LYS A 66 -3.597 10.074 3.332 1.00 0.00 C ATOM 1015 C LYS A 66 -2.335 10.913 3.153 1.00 0.00 C ATOM 1016 O LYS A 66 -1.240 10.377 2.981 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.247 10.392 4.680 1.00 0.00 C ATOM 1018 CG LYS A 66 -5.733 10.085 4.726 1.00 0.00 C ATOM 1019 CD LYS A 66 -6.557 11.224 4.149 1.00 0.00 C ATOM 1020 CE LYS A 66 -8.038 10.879 4.114 1.00 0.00 C ATOM 1021 NZ LYS A 66 -8.881 12.080 3.859 1.00 0.00 N ATOM 0 H LYS A 66 -3.569 8.108 4.059 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.294 10.323 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.743 9.822 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.095 11.447 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.934 9.171 4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.036 9.902 5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.406 12.123 4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.211 11.450 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.220 10.136 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.328 10.426 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.883 11.803 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.727 12.779 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.622 12.498 2.942 1.00 0.00 H new ATOM 1035 N VAL A 67 -2.496 12.232 3.196 1.00 0.00 N ATOM 1036 CA VAL A 67 -1.369 13.145 3.042 1.00 0.00 C ATOM 1037 C VAL A 67 -1.270 14.100 4.225 1.00 0.00 C ATOM 1038 O VAL A 67 -2.245 14.756 4.592 1.00 0.00 O ATOM 1039 CB VAL A 67 -1.485 13.964 1.743 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -0.321 14.935 1.618 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.553 13.041 0.535 1.00 0.00 C ATOM 0 H VAL A 67 -3.395 12.692 3.336 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.469 12.532 2.998 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.407 14.543 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.420 15.505 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.324 15.618 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.616 14.379 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.635 13.637 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.649 12.433 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.424 12.391 0.622 1.00 0.00 H new ATOM 1051 N LYS A 68 -0.084 14.174 4.820 1.00 0.00 N ATOM 1052 CA LYS A 68 0.146 15.051 5.963 1.00 0.00 C ATOM 1053 C LYS A 68 1.039 16.226 5.576 1.00 0.00 C ATOM 1054 O LYS A 68 2.185 16.038 5.168 1.00 0.00 O ATOM 1055 CB LYS A 68 0.784 14.268 7.112 1.00 0.00 C ATOM 1056 CG LYS A 68 -0.002 13.033 7.517 1.00 0.00 C ATOM 1057 CD LYS A 68 -1.040 13.355 8.579 1.00 0.00 C ATOM 1058 CE LYS A 68 -1.762 12.102 9.051 1.00 0.00 C ATOM 1059 NZ LYS A 68 -2.443 12.313 10.358 1.00 0.00 N ATOM 0 H LYS A 68 0.733 13.637 4.530 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.818 15.442 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.791 13.968 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.884 14.924 7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.495 12.611 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.682 12.273 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.556 13.839 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.764 14.064 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.496 11.803 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.048 11.284 9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.923 11.436 10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.739 12.574 11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.143 13.077 10.265 1.00 0.00 H new ATOM 1073 N ARG A 69 0.507 17.436 5.708 1.00 0.00 N ATOM 1074 CA ARG A 69 1.256 18.641 5.373 1.00 0.00 C ATOM 1075 C ARG A 69 2.323 18.929 6.426 1.00 0.00 C ATOM 1076 O ARG A 69 2.174 18.562 7.592 1.00 0.00 O ATOM 1077 CB ARG A 69 0.311 19.837 5.249 1.00 0.00 C ATOM 1078 CG ARG A 69 -0.840 19.607 4.283 1.00 0.00 C ATOM 1079 CD ARG A 69 -0.380 19.695 2.836 1.00 0.00 C ATOM 1080 NE ARG A 69 -1.496 19.594 1.900 1.00 0.00 N ATOM 1081 CZ ARG A 69 -2.334 20.592 1.644 1.00 0.00 C ATOM 1082 NH1 ARG A 69 -2.182 21.761 2.251 1.00 0.00 N ATOM 1083 NH2 ARG A 69 -3.325 20.422 0.779 1.00 0.00 N ATOM 0 H ARG A 69 -0.440 17.608 6.045 1.00 0.00 H new ATOM 0 HA ARG A 69 1.750 18.476 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.094 20.073 6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.881 20.707 4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.280 18.627 4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.621 20.346 4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.141 20.639 2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.336 18.898 2.634 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.640 18.708 1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.420 21.895 2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.827 22.526 2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.444 19.524 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.968 21.189 0.583 1.00 0.00 H new ATOM 1097 N LYS A 70 3.399 19.586 6.006 1.00 0.00 N ATOM 1098 CA LYS A 70 4.490 19.924 6.912 1.00 0.00 C ATOM 1099 C LYS A 70 4.773 18.776 7.876 1.00 0.00 C ATOM 1100 O LYS A 70 4.796 18.966 9.091 1.00 0.00 O ATOM 1101 CB LYS A 70 4.154 21.193 7.698 1.00 0.00 C ATOM 1102 CG LYS A 70 3.977 22.422 6.823 1.00 0.00 C ATOM 1103 CD LYS A 70 2.533 22.587 6.379 1.00 0.00 C ATOM 1104 CE LYS A 70 1.706 23.312 7.429 1.00 0.00 C ATOM 1105 NZ LYS A 70 0.258 23.327 7.082 1.00 0.00 N ATOM 0 H LYS A 70 3.539 19.895 5.044 1.00 0.00 H new ATOM 0 HA LYS A 70 5.384 20.101 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.239 21.027 8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.947 21.383 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.294 23.309 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.621 22.342 5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.501 23.143 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.097 21.607 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.843 22.828 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.066 24.336 7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.271 23.830 7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.124 23.811 6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.092 22.350 7.010 1.00 0.00 H new ATOM 1119 N ASN A 71 4.989 17.586 7.324 1.00 0.00 N ATOM 1120 CA ASN A 71 5.272 16.408 8.136 1.00 0.00 C ATOM 1121 C ASN A 71 6.209 15.454 7.402 1.00 0.00 C ATOM 1122 O ASN A 71 5.849 14.881 6.373 1.00 0.00 O ATOM 1123 CB ASN A 71 3.971 15.687 8.495 1.00 0.00 C ATOM 1124 CG ASN A 71 3.341 16.229 9.764 1.00 0.00 C ATOM 1125 OD1 ASN A 71 2.830 17.349 9.787 1.00 0.00 O ATOM 1126 ND2 ASN A 71 3.374 15.434 10.827 1.00 0.00 N ATOM 0 H ASN A 71 4.973 17.412 6.319 1.00 0.00 H new ATOM 0 HA ASN A 71 5.762 16.737 9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.265 15.786 7.671 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.171 14.622 8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.965 15.744 11.709 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.808 14.513 10.762 1.00 0.00 H new ATOM 1133 N LEU A 72 7.413 15.287 7.939 1.00 0.00 N ATOM 1134 CA LEU A 72 8.403 14.402 7.336 1.00 0.00 C ATOM 1135 C LEU A 72 8.395 13.035 8.013 1.00 0.00 C ATOM 1136 O LEU A 72 8.757 12.028 7.405 1.00 0.00 O ATOM 1137 CB LEU A 72 9.797 15.023 7.431 1.00 0.00 C ATOM 1138 CG LEU A 72 9.878 16.531 7.192 1.00 0.00 C ATOM 1139 CD1 LEU A 72 11.263 17.054 7.541 1.00 0.00 C ATOM 1140 CD2 LEU A 72 9.530 16.861 5.748 1.00 0.00 C ATOM 0 H LEU A 72 7.727 15.753 8.790 1.00 0.00 H new ATOM 0 HA LEU A 72 8.143 14.269 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.201 14.810 8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.444 14.526 6.709 1.00 0.00 H new ATOM 0 HG LEU A 72 9.153 17.022 7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.301 18.129 7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.475 16.851 8.591 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.007 16.557 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.593 17.938 5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.231 16.359 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.517 16.522 5.531 1.00 0.00 H new ATOM 1152 N ASN A 73 7.979 13.008 9.275 1.00 0.00 N ATOM 1153 CA ASN A 73 7.922 11.764 10.034 1.00 0.00 C ATOM 1154 C ASN A 73 6.501 11.483 10.513 1.00 0.00 C ATOM 1155 O ASN A 73 6.267 11.126 11.668 1.00 0.00 O ATOM 1156 CB ASN A 73 8.872 11.830 11.232 1.00 0.00 C ATOM 1157 CG ASN A 73 10.256 12.314 10.846 1.00 0.00 C ATOM 1158 OD1 ASN A 73 10.827 11.868 9.851 1.00 0.00 O ATOM 1159 ND2 ASN A 73 10.804 13.231 11.635 1.00 0.00 N ATOM 0 H ASN A 73 7.677 13.833 9.793 1.00 0.00 H new ATOM 0 HA ASN A 73 8.232 10.952 9.376 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.455 12.496 11.987 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.949 10.842 11.686 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.734 13.593 11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.295 13.573 12.450 1.00 0.00 H new ATOM 1166 N PRO A 74 5.527 11.647 9.605 1.00 0.00 N ATOM 1167 CA PRO A 74 4.113 11.415 9.910 1.00 0.00 C ATOM 1168 C PRO A 74 3.800 9.938 10.123 1.00 0.00 C ATOM 1169 O PRO A 74 4.457 9.066 9.554 1.00 0.00 O ATOM 1170 CB PRO A 74 3.391 11.941 8.667 1.00 0.00 C ATOM 1171 CG PRO A 74 4.393 11.829 7.571 1.00 0.00 C ATOM 1172 CD PRO A 74 5.733 12.070 8.209 1.00 0.00 C ATOM 0 HA PRO A 74 3.810 11.905 10.835 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.499 11.354 8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.068 12.973 8.804 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.354 10.844 7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.197 12.560 6.787 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.519 11.490 7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.026 13.118 8.146 1.00 0.00 H new ATOM 1180 N HIS A 75 2.792 9.663 10.945 1.00 0.00 N ATOM 1181 CA HIS A 75 2.392 8.290 11.232 1.00 0.00 C ATOM 1182 C HIS A 75 1.056 7.965 10.571 1.00 0.00 C ATOM 1183 O HIS A 75 0.028 8.555 10.904 1.00 0.00 O ATOM 1184 CB HIS A 75 2.294 8.070 12.742 1.00 0.00 C ATOM 1185 CG HIS A 75 1.016 8.574 13.339 1.00 0.00 C ATOM 1186 ND1 HIS A 75 0.019 7.739 13.796 1.00 0.00 N ATOM 1187 CD2 HIS A 75 0.577 9.836 13.556 1.00 0.00 C ATOM 1188 CE1 HIS A 75 -0.980 8.466 14.265 1.00 0.00 C ATOM 1189 NE2 HIS A 75 -0.666 9.741 14.132 1.00 0.00 N ATOM 0 H HIS A 75 2.237 10.373 11.424 1.00 0.00 H new ATOM 0 HA HIS A 75 3.152 7.623 10.824 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.388 7.005 12.953 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.133 8.567 13.229 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.106 10.748 13.320 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.898 8.082 14.686 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -1.252 10.528 14.412 1.00 0.00 H new ATOM 1198 N TRP A 76 1.079 7.024 9.635 1.00 0.00 N ATOM 1199 CA TRP A 76 -0.130 6.620 8.926 1.00 0.00 C ATOM 1200 C TRP A 76 -0.856 5.509 9.677 1.00 0.00 C ATOM 1201 O TRP A 76 -2.076 5.545 9.829 1.00 0.00 O ATOM 1202 CB TRP A 76 0.214 6.156 7.511 1.00 0.00 C ATOM 1203 CG TRP A 76 0.729 7.256 6.633 1.00 0.00 C ATOM 1204 CD1 TRP A 76 0.022 8.323 6.157 1.00 0.00 C ATOM 1205 CD2 TRP A 76 2.061 7.395 6.126 1.00 0.00 C ATOM 1206 NE1 TRP A 76 0.834 9.118 5.384 1.00 0.00 N ATOM 1207 CE2 TRP A 76 2.090 8.571 5.350 1.00 0.00 C ATOM 1208 CE3 TRP A 76 3.231 6.643 6.253 1.00 0.00 C ATOM 1209 CZ2 TRP A 76 3.244 9.008 4.705 1.00 0.00 C ATOM 1210 CZ3 TRP A 76 4.376 7.078 5.612 1.00 0.00 C ATOM 1211 CH2 TRP A 76 4.376 8.252 4.847 1.00 0.00 C ATOM 0 H TRP A 76 1.922 6.526 9.349 1.00 0.00 H new ATOM 0 HA TRP A 76 -0.791 7.484 8.866 1.00 0.00 H new ATOM 0 HB2 TRP A 76 0.963 5.366 7.568 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -0.674 5.721 7.053 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.022 8.514 6.358 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.548 9.976 4.912 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.241 5.738 6.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 3.246 9.912 4.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 5.286 6.503 5.702 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.287 8.566 4.360 1.00 0.00 H new ATOM 1222 N ASN A 77 -0.097 4.524 10.145 1.00 0.00 N ATOM 1223 CA ASN A 77 -0.669 3.402 10.881 1.00 0.00 C ATOM 1224 C ASN A 77 -2.052 3.047 10.342 1.00 0.00 C ATOM 1225 O ASN A 77 -2.939 2.651 11.097 1.00 0.00 O ATOM 1226 CB ASN A 77 -0.760 3.735 12.371 1.00 0.00 C ATOM 1227 CG ASN A 77 -0.877 2.494 13.235 1.00 0.00 C ATOM 1228 OD1 ASN A 77 -0.118 1.538 13.074 1.00 0.00 O ATOM 1229 ND2 ASN A 77 -1.833 2.503 14.157 1.00 0.00 N ATOM 0 H ASN A 77 0.915 4.480 10.028 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.014 2.541 10.748 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.123 4.300 12.669 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.623 4.378 12.545 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.961 1.696 14.767 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.439 3.317 14.255 1.00 0.00 H new ATOM 1236 N GLU A 78 -2.226 3.192 9.032 1.00 0.00 N ATOM 1237 CA GLU A 78 -3.501 2.887 8.393 1.00 0.00 C ATOM 1238 C GLU A 78 -3.585 1.408 8.024 1.00 0.00 C ATOM 1239 O GLU A 78 -2.565 0.728 7.901 1.00 0.00 O ATOM 1240 CB GLU A 78 -3.689 3.747 7.142 1.00 0.00 C ATOM 1241 CG GLU A 78 -4.227 5.138 7.435 1.00 0.00 C ATOM 1242 CD GLU A 78 -5.490 5.109 8.275 1.00 0.00 C ATOM 1243 OE1 GLU A 78 -6.576 4.874 7.706 1.00 0.00 O ATOM 1244 OE2 GLU A 78 -5.390 5.321 9.501 1.00 0.00 O ATOM 0 H GLU A 78 -1.501 3.518 8.393 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.297 3.113 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.733 3.838 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.371 3.239 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.463 5.717 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.432 5.650 6.495 1.00 0.00 H new ATOM 1251 N THR A 79 -4.807 0.916 7.850 1.00 0.00 N ATOM 1252 CA THR A 79 -5.026 -0.481 7.497 1.00 0.00 C ATOM 1253 C THR A 79 -5.858 -0.603 6.226 1.00 0.00 C ATOM 1254 O THR A 79 -7.006 -0.159 6.178 1.00 0.00 O ATOM 1255 CB THR A 79 -5.730 -1.244 8.634 1.00 0.00 C ATOM 1256 OG1 THR A 79 -5.047 -1.019 9.872 1.00 0.00 O ATOM 1257 CG2 THR A 79 -5.776 -2.735 8.338 1.00 0.00 C ATOM 0 H THR A 79 -5.661 1.465 7.948 1.00 0.00 H new ATOM 0 HA THR A 79 -4.044 -0.922 7.328 1.00 0.00 H new ATOM 0 HB THR A 79 -6.752 -0.873 8.711 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.502 -1.506 10.590 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.278 -3.253 9.155 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.323 -2.905 7.411 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.760 -3.117 8.236 1.00 0.00 H new ATOM 1265 N PHE A 80 -5.274 -1.209 5.197 1.00 0.00 N ATOM 1266 CA PHE A 80 -5.963 -1.389 3.925 1.00 0.00 C ATOM 1267 C PHE A 80 -6.350 -2.851 3.719 1.00 0.00 C ATOM 1268 O PHE A 80 -5.865 -3.739 4.421 1.00 0.00 O ATOM 1269 CB PHE A 80 -5.077 -0.917 2.770 1.00 0.00 C ATOM 1270 CG PHE A 80 -4.614 0.505 2.912 1.00 0.00 C ATOM 1271 CD1 PHE A 80 -5.421 1.554 2.502 1.00 0.00 C ATOM 1272 CD2 PHE A 80 -3.373 0.792 3.456 1.00 0.00 C ATOM 1273 CE1 PHE A 80 -4.997 2.863 2.631 1.00 0.00 C ATOM 1274 CE2 PHE A 80 -2.943 2.099 3.588 1.00 0.00 C ATOM 1275 CZ PHE A 80 -3.757 3.136 3.176 1.00 0.00 C ATOM 0 H PHE A 80 -4.325 -1.583 5.220 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.873 -0.789 3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.206 -1.569 2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.627 -1.020 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.392 1.346 2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.733 -0.015 3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.634 3.672 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.972 2.309 4.012 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.425 4.158 3.280 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.228 -3.093 2.751 1.00 0.00 N ATOM 1286 CA LEU A 81 -7.682 -4.447 2.451 1.00 0.00 C ATOM 1287 C LEU A 81 -7.990 -4.601 0.966 1.00 0.00 C ATOM 1288 O LEU A 81 -8.865 -3.922 0.428 1.00 0.00 O ATOM 1289 CB LEU A 81 -8.923 -4.784 3.279 1.00 0.00 C ATOM 1290 CG LEU A 81 -8.741 -4.772 4.797 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.090 -4.828 5.497 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -7.861 -5.932 5.239 1.00 0.00 C ATOM 0 H LEU A 81 -7.639 -2.370 2.161 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.881 -5.139 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.710 -4.075 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.275 -5.772 2.983 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.248 -3.841 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.940 -4.819 6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.687 -3.964 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.611 -5.742 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.743 -5.907 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.326 -6.873 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.883 -5.848 4.765 1.00 0.00 H new ATOM 1304 N PHE A 82 -7.267 -5.500 0.307 1.00 0.00 N ATOM 1305 CA PHE A 82 -7.464 -5.745 -1.117 1.00 0.00 C ATOM 1306 C PHE A 82 -8.255 -7.030 -1.343 1.00 0.00 C ATOM 1307 O PHE A 82 -7.713 -8.131 -1.242 1.00 0.00 O ATOM 1308 CB PHE A 82 -6.114 -5.832 -1.833 1.00 0.00 C ATOM 1309 CG PHE A 82 -5.366 -4.530 -1.860 1.00 0.00 C ATOM 1310 CD1 PHE A 82 -5.788 -3.490 -2.673 1.00 0.00 C ATOM 1311 CD2 PHE A 82 -4.241 -4.345 -1.073 1.00 0.00 C ATOM 1312 CE1 PHE A 82 -5.100 -2.291 -2.700 1.00 0.00 C ATOM 1313 CE2 PHE A 82 -3.549 -3.149 -1.095 1.00 0.00 C ATOM 1314 CZ PHE A 82 -3.981 -2.120 -1.910 1.00 0.00 C ATOM 0 H PHE A 82 -6.539 -6.071 0.736 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.033 -4.911 -1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.499 -6.585 -1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.275 -6.171 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.664 -3.617 -3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.900 -5.146 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.438 -1.489 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.673 -3.019 -0.477 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.444 -1.183 -1.929 1.00 0.00 H new ATOM 1324 N GLU A 83 -9.540 -6.881 -1.649 1.00 0.00 N ATOM 1325 CA GLU A 83 -10.406 -8.029 -1.889 1.00 0.00 C ATOM 1326 C GLU A 83 -10.489 -8.347 -3.379 1.00 0.00 C ATOM 1327 O GLU A 83 -10.363 -7.460 -4.222 1.00 0.00 O ATOM 1328 CB GLU A 83 -11.808 -7.763 -1.334 1.00 0.00 C ATOM 1329 CG GLU A 83 -11.871 -7.759 0.184 1.00 0.00 C ATOM 1330 CD GLU A 83 -12.130 -9.137 0.761 1.00 0.00 C ATOM 1331 OE1 GLU A 83 -11.789 -10.134 0.090 1.00 0.00 O ATOM 1332 OE2 GLU A 83 -12.675 -9.219 1.881 1.00 0.00 O ATOM 0 H GLU A 83 -10.004 -5.977 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.976 -8.889 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.161 -6.801 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.491 -8.522 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.932 -7.373 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.658 -7.079 0.509 1.00 0.00 H new ATOM 1339 N GLY A 84 -10.701 -9.621 -3.695 1.00 0.00 N ATOM 1340 CA GLY A 84 -10.796 -10.035 -5.083 1.00 0.00 C ATOM 1341 C GLY A 84 -9.474 -10.534 -5.631 1.00 0.00 C ATOM 1342 O GLY A 84 -9.213 -10.435 -6.830 1.00 0.00 O ATOM 0 H GLY A 84 -10.809 -10.374 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.544 -10.823 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.142 -9.196 -5.686 1.00 0.00 H new ATOM 1346 N PHE A 85 -8.636 -11.072 -4.751 1.00 0.00 N ATOM 1347 CA PHE A 85 -7.332 -11.587 -5.153 1.00 0.00 C ATOM 1348 C PHE A 85 -6.935 -12.789 -4.300 1.00 0.00 C ATOM 1349 O PHE A 85 -6.637 -12.668 -3.112 1.00 0.00 O ATOM 1350 CB PHE A 85 -6.269 -10.492 -5.036 1.00 0.00 C ATOM 1351 CG PHE A 85 -6.120 -9.666 -6.282 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -7.093 -8.746 -6.640 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -5.008 -9.810 -7.095 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -6.958 -7.986 -7.786 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -4.867 -9.052 -8.242 1.00 0.00 C ATOM 1356 CZ PHE A 85 -5.844 -8.138 -8.588 1.00 0.00 C ATOM 0 H PHE A 85 -8.836 -11.163 -3.755 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.401 -11.908 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.524 -9.836 -4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.310 -10.952 -4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.966 -8.622 -6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.242 -10.523 -6.829 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.724 -7.273 -8.055 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.995 -9.174 -8.867 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.737 -7.544 -9.484 1.00 0.00 H new ATOM 1366 N PRO A 86 -6.932 -13.978 -4.920 1.00 0.00 N ATOM 1367 CA PRO A 86 -6.574 -15.225 -4.238 1.00 0.00 C ATOM 1368 C PRO A 86 -5.091 -15.292 -3.892 1.00 0.00 C ATOM 1369 O PRO A 86 -4.248 -14.772 -4.624 1.00 0.00 O ATOM 1370 CB PRO A 86 -6.933 -16.305 -5.263 1.00 0.00 C ATOM 1371 CG PRO A 86 -6.851 -15.618 -6.582 1.00 0.00 C ATOM 1372 CD PRO A 86 -7.276 -14.197 -6.335 1.00 0.00 C ATOM 0 HA PRO A 86 -7.093 -15.332 -3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.241 -17.146 -5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.932 -16.703 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.837 -15.659 -6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.501 -16.098 -7.313 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.750 -13.501 -6.989 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.342 -14.060 -6.515 1.00 0.00 H new ATOM 1380 N TYR A 87 -4.778 -15.935 -2.772 1.00 0.00 N ATOM 1381 CA TYR A 87 -3.395 -16.067 -2.328 1.00 0.00 C ATOM 1382 C TYR A 87 -2.507 -16.580 -3.457 1.00 0.00 C ATOM 1383 O TYR A 87 -1.485 -15.975 -3.780 1.00 0.00 O ATOM 1384 CB TYR A 87 -3.312 -17.013 -1.129 1.00 0.00 C ATOM 1385 CG TYR A 87 -1.897 -17.403 -0.763 1.00 0.00 C ATOM 1386 CD1 TYR A 87 -1.248 -18.437 -1.426 1.00 0.00 C ATOM 1387 CD2 TYR A 87 -1.211 -16.739 0.246 1.00 0.00 C ATOM 1388 CE1 TYR A 87 0.044 -18.797 -1.095 1.00 0.00 C ATOM 1389 CE2 TYR A 87 0.081 -17.092 0.583 1.00 0.00 C ATOM 1390 CZ TYR A 87 0.705 -18.122 -0.090 1.00 0.00 C ATOM 1391 OH TYR A 87 1.991 -18.477 0.243 1.00 0.00 O ATOM 0 H TYR A 87 -5.463 -16.373 -2.156 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.039 -15.081 -2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.783 -16.538 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.884 -17.915 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.762 -18.968 -2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.696 -15.933 0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.534 -19.603 -1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.600 -16.564 1.369 1.00 0.00 H new ATOM 0 HH TYR A 87 2.311 -17.902 0.969 1.00 0.00 H new ATOM 1401 N GLU A 88 -2.906 -17.698 -4.054 1.00 0.00 N ATOM 1402 CA GLU A 88 -2.146 -18.293 -5.147 1.00 0.00 C ATOM 1403 C GLU A 88 -1.737 -17.232 -6.165 1.00 0.00 C ATOM 1404 O GLU A 88 -0.773 -17.410 -6.911 1.00 0.00 O ATOM 1405 CB GLU A 88 -2.969 -19.385 -5.835 1.00 0.00 C ATOM 1406 CG GLU A 88 -4.079 -18.844 -6.720 1.00 0.00 C ATOM 1407 CD GLU A 88 -4.540 -19.850 -7.757 1.00 0.00 C ATOM 1408 OE1 GLU A 88 -5.367 -20.720 -7.412 1.00 0.00 O ATOM 1409 OE2 GLU A 88 -4.075 -19.767 -8.913 1.00 0.00 O ATOM 0 H GLU A 88 -3.751 -18.210 -3.800 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.243 -18.738 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.304 -20.004 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.405 -20.033 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.926 -18.555 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.730 -17.942 -7.224 1.00 0.00 H new ATOM 1416 N LYS A 89 -2.477 -16.129 -6.192 1.00 0.00 N ATOM 1417 CA LYS A 89 -2.193 -15.038 -7.116 1.00 0.00 C ATOM 1418 C LYS A 89 -1.426 -13.919 -6.419 1.00 0.00 C ATOM 1419 O LYS A 89 -0.307 -13.584 -6.807 1.00 0.00 O ATOM 1420 CB LYS A 89 -3.494 -14.489 -7.705 1.00 0.00 C ATOM 1421 CG LYS A 89 -4.061 -15.341 -8.827 1.00 0.00 C ATOM 1422 CD LYS A 89 -5.105 -14.583 -9.630 1.00 0.00 C ATOM 1423 CE LYS A 89 -5.992 -15.529 -10.425 1.00 0.00 C ATOM 1424 NZ LYS A 89 -5.245 -16.193 -11.530 1.00 0.00 N ATOM 0 H LYS A 89 -3.279 -15.967 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.574 -15.431 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.236 -14.408 -6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.316 -13.481 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.254 -15.659 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.507 -16.244 -8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.720 -13.985 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.610 -13.889 -10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.404 -16.287 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.835 -14.975 -10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.884 -16.829 -12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.873 -15.472 -12.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.455 -16.742 -11.134 1.00 0.00 H new ATOM 1438 N VAL A 90 -2.035 -13.346 -5.386 1.00 0.00 N ATOM 1439 CA VAL A 90 -1.408 -12.266 -4.632 1.00 0.00 C ATOM 1440 C VAL A 90 0.088 -12.509 -4.465 1.00 0.00 C ATOM 1441 O VAL A 90 0.876 -11.567 -4.387 1.00 0.00 O ATOM 1442 CB VAL A 90 -2.050 -12.107 -3.241 1.00 0.00 C ATOM 1443 CG1 VAL A 90 -1.395 -13.046 -2.240 1.00 0.00 C ATOM 1444 CG2 VAL A 90 -1.954 -10.663 -2.773 1.00 0.00 C ATOM 0 H VAL A 90 -2.962 -13.611 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.563 -11.350 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.105 -12.372 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.862 -12.919 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.521 -14.077 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.332 -12.816 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.412 -10.568 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.906 -10.368 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.475 -10.016 -3.479 1.00 0.00 H new ATOM 1454 N VAL A 91 0.473 -13.780 -4.411 1.00 0.00 N ATOM 1455 CA VAL A 91 1.875 -14.148 -4.254 1.00 0.00 C ATOM 1456 C VAL A 91 2.674 -13.816 -5.509 1.00 0.00 C ATOM 1457 O VAL A 91 3.781 -13.285 -5.429 1.00 0.00 O ATOM 1458 CB VAL A 91 2.030 -15.648 -3.943 1.00 0.00 C ATOM 1459 CG1 VAL A 91 1.458 -15.971 -2.571 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.360 -16.488 -5.020 1.00 0.00 C ATOM 0 H VAL A 91 -0.166 -14.572 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 91 2.262 -13.569 -3.416 1.00 0.00 H new ATOM 0 HB VAL A 91 3.093 -15.891 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.577 -17.035 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.988 -15.396 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.399 -15.713 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.480 -17.545 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.299 -16.244 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.821 -16.277 -5.985 1.00 0.00 H new ATOM 1470 N GLN A 92 2.103 -14.131 -6.668 1.00 0.00 N ATOM 1471 CA GLN A 92 2.763 -13.865 -7.941 1.00 0.00 C ATOM 1472 C GLN A 92 2.969 -12.368 -8.146 1.00 0.00 C ATOM 1473 O GLN A 92 3.718 -11.949 -9.028 1.00 0.00 O ATOM 1474 CB GLN A 92 1.942 -14.442 -9.095 1.00 0.00 C ATOM 1475 CG GLN A 92 1.688 -15.936 -8.975 1.00 0.00 C ATOM 1476 CD GLN A 92 1.186 -16.548 -10.267 1.00 0.00 C ATOM 1477 OE1 GLN A 92 1.970 -16.882 -11.156 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.129 -16.700 -10.379 1.00 0.00 N ATOM 0 H GLN A 92 1.186 -14.570 -6.751 1.00 0.00 H new ATOM 0 HA GLN A 92 3.740 -14.348 -7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.985 -13.922 -9.144 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.461 -14.244 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.610 -16.434 -8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.958 -16.114 -8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.743 -16.410 -9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.525 -17.107 -11.226 1.00 0.00 H new ATOM 1487 N ARG A 93 2.299 -11.566 -7.324 1.00 0.00 N ATOM 1488 CA ARG A 93 2.407 -10.115 -7.417 1.00 0.00 C ATOM 1489 C ARG A 93 3.540 -9.597 -6.536 1.00 0.00 C ATOM 1490 O ARG A 93 4.211 -10.371 -5.852 1.00 0.00 O ATOM 1491 CB ARG A 93 1.088 -9.457 -7.008 1.00 0.00 C ATOM 1492 CG ARG A 93 -0.105 -9.923 -7.828 1.00 0.00 C ATOM 1493 CD ARG A 93 -0.016 -9.439 -9.267 1.00 0.00 C ATOM 1494 NE ARG A 93 -1.311 -9.484 -9.940 1.00 0.00 N ATOM 1495 CZ ARG A 93 -1.846 -10.597 -10.430 1.00 0.00 C ATOM 1496 NH1 ARG A 93 -1.201 -11.750 -10.320 1.00 0.00 N ATOM 1497 NH2 ARG A 93 -3.029 -10.557 -11.030 1.00 0.00 N ATOM 0 H ARG A 93 1.676 -11.897 -6.587 1.00 0.00 H new ATOM 0 HA ARG A 93 2.628 -9.858 -8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.898 -9.666 -5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.185 -8.376 -7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.156 -11.012 -7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.025 -9.554 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.366 -8.418 -9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.698 -10.055 -9.813 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.833 -8.614 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.292 -11.784 -9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.614 -12.603 -10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.528 -9.671 -11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.439 -11.412 -11.406 1.00 0.00 H new ATOM 1511 N ILE A 94 3.747 -8.285 -6.558 1.00 0.00 N ATOM 1512 CA ILE A 94 4.798 -7.665 -5.761 1.00 0.00 C ATOM 1513 C ILE A 94 4.297 -6.393 -5.084 1.00 0.00 C ATOM 1514 O ILE A 94 3.647 -5.557 -5.713 1.00 0.00 O ATOM 1515 CB ILE A 94 6.030 -7.323 -6.621 1.00 0.00 C ATOM 1516 CG1 ILE A 94 6.810 -8.595 -6.961 1.00 0.00 C ATOM 1517 CG2 ILE A 94 6.922 -6.326 -5.897 1.00 0.00 C ATOM 1518 CD1 ILE A 94 7.575 -8.504 -8.263 1.00 0.00 C ATOM 0 H ILE A 94 3.201 -7.631 -7.119 1.00 0.00 H new ATOM 0 HA ILE A 94 5.086 -8.390 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 94 5.690 -6.867 -7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.509 -8.810 -6.153 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.116 -9.434 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.788 -6.095 -6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.362 -5.412 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.257 -6.756 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 94 8.104 -9.440 -8.440 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.879 -8.320 -9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.294 -7.686 -8.206 1.00 0.00 H new ATOM 1530 N LEU A 95 4.605 -6.253 -3.799 1.00 0.00 N ATOM 1531 CA LEU A 95 4.187 -5.083 -3.036 1.00 0.00 C ATOM 1532 C LEU A 95 5.049 -3.872 -3.381 1.00 0.00 C ATOM 1533 O LEU A 95 6.257 -3.870 -3.147 1.00 0.00 O ATOM 1534 CB LEU A 95 4.271 -5.371 -1.536 1.00 0.00 C ATOM 1535 CG LEU A 95 3.617 -4.339 -0.617 1.00 0.00 C ATOM 1536 CD1 LEU A 95 2.116 -4.286 -0.855 1.00 0.00 C ATOM 1537 CD2 LEU A 95 3.916 -4.657 0.841 1.00 0.00 C ATOM 0 H LEU A 95 5.143 -6.935 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 95 3.154 -4.858 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.811 -6.341 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.322 -5.458 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 95 4.036 -3.359 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.668 -3.546 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.921 -4.009 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.681 -5.265 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.443 -3.912 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.526 -5.645 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.994 -4.642 1.003 1.00 0.00 H new ATOM 1549 N TYR A 96 4.418 -2.843 -3.937 1.00 0.00 N ATOM 1550 CA TYR A 96 5.126 -1.626 -4.315 1.00 0.00 C ATOM 1551 C TYR A 96 4.692 -0.451 -3.445 1.00 0.00 C ATOM 1552 O TYR A 96 3.509 -0.113 -3.382 1.00 0.00 O ATOM 1553 CB TYR A 96 4.878 -1.303 -5.789 1.00 0.00 C ATOM 1554 CG TYR A 96 5.696 -0.138 -6.300 1.00 0.00 C ATOM 1555 CD1 TYR A 96 6.993 -0.323 -6.761 1.00 0.00 C ATOM 1556 CD2 TYR A 96 5.170 1.148 -6.322 1.00 0.00 C ATOM 1557 CE1 TYR A 96 7.743 0.738 -7.228 1.00 0.00 C ATOM 1558 CE2 TYR A 96 5.912 2.215 -6.788 1.00 0.00 C ATOM 1559 CZ TYR A 96 7.199 2.006 -7.240 1.00 0.00 C ATOM 1560 OH TYR A 96 7.942 3.066 -7.705 1.00 0.00 O ATOM 0 H TYR A 96 3.418 -2.828 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 96 6.192 -1.794 -4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.104 -2.185 -6.388 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.820 -1.083 -5.931 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.422 -1.314 -6.754 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.163 1.316 -5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.750 0.576 -7.582 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.487 3.208 -6.799 1.00 0.00 H new ATOM 0 HH TYR A 96 7.412 3.888 -7.647 1.00 0.00 H new ATOM 1570 N LEU A 97 5.657 0.170 -2.776 1.00 0.00 N ATOM 1571 CA LEU A 97 5.376 1.310 -1.909 1.00 0.00 C ATOM 1572 C LEU A 97 6.282 2.489 -2.249 1.00 0.00 C ATOM 1573 O LEU A 97 7.503 2.404 -2.116 1.00 0.00 O ATOM 1574 CB LEU A 97 5.560 0.917 -0.442 1.00 0.00 C ATOM 1575 CG LEU A 97 4.897 -0.391 -0.009 1.00 0.00 C ATOM 1576 CD1 LEU A 97 5.656 -1.016 1.151 1.00 0.00 C ATOM 1577 CD2 LEU A 97 3.443 -0.151 0.371 1.00 0.00 C ATOM 0 H LEU A 97 6.641 -0.096 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 97 4.341 1.612 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.628 0.845 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.170 1.722 0.181 1.00 0.00 H new ATOM 0 HG LEU A 97 4.923 -1.085 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.169 -1.946 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.681 -1.224 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.662 -0.327 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.987 -1.093 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.395 0.560 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.904 0.252 -0.487 1.00 0.00 H new ATOM 1589 N GLN A 98 5.676 3.587 -2.687 1.00 0.00 N ATOM 1590 CA GLN A 98 6.428 4.784 -3.044 1.00 0.00 C ATOM 1591 C GLN A 98 5.989 5.976 -2.200 1.00 0.00 C ATOM 1592 O GLN A 98 4.801 6.289 -2.120 1.00 0.00 O ATOM 1593 CB GLN A 98 6.247 5.101 -4.529 1.00 0.00 C ATOM 1594 CG GLN A 98 7.155 6.214 -5.029 1.00 0.00 C ATOM 1595 CD GLN A 98 7.087 6.392 -6.533 1.00 0.00 C ATOM 1596 OE1 GLN A 98 6.117 5.986 -7.174 1.00 0.00 O ATOM 1597 NE2 GLN A 98 8.119 7.001 -7.105 1.00 0.00 N ATOM 0 H GLN A 98 4.666 3.673 -2.803 1.00 0.00 H new ATOM 0 HA GLN A 98 7.483 4.592 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.438 4.199 -5.110 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.209 5.382 -4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.878 7.150 -4.543 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.183 5.997 -4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.902 7.321 -6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.129 7.149 -8.114 1.00 0.00 H new ATOM 1606 N VAL A 99 6.955 6.638 -1.571 1.00 0.00 N ATOM 1607 CA VAL A 99 6.668 7.796 -0.733 1.00 0.00 C ATOM 1608 C VAL A 99 7.035 9.093 -1.444 1.00 0.00 C ATOM 1609 O VAL A 99 8.201 9.490 -1.473 1.00 0.00 O ATOM 1610 CB VAL A 99 7.428 7.723 0.604 1.00 0.00 C ATOM 1611 CG1 VAL A 99 7.133 8.950 1.454 1.00 0.00 C ATOM 1612 CG2 VAL A 99 7.069 6.448 1.352 1.00 0.00 C ATOM 0 H VAL A 99 7.943 6.392 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 99 5.596 7.785 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 99 8.497 7.705 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.679 8.881 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.445 9.847 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.064 9.003 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.615 6.413 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.998 6.433 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.336 5.583 0.745 1.00 0.00 H new ATOM 1622 N LEU A 100 6.034 9.752 -2.017 1.00 0.00 N ATOM 1623 CA LEU A 100 6.251 11.006 -2.729 1.00 0.00 C ATOM 1624 C LEU A 100 5.678 12.183 -1.945 1.00 0.00 C ATOM 1625 O LEU A 100 4.860 12.002 -1.043 1.00 0.00 O ATOM 1626 CB LEU A 100 5.612 10.945 -4.117 1.00 0.00 C ATOM 1627 CG LEU A 100 5.813 9.642 -4.892 1.00 0.00 C ATOM 1628 CD1 LEU A 100 4.879 8.561 -4.370 1.00 0.00 C ATOM 1629 CD2 LEU A 100 5.593 9.867 -6.381 1.00 0.00 C ATOM 0 H LEU A 100 5.064 9.438 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 100 7.326 11.153 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.541 11.119 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.010 11.765 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 100 6.840 9.308 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.036 7.641 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.085 8.380 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.845 8.886 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.740 8.929 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.577 10.225 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.304 10.608 -6.746 1.00 0.00 H new ATOM 1641 N ASP A 101 6.112 13.388 -2.296 1.00 0.00 N ATOM 1642 CA ASP A 101 5.641 14.596 -1.628 1.00 0.00 C ATOM 1643 C ASP A 101 4.721 15.399 -2.542 1.00 0.00 C ATOM 1644 O ASP A 101 5.176 16.045 -3.486 1.00 0.00 O ATOM 1645 CB ASP A 101 6.826 15.458 -1.191 1.00 0.00 C ATOM 1646 CG ASP A 101 7.916 15.519 -2.243 1.00 0.00 C ATOM 1647 OD1 ASP A 101 7.621 15.941 -3.380 1.00 0.00 O ATOM 1648 OD2 ASP A 101 9.065 15.144 -1.928 1.00 0.00 O ATOM 0 H ASP A 101 6.790 13.555 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 101 5.075 14.296 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 101 6.477 16.468 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.240 15.059 -0.265 1.00 0.00 H new ATOM 1791 N PRO A 110 9.063 12.226 -6.782 1.00 0.00 N ATOM 1792 CA PRO A 110 9.226 10.915 -6.145 1.00 0.00 C ATOM 1793 C PRO A 110 10.530 10.810 -5.361 1.00 0.00 C ATOM 1794 O PRO A 110 11.616 10.828 -5.940 1.00 0.00 O ATOM 1795 CB PRO A 110 9.235 9.945 -7.329 1.00 0.00 C ATOM 1796 CG PRO A 110 9.703 10.760 -8.484 1.00 0.00 C ATOM 1797 CD PRO A 110 9.182 12.151 -8.248 1.00 0.00 C ATOM 0 HA PRO A 110 8.440 10.714 -5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.900 9.102 -7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.242 9.534 -7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.791 10.757 -8.548 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.327 10.357 -9.424 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.865 12.907 -8.635 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.221 12.309 -8.738 1.00 0.00 H new ATOM 1805 N ILE A 111 10.413 10.702 -4.042 1.00 0.00 N ATOM 1806 CA ILE A 111 11.583 10.592 -3.179 1.00 0.00 C ATOM 1807 C ILE A 111 12.224 9.213 -3.293 1.00 0.00 C ATOM 1808 O ILE A 111 13.373 9.084 -3.714 1.00 0.00 O ATOM 1809 CB ILE A 111 11.222 10.858 -1.705 1.00 0.00 C ATOM 1810 CG1 ILE A 111 10.644 12.265 -1.545 1.00 0.00 C ATOM 1811 CG2 ILE A 111 12.446 10.677 -0.820 1.00 0.00 C ATOM 1812 CD1 ILE A 111 9.961 12.489 -0.214 1.00 0.00 C ATOM 0 H ILE A 111 9.521 10.688 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 111 12.293 11.348 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 111 10.465 10.138 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 111 11.446 12.994 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.929 12.449 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 111 12.176 10.868 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.817 9.657 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.224 11.376 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.575 13.507 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 111 9.137 11.784 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 111 10.678 12.337 0.593 1.00 0.00 H new ATOM 1824 N GLY A 112 11.471 8.184 -2.917 1.00 0.00 N ATOM 1825 CA GLY A 112 11.982 6.827 -2.986 1.00 0.00 C ATOM 1826 C GLY A 112 10.874 5.794 -3.057 1.00 0.00 C ATOM 1827 O GLY A 112 9.715 6.099 -2.782 1.00 0.00 O ATOM 0 H GLY A 112 10.517 8.265 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.624 6.728 -3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.602 6.631 -2.112 1.00 0.00 H new ATOM 1831 N GLU A 113 11.233 4.569 -3.429 1.00 0.00 N ATOM 1832 CA GLU A 113 10.260 3.489 -3.537 1.00 0.00 C ATOM 1833 C GLU A 113 10.859 2.167 -3.065 1.00 0.00 C ATOM 1834 O GLU A 113 12.076 2.035 -2.936 1.00 0.00 O ATOM 1835 CB GLU A 113 9.773 3.353 -4.982 1.00 0.00 C ATOM 1836 CG GLU A 113 10.883 3.035 -5.970 1.00 0.00 C ATOM 1837 CD GLU A 113 11.177 1.551 -6.059 1.00 0.00 C ATOM 1838 OE1 GLU A 113 10.268 0.747 -5.762 1.00 0.00 O ATOM 1839 OE2 GLU A 113 12.316 1.192 -6.424 1.00 0.00 O ATOM 0 H GLU A 113 12.189 4.300 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 113 9.413 3.734 -2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 113 9.019 2.567 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.286 4.281 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.604 3.406 -6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.789 3.564 -5.675 1.00 0.00 H new ATOM 1846 N VAL A 114 9.994 1.191 -2.806 1.00 0.00 N ATOM 1847 CA VAL A 114 10.436 -0.121 -2.349 1.00 0.00 C ATOM 1848 C VAL A 114 9.666 -1.235 -3.047 1.00 0.00 C ATOM 1849 O VAL A 114 8.460 -1.124 -3.272 1.00 0.00 O ATOM 1850 CB VAL A 114 10.266 -0.270 -0.825 1.00 0.00 C ATOM 1851 CG1 VAL A 114 11.165 -1.376 -0.293 1.00 0.00 C ATOM 1852 CG2 VAL A 114 10.557 1.048 -0.125 1.00 0.00 C ATOM 0 H VAL A 114 8.983 1.285 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 114 11.494 -0.204 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 114 9.232 -0.544 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.031 -1.467 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.903 -2.320 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.206 -1.135 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.432 0.924 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.581 1.355 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.867 1.811 -0.485 1.00 0.00 H new ATOM 1862 N SER A 115 10.369 -2.310 -3.388 1.00 0.00 N ATOM 1863 CA SER A 115 9.752 -3.445 -4.065 1.00 0.00 C ATOM 1864 C SER A 115 9.995 -4.737 -3.291 1.00 0.00 C ATOM 1865 O SER A 115 11.134 -5.069 -2.959 1.00 0.00 O ATOM 1866 CB SER A 115 10.301 -3.578 -5.487 1.00 0.00 C ATOM 1867 OG SER A 115 11.591 -4.164 -5.483 1.00 0.00 O ATOM 0 H SER A 115 11.367 -2.419 -3.207 1.00 0.00 H new ATOM 0 HA SER A 115 8.678 -3.267 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 115 9.624 -4.186 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.346 -2.595 -5.956 1.00 0.00 H new ATOM 0 HG SER A 115 11.796 -4.498 -4.585 1.00 0.00 H new ATOM 1873 N ILE A 116 8.918 -5.461 -3.007 1.00 0.00 N ATOM 1874 CA ILE A 116 9.013 -6.716 -2.273 1.00 0.00 C ATOM 1875 C ILE A 116 7.921 -7.689 -2.703 1.00 0.00 C ATOM 1876 O ILE A 116 6.727 -7.397 -2.620 1.00 0.00 O ATOM 1877 CB ILE A 116 8.914 -6.489 -0.753 1.00 0.00 C ATOM 1878 CG1 ILE A 116 9.975 -5.486 -0.294 1.00 0.00 C ATOM 1879 CG2 ILE A 116 9.067 -7.807 -0.009 1.00 0.00 C ATOM 1880 CD1 ILE A 116 9.886 -5.143 1.176 1.00 0.00 C ATOM 0 H ILE A 116 7.969 -5.200 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 116 9.989 -7.143 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 116 7.930 -6.078 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.964 -5.894 -0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.876 -4.572 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 116 8.995 -7.630 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.278 -8.493 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 116 10.038 -8.244 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 116 10.668 -4.428 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.911 -4.706 1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.015 -6.048 1.769 1.00 0.00 H new ATOM 1892 N PRO A 117 8.335 -8.875 -3.172 1.00 0.00 N ATOM 1893 CA PRO A 117 7.408 -9.917 -3.622 1.00 0.00 C ATOM 1894 C PRO A 117 6.627 -10.536 -2.468 1.00 0.00 C ATOM 1895 O PRO A 117 7.213 -11.049 -1.513 1.00 0.00 O ATOM 1896 CB PRO A 117 8.327 -10.957 -4.265 1.00 0.00 C ATOM 1897 CG PRO A 117 9.646 -10.761 -3.600 1.00 0.00 C ATOM 1898 CD PRO A 117 9.743 -9.291 -3.299 1.00 0.00 C ATOM 0 HA PRO A 117 6.650 -9.523 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 117 7.951 -11.968 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.401 -10.808 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.714 -11.352 -2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.461 -11.081 -4.248 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.301 -9.105 -2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.251 -8.750 -4.097 1.00 0.00 H new ATOM 1906 N LEU A 118 5.303 -10.486 -2.562 1.00 0.00 N ATOM 1907 CA LEU A 118 4.441 -11.044 -1.525 1.00 0.00 C ATOM 1908 C LEU A 118 4.644 -12.550 -1.400 1.00 0.00 C ATOM 1909 O LEU A 118 4.156 -13.176 -0.460 1.00 0.00 O ATOM 1910 CB LEU A 118 2.975 -10.739 -1.834 1.00 0.00 C ATOM 1911 CG LEU A 118 2.513 -9.308 -1.552 1.00 0.00 C ATOM 1912 CD1 LEU A 118 1.139 -9.062 -2.157 1.00 0.00 C ATOM 1913 CD2 LEU A 118 2.494 -9.039 -0.055 1.00 0.00 C ATOM 0 H LEU A 118 4.803 -10.065 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 118 4.710 -10.580 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.793 -10.957 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.353 -11.421 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 118 3.220 -8.620 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.827 -8.039 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.184 -9.213 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.421 -9.757 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.163 -8.017 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.809 -9.734 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.496 -9.174 0.352 1.00 0.00 H new ATOM 1925 N ASN A 119 5.369 -13.126 -2.354 1.00 0.00 N ATOM 1926 CA ASN A 119 5.637 -14.559 -2.350 1.00 0.00 C ATOM 1927 C ASN A 119 6.789 -14.894 -1.408 1.00 0.00 C ATOM 1928 O ASN A 119 6.880 -16.008 -0.890 1.00 0.00 O ATOM 1929 CB ASN A 119 5.964 -15.042 -3.765 1.00 0.00 C ATOM 1930 CG ASN A 119 6.299 -16.520 -3.808 1.00 0.00 C ATOM 1931 OD1 ASN A 119 5.781 -17.309 -3.018 1.00 0.00 O ATOM 1932 ND2 ASN A 119 7.171 -16.902 -4.735 1.00 0.00 N ATOM 0 H ASN A 119 5.781 -12.622 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 119 4.741 -15.070 -1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.114 -14.846 -4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.805 -14.470 -4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 119 7.436 -17.884 -4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 119 7.576 -16.213 -5.369 1.00 0.00 H new ATOM 1939 N LYS A 120 7.669 -13.922 -1.188 1.00 0.00 N ATOM 1940 CA LYS A 120 8.815 -14.111 -0.307 1.00 0.00 C ATOM 1941 C LYS A 120 8.422 -13.894 1.151 1.00 0.00 C ATOM 1942 O LYS A 120 8.834 -14.646 2.034 1.00 0.00 O ATOM 1943 CB LYS A 120 9.943 -13.152 -0.691 1.00 0.00 C ATOM 1944 CG LYS A 120 10.668 -13.544 -1.967 1.00 0.00 C ATOM 1945 CD LYS A 120 11.712 -14.617 -1.708 1.00 0.00 C ATOM 1946 CE LYS A 120 12.495 -14.948 -2.969 1.00 0.00 C ATOM 1947 NZ LYS A 120 13.736 -15.713 -2.667 1.00 0.00 N ATOM 0 H LYS A 120 7.610 -12.995 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 120 9.165 -15.137 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.531 -12.150 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.663 -13.106 0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.947 -13.906 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.147 -12.665 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.398 -14.279 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.225 -15.517 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.866 -15.528 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.755 -14.025 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.241 -15.919 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.348 -15.150 -2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.487 -16.606 -2.195 1.00 0.00 H new ATOM 1961 N VAL A 121 7.621 -12.862 1.395 1.00 0.00 N ATOM 1962 CA VAL A 121 7.170 -12.547 2.746 1.00 0.00 C ATOM 1963 C VAL A 121 6.199 -13.603 3.261 1.00 0.00 C ATOM 1964 O VAL A 121 5.252 -13.981 2.570 1.00 0.00 O ATOM 1965 CB VAL A 121 6.488 -11.167 2.802 1.00 0.00 C ATOM 1966 CG1 VAL A 121 5.392 -11.069 1.753 1.00 0.00 C ATOM 1967 CG2 VAL A 121 5.930 -10.906 4.193 1.00 0.00 C ATOM 0 H VAL A 121 7.271 -12.230 0.675 1.00 0.00 H new ATOM 0 HA VAL A 121 8.056 -12.532 3.381 1.00 0.00 H new ATOM 0 HB VAL A 121 7.235 -10.403 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.922 -10.087 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.823 -11.210 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.644 -11.840 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.452 -9.927 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.197 -11.674 4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.741 -10.930 4.921 1.00 0.00 H new ATOM 1977 N ASP A 122 6.439 -14.076 4.479 1.00 0.00 N ATOM 1978 CA ASP A 122 5.584 -15.089 5.088 1.00 0.00 C ATOM 1979 C ASP A 122 4.165 -14.561 5.274 1.00 0.00 C ATOM 1980 O ASP A 122 3.771 -14.183 6.378 1.00 0.00 O ATOM 1981 CB ASP A 122 6.159 -15.528 6.436 1.00 0.00 C ATOM 1982 CG ASP A 122 7.481 -16.255 6.292 1.00 0.00 C ATOM 1983 OD1 ASP A 122 7.507 -17.312 5.628 1.00 0.00 O ATOM 1984 OD2 ASP A 122 8.490 -15.768 6.844 1.00 0.00 O ATOM 0 H ASP A 122 7.218 -13.774 5.064 1.00 0.00 H new ATOM 0 HA ASP A 122 5.548 -15.949 4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.296 -14.653 7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.443 -16.178 6.939 1.00 0.00 H new ATOM 1989 N LEU A 123 3.401 -14.538 4.187 1.00 0.00 N ATOM 1990 CA LEU A 123 2.025 -14.056 4.230 1.00 0.00 C ATOM 1991 C LEU A 123 1.193 -14.870 5.216 1.00 0.00 C ATOM 1992 O LEU A 123 0.089 -14.473 5.590 1.00 0.00 O ATOM 1993 CB LEU A 123 1.397 -14.125 2.837 1.00 0.00 C ATOM 1994 CG LEU A 123 1.716 -12.961 1.898 1.00 0.00 C ATOM 1995 CD1 LEU A 123 1.018 -13.147 0.560 1.00 0.00 C ATOM 1996 CD2 LEU A 123 1.313 -11.638 2.533 1.00 0.00 C ATOM 0 H LEU A 123 3.711 -14.847 3.266 1.00 0.00 H new ATOM 0 HA LEU A 123 2.039 -13.019 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.721 -15.050 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.315 -14.187 2.951 1.00 0.00 H new ATOM 0 HG LEU A 123 2.792 -12.945 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.257 -12.309 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.356 -14.075 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.060 -13.190 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.547 -10.821 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.242 -11.644 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 123 1.860 -11.500 3.466 1.00 0.00 H new ATOM 2008 N THR A 124 1.731 -16.011 5.636 1.00 0.00 N ATOM 2009 CA THR A 124 1.039 -16.880 6.579 1.00 0.00 C ATOM 2010 C THR A 124 0.706 -16.138 7.868 1.00 0.00 C ATOM 2011 O THR A 124 -0.184 -16.543 8.615 1.00 0.00 O ATOM 2012 CB THR A 124 1.882 -18.124 6.919 1.00 0.00 C ATOM 2013 OG1 THR A 124 3.037 -17.741 7.675 1.00 0.00 O ATOM 2014 CG2 THR A 124 2.316 -18.846 5.652 1.00 0.00 C ATOM 0 H THR A 124 2.644 -16.354 5.338 1.00 0.00 H new ATOM 0 HA THR A 124 0.114 -17.197 6.097 1.00 0.00 H new ATOM 0 HB THR A 124 1.268 -18.801 7.512 1.00 0.00 H new ATOM 0 HG1 THR A 124 3.567 -18.537 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.910 -19.721 5.917 1.00 0.00 H new ATOM 0 HG22 THR A 124 1.435 -19.161 5.093 1.00 0.00 H new ATOM 0 HG23 THR A 124 2.915 -18.174 5.037 1.00 0.00 H new ATOM 2022 N GLN A 125 1.426 -15.050 8.122 1.00 0.00 N ATOM 2023 CA GLN A 125 1.206 -14.252 9.322 1.00 0.00 C ATOM 2024 C GLN A 125 1.766 -12.844 9.150 1.00 0.00 C ATOM 2025 O GLN A 125 2.585 -12.596 8.266 1.00 0.00 O ATOM 2026 CB GLN A 125 1.851 -14.926 10.534 1.00 0.00 C ATOM 2027 CG GLN A 125 3.333 -15.211 10.354 1.00 0.00 C ATOM 2028 CD GLN A 125 3.827 -16.322 11.259 1.00 0.00 C ATOM 2029 OE1 GLN A 125 3.089 -16.821 12.109 1.00 0.00 O ATOM 2030 NE2 GLN A 125 5.083 -16.717 11.081 1.00 0.00 N ATOM 0 H GLN A 125 2.166 -14.701 7.513 1.00 0.00 H new ATOM 0 HA GLN A 125 0.131 -14.178 9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 125 1.715 -14.289 11.408 1.00 0.00 H new ATOM 0 HB3 GLN A 125 1.332 -15.862 10.738 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.524 -15.482 9.315 1.00 0.00 H new ATOM 0 HG3 GLN A 125 3.901 -14.303 10.556 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.660 -16.276 10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.471 -17.461 11.661 1.00 0.00 H new ATOM 2039 N MET A 126 1.319 -11.926 10.001 1.00 0.00 N ATOM 2040 CA MET A 126 1.777 -10.543 9.942 1.00 0.00 C ATOM 2041 C MET A 126 3.282 -10.458 10.181 1.00 0.00 C ATOM 2042 O MET A 126 3.798 -11.020 11.147 1.00 0.00 O ATOM 2043 CB MET A 126 1.037 -9.694 10.977 1.00 0.00 C ATOM 2044 CG MET A 126 1.295 -8.202 10.837 1.00 0.00 C ATOM 2045 SD MET A 126 -0.076 -7.200 11.440 1.00 0.00 S ATOM 2046 CE MET A 126 -0.806 -6.660 9.896 1.00 0.00 C ATOM 0 H MET A 126 0.641 -12.115 10.739 1.00 0.00 H new ATOM 0 HA MET A 126 1.562 -10.158 8.945 1.00 0.00 H new ATOM 0 HB2 MET A 126 -0.033 -9.879 10.888 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.334 -10.013 11.976 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.200 -7.941 11.386 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.479 -7.966 9.789 1.00 0.00 H new ATOM 0 HE1 MET A 126 -0.933 -5.578 9.912 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.153 -6.936 9.068 1.00 0.00 H new ATOM 0 HE3 MET A 126 -1.777 -7.137 9.766 1.00 0.00 H new ATOM 2056 N GLN A 127 3.978 -9.754 9.295 1.00 0.00 N ATOM 2057 CA GLN A 127 5.423 -9.598 9.410 1.00 0.00 C ATOM 2058 C GLN A 127 5.851 -8.186 9.021 1.00 0.00 C ATOM 2059 O GLN A 127 5.484 -7.685 7.958 1.00 0.00 O ATOM 2060 CB GLN A 127 6.140 -10.622 8.528 1.00 0.00 C ATOM 2061 CG GLN A 127 5.693 -12.054 8.772 1.00 0.00 C ATOM 2062 CD GLN A 127 6.481 -12.731 9.876 1.00 0.00 C ATOM 2063 OE1 GLN A 127 7.223 -12.080 10.614 1.00 0.00 O ATOM 2064 NE2 GLN A 127 6.325 -14.044 9.996 1.00 0.00 N ATOM 0 H GLN A 127 3.565 -9.283 8.490 1.00 0.00 H new ATOM 0 HA GLN A 127 5.700 -9.768 10.450 1.00 0.00 H new ATOM 0 HB2 GLN A 127 5.969 -10.370 7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 127 7.214 -10.551 8.702 1.00 0.00 H new ATOM 0 HG2 GLN A 127 4.634 -12.061 9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.801 -12.626 7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.700 -14.543 9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 127 6.830 -14.553 10.721 1.00 0.00 H new ATOM 2073 N THR A 128 6.630 -7.549 9.890 1.00 0.00 N ATOM 2074 CA THR A 128 7.106 -6.195 9.638 1.00 0.00 C ATOM 2075 C THR A 128 8.370 -6.206 8.786 1.00 0.00 C ATOM 2076 O THR A 128 9.013 -7.243 8.625 1.00 0.00 O ATOM 2077 CB THR A 128 7.395 -5.447 10.954 1.00 0.00 C ATOM 2078 OG1 THR A 128 6.472 -5.864 11.967 1.00 0.00 O ATOM 2079 CG2 THR A 128 7.293 -3.943 10.756 1.00 0.00 C ATOM 0 H THR A 128 6.944 -7.949 10.774 1.00 0.00 H new ATOM 0 HA THR A 128 6.313 -5.676 9.100 1.00 0.00 H new ATOM 0 HB THR A 128 8.411 -5.687 11.267 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.663 -5.386 12.801 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.501 -3.437 11.699 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.017 -3.625 10.006 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.288 -3.687 10.421 1.00 0.00 H new ATOM 2087 N PHE A 129 8.720 -5.045 8.240 1.00 0.00 N ATOM 2088 CA PHE A 129 9.907 -4.922 7.403 1.00 0.00 C ATOM 2089 C PHE A 129 10.446 -3.495 7.430 1.00 0.00 C ATOM 2090 O PHE A 129 9.680 -2.532 7.470 1.00 0.00 O ATOM 2091 CB PHE A 129 9.587 -5.331 5.964 1.00 0.00 C ATOM 2092 CG PHE A 129 9.428 -6.813 5.783 1.00 0.00 C ATOM 2093 CD1 PHE A 129 10.522 -7.610 5.488 1.00 0.00 C ATOM 2094 CD2 PHE A 129 8.184 -7.410 5.908 1.00 0.00 C ATOM 2095 CE1 PHE A 129 10.378 -8.974 5.321 1.00 0.00 C ATOM 2096 CE2 PHE A 129 8.033 -8.774 5.742 1.00 0.00 C ATOM 2097 CZ PHE A 129 9.132 -9.557 5.449 1.00 0.00 C ATOM 0 H PHE A 129 8.198 -4.177 8.363 1.00 0.00 H new ATOM 0 HA PHE A 129 10.672 -5.588 7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.669 -4.834 5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 129 10.382 -4.976 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 129 11.499 -7.160 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 129 7.321 -6.802 6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 129 11.239 -9.584 5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 129 7.057 -9.226 5.841 1.00 0.00 H new ATOM 0 HZ PHE A 129 9.018 -10.623 5.320 1.00 0.00 H new ATOM 2107 N TRP A 130 11.768 -3.367 7.410 1.00 0.00 N ATOM 2108 CA TRP A 130 12.410 -2.058 7.433 1.00 0.00 C ATOM 2109 C TRP A 130 13.342 -1.888 6.239 1.00 0.00 C ATOM 2110 O TRP A 130 14.451 -2.423 6.222 1.00 0.00 O ATOM 2111 CB TRP A 130 13.191 -1.873 8.736 1.00 0.00 C ATOM 2112 CG TRP A 130 12.337 -1.418 9.880 1.00 0.00 C ATOM 2113 CD1 TRP A 130 11.853 -2.190 10.898 1.00 0.00 C ATOM 2114 CD2 TRP A 130 11.865 -0.089 10.122 1.00 0.00 C ATOM 2115 NE1 TRP A 130 11.108 -1.419 11.759 1.00 0.00 N ATOM 2116 CE2 TRP A 130 11.101 -0.126 11.305 1.00 0.00 C ATOM 2117 CE3 TRP A 130 12.015 1.131 9.456 1.00 0.00 C ATOM 2118 CZ2 TRP A 130 10.489 1.008 11.833 1.00 0.00 C ATOM 2119 CZ3 TRP A 130 11.407 2.255 9.981 1.00 0.00 C ATOM 2120 CH2 TRP A 130 10.653 2.188 11.160 1.00 0.00 C ATOM 0 H TRP A 130 12.416 -4.154 7.378 1.00 0.00 H new ATOM 0 HA TRP A 130 11.631 -1.298 7.373 1.00 0.00 H new ATOM 0 HB2 TRP A 130 13.670 -2.816 9.001 1.00 0.00 H new ATOM 0 HB3 TRP A 130 13.987 -1.146 8.574 1.00 0.00 H new ATOM 0 HD1 TRP A 130 12.030 -3.250 11.010 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.637 -1.755 12.599 1.00 0.00 H new ATOM 0 HE3 TRP A 130 12.596 1.194 8.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.906 0.958 12.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 11.515 3.202 9.474 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.192 3.086 11.545 1.00 0.00 H new ATOM 2131 N LYS A 131 12.887 -1.139 5.240 1.00 0.00 N ATOM 2132 CA LYS A 131 13.680 -0.896 4.041 1.00 0.00 C ATOM 2133 C LYS A 131 13.927 0.596 3.845 1.00 0.00 C ATOM 2134 O LYS A 131 13.109 1.427 4.240 1.00 0.00 O ATOM 2135 CB LYS A 131 12.975 -1.473 2.812 1.00 0.00 C ATOM 2136 CG LYS A 131 12.510 -2.907 2.995 1.00 0.00 C ATOM 2137 CD LYS A 131 13.629 -3.897 2.717 1.00 0.00 C ATOM 2138 CE LYS A 131 13.084 -5.288 2.429 1.00 0.00 C ATOM 2139 NZ LYS A 131 14.069 -6.350 2.773 1.00 0.00 N ATOM 0 H LYS A 131 11.972 -0.689 5.237 1.00 0.00 H new ATOM 0 HA LYS A 131 14.642 -1.392 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.115 -0.849 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.652 -1.426 1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.146 -3.045 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.672 -3.107 2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.218 -3.553 1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.301 -3.939 3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.168 -5.444 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 131 12.821 -5.364 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.661 -7.283 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 14.934 -6.216 2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.301 -6.294 3.785 1.00 0.00 H new ATOM 2153 N ASP A 132 15.058 0.929 3.232 1.00 0.00 N ATOM 2154 CA ASP A 132 15.411 2.321 2.981 1.00 0.00 C ATOM 2155 C ASP A 132 14.911 2.770 1.612 1.00 0.00 C ATOM 2156 O ASP A 132 15.459 2.380 0.580 1.00 0.00 O ATOM 2157 CB ASP A 132 16.926 2.510 3.072 1.00 0.00 C ATOM 2158 CG ASP A 132 17.688 1.459 2.288 1.00 0.00 C ATOM 2159 OD1 ASP A 132 17.546 0.261 2.609 1.00 0.00 O ATOM 2160 OD2 ASP A 132 18.427 1.836 1.354 1.00 0.00 O ATOM 0 H ASP A 132 15.746 0.253 2.900 1.00 0.00 H new ATOM 0 HA ASP A 132 14.930 2.935 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.189 3.500 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.232 2.472 4.117 1.00 0.00 H new ATOM 2165 N LEU A 133 13.866 3.591 1.609 1.00 0.00 N ATOM 2166 CA LEU A 133 13.291 4.092 0.366 1.00 0.00 C ATOM 2167 C LEU A 133 14.373 4.311 -0.686 1.00 0.00 C ATOM 2168 O LEU A 133 15.068 5.328 -0.676 1.00 0.00 O ATOM 2169 CB LEU A 133 12.539 5.400 0.620 1.00 0.00 C ATOM 2170 CG LEU A 133 11.320 5.306 1.538 1.00 0.00 C ATOM 2171 CD1 LEU A 133 11.006 6.662 2.149 1.00 0.00 C ATOM 2172 CD2 LEU A 133 10.117 4.771 0.775 1.00 0.00 C ATOM 0 H LEU A 133 13.400 3.923 2.453 1.00 0.00 H new ATOM 0 HA LEU A 133 12.592 3.344 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.237 6.120 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.216 5.802 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 133 11.551 4.611 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.135 6.575 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.861 7.006 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.796 7.379 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.259 4.711 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 133 9.885 5.440 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.344 3.778 0.387 1.00 0.00 H new ATOM 2184 N LYS A 134 14.511 3.352 -1.595 1.00 0.00 N ATOM 2185 CA LYS A 134 15.506 3.440 -2.657 1.00 0.00 C ATOM 2186 C LYS A 134 15.318 4.714 -3.474 1.00 0.00 C ATOM 2187 O LYS A 134 14.232 5.290 -3.530 1.00 0.00 O ATOM 2188 CB LYS A 134 15.415 2.216 -3.572 1.00 0.00 C ATOM 2189 CG LYS A 134 15.971 0.948 -2.948 1.00 0.00 C ATOM 2190 CD LYS A 134 17.485 0.887 -3.065 1.00 0.00 C ATOM 2191 CE LYS A 134 17.919 0.386 -4.433 1.00 0.00 C ATOM 2192 NZ LYS A 134 19.379 0.577 -4.657 1.00 0.00 N ATOM 0 H LYS A 134 13.945 2.504 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 134 16.493 3.468 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.372 2.051 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 134 15.954 2.423 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 134 15.684 0.902 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.532 0.078 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 134 17.905 1.878 -2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 134 17.884 0.230 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 134 17.673 -0.672 -4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 134 17.361 0.913 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 19.635 0.223 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 19.611 1.589 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 19.913 0.053 -3.934 1.00 0.00 H new ATOM 2206 N PRO A 135 16.401 5.166 -4.125 1.00 0.00 N ATOM 2207 CA PRO A 135 16.380 6.375 -4.953 1.00 0.00 C ATOM 2208 C PRO A 135 15.568 6.189 -6.230 1.00 0.00 C ATOM 2209 O PRO A 135 16.077 5.687 -7.232 1.00 0.00 O ATOM 2210 CB PRO A 135 17.856 6.603 -5.285 1.00 0.00 C ATOM 2211 CG PRO A 135 18.480 5.254 -5.186 1.00 0.00 C ATOM 2212 CD PRO A 135 17.729 4.530 -4.103 1.00 0.00 C ATOM 0 HA PRO A 135 15.911 7.214 -4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 135 17.977 7.023 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 135 18.315 7.304 -4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.409 4.721 -6.134 1.00 0.00 H new ATOM 0 HG3 PRO A 135 19.540 5.331 -4.942 1.00 0.00 H new ATOM 0 HD2 PRO A 135 17.666 3.461 -4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 135 18.213 4.644 -3.133 1.00 0.00 H new ATOM 2220 N SER A 136 14.304 6.597 -6.187 1.00 0.00 N ATOM 2221 CA SER A 136 13.421 6.472 -7.341 1.00 0.00 C ATOM 2222 C SER A 136 13.855 7.412 -8.462 1.00 0.00 C ATOM 2223 O SER A 136 13.267 7.422 -9.542 1.00 0.00 O ATOM 2224 CB SER A 136 11.976 6.773 -6.939 1.00 0.00 C ATOM 2225 OG SER A 136 11.434 5.721 -6.159 1.00 0.00 O ATOM 0 H SER A 136 13.868 7.017 -5.366 1.00 0.00 H new ATOM 0 HA SER A 136 13.483 5.447 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 136 11.939 7.705 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.369 6.917 -7.833 1.00 0.00 H new ATOM 0 HG SER A 136 10.510 5.938 -5.913 1.00 0.00 H new