USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 636 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 111 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 86 GLN : amide:sc= -5.3! C(o=-4.5!,f=-12!) USER MOD Set 2.2: A 90 THR OG1 : rot 106:sc= 0.8 USER MOD Set 3.1: A 84 MET CE :methyl 166:sc= -2.53 (180deg=-3.42) USER MOD Set 3.2: A 88 ASN : amide:sc= -13.2! C(o=-16!,f=-18!) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.43 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 139:sc= -6.32! (180deg=-9.61!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 0.937 (180deg=0.394) USER MOD Single : A 44 ASN : amide:sc= -0.766 K(o=-0.77,f=-2.1!) USER MOD Single : A 49 LYS NZ :NH3+ -123:sc= -0.33 (180deg=-0.682) USER MOD Single : A 53 THR OG1 : rot 93:sc= 0.971 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 111:sc= -0.319 USER MOD Single : A 73 ASN : amide:sc= 0.223 K(o=0.22,f=-1) USER MOD Single : A 74 GLN : amide:sc= -7.98! C(o=-8!,f=-13!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.422 X(o=0.42,f=0) USER MOD Single : A 82 SER OG : rot -157:sc= 0.329 USER MOD Single : A 83 LYS NZ :NH3+ 159:sc= -0.0291 (180deg=-0.308) USER MOD Single : A 85 MET CE :methyl -115:sc= -3.47! (180deg=-6.46!) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.09) USER MOD Single : A 102 MET CE :methyl -164:sc= -3.95! (180deg=-5.69!) USER MOD Single : A 113 GLN : amide:sc= -0.759 K(o=-0.76,f=-0.079) USER MOD Single : A 115 ASN : amide:sc= -3.75! K(o=-3.8!,f=-3) USER MOD ----------------------------------------------------------------- ATOM 135 N CYS A 33 -11.996 1.723 4.919 1.00 0.00 N ATOM 136 CA CYS A 33 -11.084 2.852 4.978 1.00 0.00 C ATOM 137 C CYS A 33 -10.485 3.058 3.585 1.00 0.00 C ATOM 138 O CYS A 33 -9.987 4.140 3.274 1.00 0.00 O ATOM 139 CB CYS A 33 -10.001 2.649 6.040 1.00 0.00 C ATOM 140 SG CYS A 33 -9.073 1.109 5.703 1.00 0.00 S ATOM 0 HA CYS A 33 -11.629 3.748 5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.320 3.500 6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.455 2.600 7.030 1.00 0.00 H new ATOM 0 HG CYS A 33 -8.155 0.948 6.610 1.00 0.00 H new ATOM 145 N LEU A 34 -10.554 2.006 2.784 1.00 0.00 N ATOM 146 CA LEU A 34 -10.026 2.059 1.431 1.00 0.00 C ATOM 147 C LEU A 34 -10.844 3.054 0.607 1.00 0.00 C ATOM 148 O LEU A 34 -10.457 3.412 -0.504 1.00 0.00 O ATOM 149 CB LEU A 34 -9.968 0.657 0.823 1.00 0.00 C ATOM 150 CG LEU A 34 -9.347 -0.431 1.702 1.00 0.00 C ATOM 151 CD1 LEU A 34 -8.914 -1.634 0.861 1.00 0.00 C ATOM 152 CD2 LEU A 34 -8.194 0.131 2.536 1.00 0.00 C ATOM 0 H LEU A 34 -10.968 1.111 3.046 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.998 2.421 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.982 0.352 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.404 0.710 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.107 -0.783 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.476 -2.393 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.781 -2.051 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.176 -1.316 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.770 -0.662 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.424 0.526 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.565 0.930 3.178 1.00 0.00 H new ATOM 163 N GLU A 35 -11.962 3.473 1.182 1.00 0.00 N ATOM 164 CA GLU A 35 -12.839 4.419 0.515 1.00 0.00 C ATOM 165 C GLU A 35 -12.510 5.847 0.954 1.00 0.00 C ATOM 166 O GLU A 35 -13.337 6.748 0.817 1.00 0.00 O ATOM 167 CB GLU A 35 -14.309 4.087 0.781 1.00 0.00 C ATOM 168 CG GLU A 35 -14.574 2.591 0.604 1.00 0.00 C ATOM 169 CD GLU A 35 -15.916 2.351 -0.090 1.00 0.00 C ATOM 170 OE1 GLU A 35 -16.909 2.958 0.368 1.00 0.00 O ATOM 171 OE2 GLU A 35 -15.919 1.567 -1.063 1.00 0.00 O ATOM 0 H GLU A 35 -12.280 3.174 2.104 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.674 4.343 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.576 4.390 1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.943 4.655 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.772 2.143 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.571 2.100 1.577 1.00 0.00 H new ATOM 176 N LYS A 36 -11.302 6.011 1.473 1.00 0.00 N ATOM 177 CA LYS A 36 -10.855 7.314 1.934 1.00 0.00 C ATOM 178 C LYS A 36 -10.188 8.057 0.775 1.00 0.00 C ATOM 179 O LYS A 36 -9.861 9.238 0.896 1.00 0.00 O ATOM 180 CB LYS A 36 -9.961 7.169 3.167 1.00 0.00 C ATOM 181 CG LYS A 36 -10.796 6.892 4.419 1.00 0.00 C ATOM 182 CD LYS A 36 -10.748 8.080 5.383 1.00 0.00 C ATOM 183 CE LYS A 36 -12.158 8.531 5.766 1.00 0.00 C ATOM 184 NZ LYS A 36 -12.639 7.783 6.950 1.00 0.00 N ATOM 0 H LYS A 36 -10.619 5.262 1.584 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.704 7.917 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.250 6.357 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.379 8.080 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.829 6.691 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.423 5.998 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.194 7.803 6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.211 8.908 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.159 9.600 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.837 8.373 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.598 8.102 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.657 6.766 6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.000 7.955 7.752 1.00 0.00 H new ATOM 194 N LYS A 37 -10.006 7.338 -0.322 1.00 0.00 N ATOM 195 CA LYS A 37 -9.384 7.914 -1.502 1.00 0.00 C ATOM 196 C LYS A 37 -8.022 8.498 -1.122 1.00 0.00 C ATOM 197 O LYS A 37 -7.655 8.511 0.052 1.00 0.00 O ATOM 198 CB LYS A 37 -10.323 8.927 -2.163 1.00 0.00 C ATOM 199 CG LYS A 37 -11.531 8.226 -2.790 1.00 0.00 C ATOM 200 CD LYS A 37 -12.812 8.546 -2.019 1.00 0.00 C ATOM 201 CE LYS A 37 -13.939 8.949 -2.972 1.00 0.00 C ATOM 202 NZ LYS A 37 -14.194 10.405 -2.888 1.00 0.00 N ATOM 0 H LYS A 37 -10.279 6.360 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.204 7.143 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.662 9.651 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.783 9.483 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.639 8.540 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.367 7.148 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.117 7.677 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.623 9.353 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.673 8.679 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.847 8.400 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.962 10.661 -3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.469 10.654 -1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.331 10.924 -3.147 1.00 0.00 H new ATOM 212 N VAL A 38 -7.310 8.965 -2.136 1.00 0.00 N ATOM 213 CA VAL A 38 -5.996 9.547 -1.923 1.00 0.00 C ATOM 214 C VAL A 38 -5.692 10.537 -3.050 1.00 0.00 C ATOM 215 O VAL A 38 -6.586 10.917 -3.804 1.00 0.00 O ATOM 216 CB VAL A 38 -4.946 8.440 -1.801 1.00 0.00 C ATOM 217 CG1 VAL A 38 -5.253 7.522 -0.615 1.00 0.00 C ATOM 218 CG2 VAL A 38 -4.840 7.639 -3.101 1.00 0.00 C ATOM 0 H VAL A 38 -7.618 8.952 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.973 10.103 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.981 8.912 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.492 6.744 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.255 8.105 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.231 7.062 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.087 6.859 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.804 7.183 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.553 8.304 -3.916 1.00 0.00 H new ATOM 228 N ASP A 39 -4.428 10.926 -3.128 1.00 0.00 N ATOM 229 CA ASP A 39 -3.996 11.864 -4.149 1.00 0.00 C ATOM 230 C ASP A 39 -2.467 11.888 -4.199 1.00 0.00 C ATOM 231 O ASP A 39 -1.830 12.630 -3.451 1.00 0.00 O ATOM 232 CB ASP A 39 -4.482 13.280 -3.838 1.00 0.00 C ATOM 233 CG ASP A 39 -4.944 14.087 -5.052 1.00 0.00 C ATOM 234 OD1 ASP A 39 -4.540 13.708 -6.172 1.00 0.00 O ATOM 235 OD2 ASP A 39 -5.691 15.065 -4.833 1.00 0.00 O ATOM 0 H ASP A 39 -3.689 10.608 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.415 11.541 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.306 13.217 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.677 13.824 -3.344 1.00 0.00 H new ATOM 239 N MET A 40 -1.921 11.070 -5.086 1.00 0.00 N ATOM 240 CA MET A 40 -0.478 10.988 -5.242 1.00 0.00 C ATOM 241 C MET A 40 0.102 12.336 -5.677 1.00 0.00 C ATOM 242 O MET A 40 1.274 12.618 -5.433 1.00 0.00 O ATOM 243 CB MET A 40 -0.138 9.924 -6.286 1.00 0.00 C ATOM 244 CG MET A 40 -0.712 8.562 -5.889 1.00 0.00 C ATOM 245 SD MET A 40 0.302 7.817 -4.624 1.00 0.00 S ATOM 246 CE MET A 40 -0.365 8.622 -3.177 1.00 0.00 C ATOM 0 H MET A 40 -2.452 10.457 -5.705 1.00 0.00 H new ATOM 0 HA MET A 40 -0.040 10.718 -4.281 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.536 10.221 -7.256 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.944 9.849 -6.395 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.733 8.680 -5.525 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.758 7.909 -6.761 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.453 7.899 -2.366 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.299 9.431 -2.872 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.349 9.029 -3.408 1.00 0.00 H new ATOM 254 N SER A 41 -0.745 13.131 -6.314 1.00 0.00 N ATOM 255 CA SER A 41 -0.330 14.441 -6.785 1.00 0.00 C ATOM 256 C SER A 41 -0.168 15.396 -5.600 1.00 0.00 C ATOM 257 O SER A 41 0.305 16.520 -5.764 1.00 0.00 O ATOM 258 CB SER A 41 -1.336 15.009 -7.789 1.00 0.00 C ATOM 259 OG SER A 41 -0.697 15.488 -8.969 1.00 0.00 O ATOM 0 H SER A 41 -1.716 12.893 -6.515 1.00 0.00 H new ATOM 0 HA SER A 41 0.629 14.334 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.058 14.237 -8.055 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.894 15.821 -7.323 1.00 0.00 H new ATOM 0 HG SER A 41 -1.372 15.841 -9.586 1.00 0.00 H new ATOM 264 N LYS A 42 -0.567 14.914 -4.433 1.00 0.00 N ATOM 265 CA LYS A 42 -0.471 15.711 -3.221 1.00 0.00 C ATOM 266 C LYS A 42 0.480 15.025 -2.240 1.00 0.00 C ATOM 267 O LYS A 42 1.242 15.692 -1.541 1.00 0.00 O ATOM 268 CB LYS A 42 -1.863 15.977 -2.644 1.00 0.00 C ATOM 269 CG LYS A 42 -2.891 16.177 -3.760 1.00 0.00 C ATOM 270 CD LYS A 42 -2.653 17.499 -4.493 1.00 0.00 C ATOM 271 CE LYS A 42 -3.976 18.126 -4.937 1.00 0.00 C ATOM 272 NZ LYS A 42 -4.535 17.392 -6.093 1.00 0.00 N ATOM 0 H LYS A 42 -0.958 13.981 -4.300 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.050 16.692 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.165 15.141 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.834 16.862 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.832 15.349 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.897 16.166 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.120 18.190 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.018 17.328 -5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.687 18.112 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.819 19.171 -5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.220 17.996 -6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.767 17.133 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.012 16.530 -5.759 1.00 0.00 H new ATOM 282 N VAL A 43 0.407 13.703 -2.219 1.00 0.00 N ATOM 283 CA VAL A 43 1.253 12.920 -1.334 1.00 0.00 C ATOM 284 C VAL A 43 2.296 12.169 -2.165 1.00 0.00 C ATOM 285 O VAL A 43 2.056 11.852 -3.329 1.00 0.00 O ATOM 286 CB VAL A 43 0.393 11.991 -0.474 1.00 0.00 C ATOM 287 CG1 VAL A 43 -0.984 11.778 -1.105 1.00 0.00 C ATOM 288 CG2 VAL A 43 1.100 10.656 -0.234 1.00 0.00 C ATOM 0 H VAL A 43 -0.225 13.153 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 43 1.792 13.571 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 43 0.246 12.470 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.575 11.114 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.493 12.737 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.867 11.331 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.468 10.015 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.292 10.169 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.045 10.832 0.280 1.00 0.00 H new ATOM 298 N ASN A 44 3.431 11.907 -1.535 1.00 0.00 N ATOM 299 CA ASN A 44 4.511 11.199 -2.201 1.00 0.00 C ATOM 300 C ASN A 44 4.336 9.694 -1.988 1.00 0.00 C ATOM 301 O ASN A 44 4.180 9.237 -0.857 1.00 0.00 O ATOM 302 CB ASN A 44 5.871 11.603 -1.628 1.00 0.00 C ATOM 303 CG ASN A 44 6.434 12.823 -2.360 1.00 0.00 C ATOM 304 OD1 ASN A 44 5.851 13.338 -3.300 1.00 0.00 O ATOM 305 ND2 ASN A 44 7.598 13.253 -1.880 1.00 0.00 N ATOM 0 H ASN A 44 3.627 12.172 -0.570 1.00 0.00 H new ATOM 0 HA ASN A 44 4.477 11.452 -3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.770 11.826 -0.566 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.568 10.769 -1.714 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.057 14.060 -2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.032 12.775 -1.090 1.00 0.00 H new ATOM 311 N LEU A 45 4.369 8.965 -3.094 1.00 0.00 N ATOM 312 CA LEU A 45 4.217 7.521 -3.043 1.00 0.00 C ATOM 313 C LEU A 45 5.597 6.871 -2.919 1.00 0.00 C ATOM 314 O LEU A 45 5.721 5.764 -2.397 1.00 0.00 O ATOM 315 CB LEU A 45 3.409 7.024 -4.243 1.00 0.00 C ATOM 316 CG LEU A 45 4.206 6.327 -5.347 1.00 0.00 C ATOM 317 CD1 LEU A 45 5.294 7.250 -5.903 1.00 0.00 C ATOM 318 CD2 LEU A 45 4.780 4.998 -4.854 1.00 0.00 C ATOM 0 H LEU A 45 4.499 9.347 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 45 3.646 7.229 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.647 6.334 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.887 7.874 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 45 3.526 6.099 -6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.846 6.731 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.834 8.147 -6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.978 7.530 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.342 4.524 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.442 5.179 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.966 4.343 -4.544 1.00 0.00 H new ATOM 329 N GLU A 46 6.599 7.586 -3.409 1.00 0.00 N ATOM 330 CA GLU A 46 7.964 7.093 -3.360 1.00 0.00 C ATOM 331 C GLU A 46 8.377 6.814 -1.913 1.00 0.00 C ATOM 332 O GLU A 46 9.084 5.846 -1.641 1.00 0.00 O ATOM 333 CB GLU A 46 8.928 8.078 -4.024 1.00 0.00 C ATOM 334 CG GLU A 46 9.508 7.493 -5.313 1.00 0.00 C ATOM 335 CD GLU A 46 11.010 7.241 -5.173 1.00 0.00 C ATOM 336 OE1 GLU A 46 11.383 6.566 -4.189 1.00 0.00 O ATOM 337 OE2 GLU A 46 11.752 7.727 -6.053 1.00 0.00 O ATOM 0 H GLU A 46 6.492 8.503 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 46 8.011 6.158 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.407 9.009 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.737 8.322 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.000 6.559 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.326 8.178 -6.141 1.00 0.00 H new ATOM 342 N VAL A 47 7.916 7.681 -1.022 1.00 0.00 N ATOM 343 CA VAL A 47 8.228 7.541 0.389 1.00 0.00 C ATOM 344 C VAL A 47 7.494 6.320 0.950 1.00 0.00 C ATOM 345 O VAL A 47 7.708 5.937 2.099 1.00 0.00 O ATOM 346 CB VAL A 47 7.888 8.835 1.132 1.00 0.00 C ATOM 347 CG1 VAL A 47 8.843 9.961 0.732 1.00 0.00 C ATOM 348 CG2 VAL A 47 6.432 9.238 0.893 1.00 0.00 C ATOM 0 H VAL A 47 7.329 8.483 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 47 9.296 7.373 0.529 1.00 0.00 H new ATOM 0 HB VAL A 47 8.013 8.653 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.581 10.870 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.866 9.675 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.764 10.142 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.217 10.161 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.268 9.394 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.772 8.447 1.250 1.00 0.00 H new ATOM 358 N ILE A 48 6.646 5.744 0.112 1.00 0.00 N ATOM 359 CA ILE A 48 5.879 4.574 0.511 1.00 0.00 C ATOM 360 C ILE A 48 6.397 3.349 -0.246 1.00 0.00 C ATOM 361 O ILE A 48 6.001 2.222 0.046 1.00 0.00 O ATOM 362 CB ILE A 48 4.382 4.826 0.323 1.00 0.00 C ATOM 363 CG1 ILE A 48 4.079 6.325 0.274 1.00 0.00 C ATOM 364 CG2 ILE A 48 3.566 4.112 1.403 1.00 0.00 C ATOM 365 CD1 ILE A 48 4.311 6.977 1.639 1.00 0.00 C ATOM 0 H ILE A 48 6.472 6.064 -0.841 1.00 0.00 H new ATOM 0 HA ILE A 48 6.014 4.373 1.574 1.00 0.00 H new ATOM 0 HB ILE A 48 4.084 4.406 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.712 6.803 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.046 6.481 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.505 4.308 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.749 3.039 1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.862 4.480 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.088 8.042 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.659 6.513 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.351 6.841 1.935 1.00 0.00 H new ATOM 376 N LYS A 49 7.274 3.613 -1.203 1.00 0.00 N ATOM 377 CA LYS A 49 7.849 2.545 -2.005 1.00 0.00 C ATOM 378 C LYS A 49 8.543 1.539 -1.083 1.00 0.00 C ATOM 379 O LYS A 49 8.346 0.332 -1.215 1.00 0.00 O ATOM 380 CB LYS A 49 8.765 3.121 -3.087 1.00 0.00 C ATOM 381 CG LYS A 49 8.303 2.693 -4.480 1.00 0.00 C ATOM 382 CD LYS A 49 6.789 2.854 -4.630 1.00 0.00 C ATOM 383 CE LYS A 49 6.089 1.494 -4.621 1.00 0.00 C ATOM 384 NZ LYS A 49 4.803 1.577 -3.893 1.00 0.00 N ATOM 0 H LYS A 49 7.601 4.549 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 49 7.067 2.004 -2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.773 4.209 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.788 2.784 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.812 3.291 -5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.581 1.654 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.403 3.471 -3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.566 3.376 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.913 1.162 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.732 0.750 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.798 0.885 -3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.685 2.534 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.020 1.370 -4.546 1.00 0.00 H new ATOM 394 N PRO A 50 9.363 2.088 -0.148 1.00 0.00 N ATOM 395 CA PRO A 50 10.087 1.253 0.796 1.00 0.00 C ATOM 396 C PRO A 50 9.153 0.714 1.881 1.00 0.00 C ATOM 397 O PRO A 50 9.398 -0.354 2.441 1.00 0.00 O ATOM 398 CB PRO A 50 11.187 2.145 1.348 1.00 0.00 C ATOM 399 CG PRO A 50 10.756 3.571 1.048 1.00 0.00 C ATOM 400 CD PRO A 50 9.622 3.513 0.038 1.00 0.00 C ATOM 0 HA PRO A 50 10.511 0.363 0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.313 1.992 2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.145 1.920 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.430 4.071 1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.592 4.147 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.737 4.031 0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.903 3.990 -0.901 1.00 0.00 H new ATOM 405 N TRP A 51 8.102 1.476 2.144 1.00 0.00 N ATOM 406 CA TRP A 51 7.130 1.088 3.152 1.00 0.00 C ATOM 407 C TRP A 51 6.283 -0.049 2.578 1.00 0.00 C ATOM 408 O TRP A 51 6.064 -1.061 3.242 1.00 0.00 O ATOM 409 CB TRP A 51 6.295 2.289 3.599 1.00 0.00 C ATOM 410 CG TRP A 51 5.366 1.997 4.779 1.00 0.00 C ATOM 411 CD1 TRP A 51 5.527 2.344 6.062 1.00 0.00 C ATOM 412 CD2 TRP A 51 4.115 1.277 4.729 1.00 0.00 C ATOM 413 NE1 TRP A 51 4.476 1.902 6.841 1.00 0.00 N ATOM 414 CE2 TRP A 51 3.591 1.233 6.005 1.00 0.00 C ATOM 415 CE3 TRP A 51 3.449 0.683 3.642 1.00 0.00 C ATOM 416 CZ2 TRP A 51 2.378 0.607 6.314 1.00 0.00 C ATOM 417 CZ3 TRP A 51 2.238 0.060 3.968 1.00 0.00 C ATOM 418 CH2 TRP A 51 1.697 0.008 5.248 1.00 0.00 C ATOM 0 H TRP A 51 7.902 2.360 1.677 1.00 0.00 H new ATOM 0 HA TRP A 51 7.629 0.730 4.052 1.00 0.00 H new ATOM 0 HB2 TRP A 51 6.966 3.104 3.871 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.697 2.636 2.756 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.372 2.900 6.440 1.00 0.00 H new ATOM 0 HE1 TRP A 51 4.369 2.041 7.846 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.840 0.706 2.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.988 0.587 7.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.686 -0.413 3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 51 0.755 -0.492 5.419 1.00 0.00 H new ATOM 428 N ILE A 52 5.828 0.156 1.351 1.00 0.00 N ATOM 429 CA ILE A 52 5.008 -0.839 0.680 1.00 0.00 C ATOM 430 C ILE A 52 5.870 -2.057 0.340 1.00 0.00 C ATOM 431 O ILE A 52 5.508 -3.189 0.661 1.00 0.00 O ATOM 432 CB ILE A 52 4.305 -0.226 -0.533 1.00 0.00 C ATOM 433 CG1 ILE A 52 2.966 0.397 -0.132 1.00 0.00 C ATOM 434 CG2 ILE A 52 4.146 -1.256 -1.653 1.00 0.00 C ATOM 435 CD1 ILE A 52 2.893 1.863 -0.561 1.00 0.00 C ATOM 0 H ILE A 52 6.012 0.997 0.803 1.00 0.00 H new ATOM 0 HA ILE A 52 4.212 -1.184 1.340 1.00 0.00 H new ATOM 0 HB ILE A 52 4.931 0.577 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.150 -0.161 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.835 0.323 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.644 -0.795 -2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.129 -1.612 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.552 -2.096 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.931 2.282 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.696 2.423 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.999 1.931 -1.644 1.00 0.00 H new ATOM 446 N THR A 53 6.995 -1.785 -0.306 1.00 0.00 N ATOM 447 CA THR A 53 7.910 -2.845 -0.693 1.00 0.00 C ATOM 448 C THR A 53 8.343 -3.650 0.533 1.00 0.00 C ATOM 449 O THR A 53 8.485 -4.870 0.461 1.00 0.00 O ATOM 450 CB THR A 53 9.081 -2.206 -1.444 1.00 0.00 C ATOM 451 OG1 THR A 53 8.474 -1.596 -2.579 1.00 0.00 O ATOM 452 CG2 THR A 53 10.029 -3.247 -2.043 1.00 0.00 C ATOM 0 H THR A 53 7.293 -0.846 -0.571 1.00 0.00 H new ATOM 0 HA THR A 53 7.428 -3.561 -1.359 1.00 0.00 H new ATOM 0 HB THR A 53 9.636 -1.556 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.263 -0.661 -2.374 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.842 -2.742 -2.565 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.439 -3.867 -1.246 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.482 -3.875 -2.746 1.00 0.00 H new ATOM 460 N LYS A 54 8.540 -2.936 1.632 1.00 0.00 N ATOM 461 CA LYS A 54 8.952 -3.570 2.872 1.00 0.00 C ATOM 462 C LYS A 54 7.764 -4.319 3.478 1.00 0.00 C ATOM 463 O LYS A 54 7.924 -5.415 4.012 1.00 0.00 O ATOM 464 CB LYS A 54 9.577 -2.541 3.817 1.00 0.00 C ATOM 465 CG LYS A 54 10.029 -3.200 5.123 1.00 0.00 C ATOM 466 CD LYS A 54 10.087 -2.177 6.260 1.00 0.00 C ATOM 467 CE LYS A 54 9.742 -2.829 7.601 1.00 0.00 C ATOM 468 NZ LYS A 54 9.321 -1.804 8.582 1.00 0.00 N ATOM 0 H LYS A 54 8.422 -1.924 1.689 1.00 0.00 H new ATOM 0 HA LYS A 54 9.730 -4.309 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.429 -2.066 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.854 -1.754 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.341 -4.004 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.011 -3.653 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.084 -1.739 6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.391 -1.363 6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.944 -3.558 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.607 -3.372 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.091 -2.263 9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.094 -1.123 8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.482 -1.304 8.224 1.00 0.00 H new ATOM 478 N ARG A 55 6.599 -3.698 3.373 1.00 0.00 N ATOM 479 CA ARG A 55 5.384 -4.293 3.904 1.00 0.00 C ATOM 480 C ARG A 55 5.041 -5.573 3.139 1.00 0.00 C ATOM 481 O ARG A 55 4.806 -6.618 3.744 1.00 0.00 O ATOM 482 CB ARG A 55 4.207 -3.319 3.807 1.00 0.00 C ATOM 483 CG ARG A 55 4.012 -2.563 5.122 1.00 0.00 C ATOM 484 CD ARG A 55 3.603 -3.516 6.247 1.00 0.00 C ATOM 485 NE ARG A 55 2.205 -3.249 6.654 1.00 0.00 N ATOM 486 CZ ARG A 55 1.668 -3.658 7.812 1.00 0.00 C ATOM 487 NH1 ARG A 55 2.409 -4.354 8.685 1.00 0.00 N ATOM 488 NH2 ARG A 55 0.391 -3.369 8.097 1.00 0.00 N ATOM 0 H ARG A 55 6.470 -2.789 2.928 1.00 0.00 H new ATOM 0 HA ARG A 55 5.561 -4.529 4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.383 -2.610 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.297 -3.866 3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.936 -2.051 5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.248 -1.796 4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.702 -4.549 5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.269 -3.391 7.101 1.00 0.00 H new ATOM 0 HE ARG A 55 1.613 -2.721 6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.381 -4.572 8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.001 -4.665 9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.172 -2.838 7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.018 -3.680 8.978 1.00 0.00 H new ATOM 499 N VAL A 56 5.024 -5.450 1.819 1.00 0.00 N ATOM 500 CA VAL A 56 4.715 -6.584 0.966 1.00 0.00 C ATOM 501 C VAL A 56 5.766 -7.675 1.174 1.00 0.00 C ATOM 502 O VAL A 56 5.438 -8.861 1.210 1.00 0.00 O ATOM 503 CB VAL A 56 4.606 -6.129 -0.491 1.00 0.00 C ATOM 504 CG1 VAL A 56 3.386 -5.229 -0.694 1.00 0.00 C ATOM 505 CG2 VAL A 56 5.888 -5.425 -0.942 1.00 0.00 C ATOM 0 H VAL A 56 5.219 -4.582 1.320 1.00 0.00 H new ATOM 0 HA VAL A 56 3.748 -7.010 1.233 1.00 0.00 H new ATOM 0 HB VAL A 56 4.475 -7.016 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.332 -4.920 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.482 -5.777 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.474 -4.348 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.785 -5.112 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.063 -4.551 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.731 -6.111 -0.852 1.00 0.00 H new ATOM 515 N THR A 57 7.010 -7.237 1.307 1.00 0.00 N ATOM 516 CA THR A 57 8.112 -8.162 1.511 1.00 0.00 C ATOM 517 C THR A 57 8.004 -8.824 2.887 1.00 0.00 C ATOM 518 O THR A 57 8.233 -10.025 3.021 1.00 0.00 O ATOM 519 CB THR A 57 9.419 -7.394 1.308 1.00 0.00 C ATOM 520 OG1 THR A 57 9.387 -7.013 -0.066 1.00 0.00 O ATOM 521 CG2 THR A 57 10.651 -8.293 1.417 1.00 0.00 C ATOM 0 H THR A 57 7.279 -6.254 1.277 1.00 0.00 H new ATOM 0 HA THR A 57 8.082 -8.978 0.788 1.00 0.00 H new ATOM 0 HB THR A 57 9.488 -6.595 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.278 -6.041 -0.134 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.551 -7.697 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.681 -8.750 2.406 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.600 -9.074 0.658 1.00 0.00 H new ATOM 529 N GLU A 58 7.656 -8.012 3.873 1.00 0.00 N ATOM 530 CA GLU A 58 7.515 -8.503 5.234 1.00 0.00 C ATOM 531 C GLU A 58 6.248 -9.353 5.363 1.00 0.00 C ATOM 532 O GLU A 58 6.188 -10.259 6.191 1.00 0.00 O ATOM 533 CB GLU A 58 7.505 -7.348 6.236 1.00 0.00 C ATOM 534 CG GLU A 58 8.930 -6.929 6.604 1.00 0.00 C ATOM 535 CD GLU A 58 9.036 -6.589 8.091 1.00 0.00 C ATOM 536 OE1 GLU A 58 8.048 -6.030 8.618 1.00 0.00 O ATOM 537 OE2 GLU A 58 10.100 -6.894 8.669 1.00 0.00 O ATOM 0 H GLU A 58 7.467 -7.016 3.757 1.00 0.00 H new ATOM 0 HA GLU A 58 8.376 -9.131 5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.970 -6.498 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.966 -7.647 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.623 -7.734 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.224 -6.065 6.008 1.00 0.00 H new ATOM 542 N ILE A 59 5.270 -9.028 4.531 1.00 0.00 N ATOM 543 CA ILE A 59 4.009 -9.749 4.542 1.00 0.00 C ATOM 544 C ILE A 59 4.276 -11.239 4.316 1.00 0.00 C ATOM 545 O ILE A 59 3.749 -12.084 5.036 1.00 0.00 O ATOM 546 CB ILE A 59 3.033 -9.139 3.533 1.00 0.00 C ATOM 547 CG1 ILE A 59 2.351 -7.898 4.113 1.00 0.00 C ATOM 548 CG2 ILE A 59 2.019 -10.179 3.053 1.00 0.00 C ATOM 549 CD1 ILE A 59 1.907 -6.947 2.999 1.00 0.00 C ATOM 0 H ILE A 59 5.325 -8.275 3.845 1.00 0.00 H new ATOM 0 HA ILE A 59 3.526 -9.655 5.514 1.00 0.00 H new ATOM 0 HB ILE A 59 3.600 -8.817 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.487 -8.197 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.037 -7.382 4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.338 -9.719 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.544 -11.006 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.452 -10.554 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.425 -6.073 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.776 -6.631 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.203 -7.459 2.343 1.00 0.00 H new ATOM 560 N LEU A 60 5.095 -11.514 3.311 1.00 0.00 N ATOM 561 CA LEU A 60 5.438 -12.887 2.980 1.00 0.00 C ATOM 562 C LEU A 60 6.809 -13.222 3.574 1.00 0.00 C ATOM 563 O LEU A 60 6.983 -14.275 4.184 1.00 0.00 O ATOM 564 CB LEU A 60 5.351 -13.111 1.469 1.00 0.00 C ATOM 565 CG LEU A 60 5.038 -11.876 0.625 1.00 0.00 C ATOM 566 CD1 LEU A 60 6.318 -11.113 0.273 1.00 0.00 C ATOM 567 CD2 LEU A 60 4.235 -12.252 -0.622 1.00 0.00 C ATOM 0 H LEU A 60 5.531 -10.810 2.715 1.00 0.00 H new ATOM 0 HA LEU A 60 4.720 -13.577 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.299 -13.528 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.585 -13.862 1.277 1.00 0.00 H new ATOM 0 HG LEU A 60 4.416 -11.206 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.067 -10.239 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.815 -10.793 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.985 -11.763 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.026 -11.355 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.810 -12.952 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.296 -12.718 -0.323 1.00 0.00 H new ATOM 578 N GLY A 61 7.745 -12.307 3.373 1.00 0.00 N ATOM 579 CA GLY A 61 9.094 -12.491 3.881 1.00 0.00 C ATOM 580 C GLY A 61 10.129 -12.302 2.770 1.00 0.00 C ATOM 581 O GLY A 61 11.326 -12.222 3.039 1.00 0.00 O ATOM 0 H GLY A 61 7.596 -11.435 2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.284 -11.780 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.192 -13.489 4.309 1.00 0.00 H new ATOM 585 N PHE A 62 9.629 -12.237 1.544 1.00 0.00 N ATOM 586 CA PHE A 62 10.495 -12.058 0.392 1.00 0.00 C ATOM 587 C PHE A 62 10.013 -10.899 -0.482 1.00 0.00 C ATOM 588 O PHE A 62 8.829 -10.565 -0.479 1.00 0.00 O ATOM 589 CB PHE A 62 10.432 -13.354 -0.420 1.00 0.00 C ATOM 590 CG PHE A 62 9.022 -13.927 -0.569 1.00 0.00 C ATOM 591 CD1 PHE A 62 8.201 -13.467 -1.551 1.00 0.00 C ATOM 592 CD2 PHE A 62 8.588 -14.896 0.282 1.00 0.00 C ATOM 593 CE1 PHE A 62 6.892 -13.999 -1.689 1.00 0.00 C ATOM 594 CE2 PHE A 62 7.278 -15.428 0.143 1.00 0.00 C ATOM 595 CZ PHE A 62 6.458 -14.968 -0.839 1.00 0.00 C ATOM 0 H PHE A 62 8.635 -12.305 1.324 1.00 0.00 H new ATOM 0 HA PHE A 62 11.509 -11.832 0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.845 -13.170 -1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.068 -14.100 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.545 -12.697 -2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.239 -15.261 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.241 -13.634 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.934 -16.198 0.818 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.462 -15.372 -0.944 1.00 0.00 H new ATOM 604 N GLU A 63 10.954 -10.317 -1.210 1.00 0.00 N ATOM 605 CA GLU A 63 10.641 -9.202 -2.088 1.00 0.00 C ATOM 606 C GLU A 63 9.869 -9.693 -3.315 1.00 0.00 C ATOM 607 O GLU A 63 10.426 -10.382 -4.168 1.00 0.00 O ATOM 608 CB GLU A 63 11.910 -8.455 -2.501 1.00 0.00 C ATOM 609 CG GLU A 63 11.580 -7.045 -2.995 1.00 0.00 C ATOM 610 CD GLU A 63 12.856 -6.261 -3.305 1.00 0.00 C ATOM 611 OE1 GLU A 63 13.308 -6.348 -4.467 1.00 0.00 O ATOM 612 OE2 GLU A 63 13.351 -5.591 -2.373 1.00 0.00 O ATOM 0 H GLU A 63 11.935 -10.597 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 63 10.009 -8.502 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.594 -8.397 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.423 -9.009 -3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.959 -7.105 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.999 -6.517 -2.239 1.00 0.00 H new ATOM 617 N ASP A 64 8.599 -9.319 -3.364 1.00 0.00 N ATOM 618 CA ASP A 64 7.745 -9.713 -4.472 1.00 0.00 C ATOM 619 C ASP A 64 8.094 -8.871 -5.702 1.00 0.00 C ATOM 620 O ASP A 64 9.231 -8.429 -5.854 1.00 0.00 O ATOM 621 CB ASP A 64 6.270 -9.477 -4.141 1.00 0.00 C ATOM 622 CG ASP A 64 5.867 -9.818 -2.705 1.00 0.00 C ATOM 623 OD1 ASP A 64 5.852 -11.029 -2.392 1.00 0.00 O ATOM 624 OD2 ASP A 64 5.585 -8.860 -1.953 1.00 0.00 O ATOM 0 H ASP A 64 8.141 -8.747 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 64 7.907 -10.774 -4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.034 -8.430 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.661 -10.069 -4.824 1.00 0.00 H new ATOM 628 N ASP A 65 7.094 -8.677 -6.548 1.00 0.00 N ATOM 629 CA ASP A 65 7.280 -7.896 -7.760 1.00 0.00 C ATOM 630 C ASP A 65 5.916 -7.609 -8.390 1.00 0.00 C ATOM 631 O ASP A 65 5.621 -6.468 -8.745 1.00 0.00 O ATOM 632 CB ASP A 65 8.122 -8.661 -8.784 1.00 0.00 C ATOM 633 CG ASP A 65 9.551 -8.145 -8.960 1.00 0.00 C ATOM 634 OD1 ASP A 65 9.684 -6.990 -9.420 1.00 0.00 O ATOM 635 OD2 ASP A 65 10.478 -8.916 -8.632 1.00 0.00 O ATOM 0 H ASP A 65 6.152 -9.047 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 65 7.791 -6.972 -7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.164 -9.709 -8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.616 -8.623 -9.749 1.00 0.00 H new ATOM 639 N VAL A 66 5.121 -8.662 -8.512 1.00 0.00 N ATOM 640 CA VAL A 66 3.796 -8.536 -9.094 1.00 0.00 C ATOM 641 C VAL A 66 2.930 -7.655 -8.193 1.00 0.00 C ATOM 642 O VAL A 66 2.214 -6.779 -8.677 1.00 0.00 O ATOM 643 CB VAL A 66 3.194 -9.923 -9.330 1.00 0.00 C ATOM 644 CG1 VAL A 66 2.231 -10.301 -8.203 1.00 0.00 C ATOM 645 CG2 VAL A 66 2.501 -9.995 -10.691 1.00 0.00 C ATOM 0 H VAL A 66 5.369 -9.606 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 66 3.852 -8.050 -10.068 1.00 0.00 H new ATOM 0 HB VAL A 66 4.009 -10.647 -9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.817 -11.291 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.767 -10.310 -7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.422 -9.572 -8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.082 -10.991 -10.834 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.701 -9.256 -10.732 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.225 -9.790 -11.479 1.00 0.00 H new ATOM 655 N VAL A 67 3.023 -7.915 -6.897 1.00 0.00 N ATOM 656 CA VAL A 67 2.256 -7.156 -5.924 1.00 0.00 C ATOM 657 C VAL A 67 2.829 -5.741 -5.820 1.00 0.00 C ATOM 658 O VAL A 67 2.081 -4.768 -5.758 1.00 0.00 O ATOM 659 CB VAL A 67 2.238 -7.893 -4.583 1.00 0.00 C ATOM 660 CG1 VAL A 67 2.304 -9.407 -4.788 1.00 0.00 C ATOM 661 CG2 VAL A 67 3.375 -7.412 -3.678 1.00 0.00 C ATOM 0 H VAL A 67 3.618 -8.641 -6.498 1.00 0.00 H new ATOM 0 HA VAL A 67 1.218 -7.064 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 67 1.295 -7.663 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.290 -9.906 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.446 -9.732 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.223 -9.663 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.340 -7.951 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.332 -7.598 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.264 -6.344 -3.491 1.00 0.00 H new ATOM 671 N ILE A 68 4.152 -5.672 -5.806 1.00 0.00 N ATOM 672 CA ILE A 68 4.835 -4.394 -5.712 1.00 0.00 C ATOM 673 C ILE A 68 4.473 -3.537 -6.927 1.00 0.00 C ATOM 674 O ILE A 68 4.110 -2.370 -6.783 1.00 0.00 O ATOM 675 CB ILE A 68 6.340 -4.600 -5.533 1.00 0.00 C ATOM 676 CG1 ILE A 68 6.629 -5.503 -4.332 1.00 0.00 C ATOM 677 CG2 ILE A 68 7.069 -3.260 -5.430 1.00 0.00 C ATOM 678 CD1 ILE A 68 8.071 -6.014 -4.365 1.00 0.00 C ATOM 0 H ILE A 68 4.770 -6.482 -5.858 1.00 0.00 H new ATOM 0 HA ILE A 68 4.504 -3.851 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 68 6.723 -5.107 -6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.456 -4.952 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.940 -6.348 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.137 -3.436 -5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.901 -2.684 -6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.689 -2.704 -4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.250 -6.653 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.234 -6.585 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.758 -5.168 -4.339 1.00 0.00 H new ATOM 689 N GLU A 69 4.583 -4.149 -8.097 1.00 0.00 N ATOM 690 CA GLU A 69 4.271 -3.457 -9.336 1.00 0.00 C ATOM 691 C GLU A 69 2.842 -2.914 -9.296 1.00 0.00 C ATOM 692 O GLU A 69 2.587 -1.792 -9.733 1.00 0.00 O ATOM 693 CB GLU A 69 4.476 -4.375 -10.543 1.00 0.00 C ATOM 694 CG GLU A 69 5.773 -4.032 -11.279 1.00 0.00 C ATOM 695 CD GLU A 69 5.575 -4.092 -12.795 1.00 0.00 C ATOM 696 OE1 GLU A 69 4.830 -4.994 -13.235 1.00 0.00 O ATOM 697 OE2 GLU A 69 6.174 -3.235 -13.480 1.00 0.00 O ATOM 0 H GLU A 69 4.884 -5.117 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 69 4.955 -2.615 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.504 -5.414 -10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.631 -4.280 -11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.106 -3.035 -10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.558 -4.728 -10.983 1.00 0.00 H new ATOM 702 N PHE A 70 1.946 -3.735 -8.769 1.00 0.00 N ATOM 703 CA PHE A 70 0.548 -3.353 -8.668 1.00 0.00 C ATOM 704 C PHE A 70 0.392 -2.059 -7.866 1.00 0.00 C ATOM 705 O PHE A 70 -0.326 -1.149 -8.281 1.00 0.00 O ATOM 706 CB PHE A 70 -0.175 -4.484 -7.933 1.00 0.00 C ATOM 707 CG PHE A 70 -0.820 -5.515 -8.861 1.00 0.00 C ATOM 708 CD1 PHE A 70 -1.496 -5.105 -9.967 1.00 0.00 C ATOM 709 CD2 PHE A 70 -0.718 -6.841 -8.579 1.00 0.00 C ATOM 710 CE1 PHE A 70 -2.097 -6.062 -10.828 1.00 0.00 C ATOM 711 CE2 PHE A 70 -1.319 -7.799 -9.440 1.00 0.00 C ATOM 712 CZ PHE A 70 -1.995 -7.388 -10.546 1.00 0.00 C ATOM 0 H PHE A 70 2.161 -4.664 -8.407 1.00 0.00 H new ATOM 0 HA PHE A 70 0.135 -3.187 -9.663 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.535 -4.992 -7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.945 -4.054 -7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.576 -4.052 -10.191 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.180 -7.166 -7.701 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.635 -5.736 -11.706 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.239 -8.852 -9.216 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.451 -8.116 -11.201 1.00 0.00 H new ATOM 721 N ILE A 71 1.074 -2.018 -6.731 1.00 0.00 N ATOM 722 CA ILE A 71 1.020 -0.850 -5.868 1.00 0.00 C ATOM 723 C ILE A 71 1.788 0.299 -6.522 1.00 0.00 C ATOM 724 O ILE A 71 1.319 1.437 -6.534 1.00 0.00 O ATOM 725 CB ILE A 71 1.516 -1.199 -4.462 1.00 0.00 C ATOM 726 CG1 ILE A 71 0.720 -2.367 -3.875 1.00 0.00 C ATOM 727 CG2 ILE A 71 1.490 0.029 -3.551 1.00 0.00 C ATOM 728 CD1 ILE A 71 1.642 -3.535 -3.518 1.00 0.00 C ATOM 0 H ILE A 71 1.667 -2.774 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.010 -0.516 -5.745 1.00 0.00 H new ATOM 0 HB ILE A 71 2.554 -1.522 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.185 -2.036 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.030 -2.698 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.847 -0.247 -2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.134 0.804 -3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.470 0.406 -3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.051 -4.351 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.157 -3.879 -4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.376 -3.207 -2.781 1.00 0.00 H new ATOM 739 N PHE A 72 2.956 -0.036 -7.051 1.00 0.00 N ATOM 740 CA PHE A 72 3.794 0.954 -7.705 1.00 0.00 C ATOM 741 C PHE A 72 3.098 1.529 -8.942 1.00 0.00 C ATOM 742 O PHE A 72 3.044 2.745 -9.117 1.00 0.00 O ATOM 743 CB PHE A 72 5.074 0.239 -8.142 1.00 0.00 C ATOM 744 CG PHE A 72 6.344 1.073 -7.965 1.00 0.00 C ATOM 745 CD1 PHE A 72 6.315 2.413 -8.197 1.00 0.00 C ATOM 746 CD2 PHE A 72 7.502 0.475 -7.577 1.00 0.00 C ATOM 747 CE1 PHE A 72 7.494 3.187 -8.033 1.00 0.00 C ATOM 748 CE2 PHE A 72 8.681 1.250 -7.414 1.00 0.00 C ATOM 749 CZ PHE A 72 8.652 2.589 -7.644 1.00 0.00 C ATOM 0 H PHE A 72 3.342 -0.980 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 72 4.001 1.777 -7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.175 -0.684 -7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.980 -0.043 -9.191 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.396 2.888 -8.506 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.525 -0.589 -7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.471 4.251 -8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.601 0.775 -7.107 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.548 3.178 -7.518 1.00 0.00 H new ATOM 758 N ASN A 73 2.585 0.628 -9.765 1.00 0.00 N ATOM 759 CA ASN A 73 1.896 1.031 -10.980 1.00 0.00 C ATOM 760 C ASN A 73 0.639 1.820 -10.609 1.00 0.00 C ATOM 761 O ASN A 73 0.300 2.800 -11.270 1.00 0.00 O ATOM 762 CB ASN A 73 1.465 -0.188 -11.798 1.00 0.00 C ATOM 763 CG ASN A 73 2.623 -0.716 -12.646 1.00 0.00 C ATOM 764 OD1 ASN A 73 2.646 -0.590 -13.861 1.00 0.00 O ATOM 765 ND2 ASN A 73 3.581 -1.313 -11.943 1.00 0.00 N ATOM 0 H ASN A 73 2.632 -0.380 -9.615 1.00 0.00 H new ATOM 0 HA ASN A 73 2.581 1.638 -11.572 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.112 -0.973 -11.129 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.629 0.080 -12.444 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.397 -1.699 -12.418 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.500 -1.385 -10.929 1.00 0.00 H new ATOM 771 N GLN A 74 -0.018 1.364 -9.553 1.00 0.00 N ATOM 772 CA GLN A 74 -1.230 2.014 -9.086 1.00 0.00 C ATOM 773 C GLN A 74 -0.890 3.337 -8.396 1.00 0.00 C ATOM 774 O GLN A 74 -1.616 4.320 -8.540 1.00 0.00 O ATOM 775 CB GLN A 74 -2.022 1.096 -8.153 1.00 0.00 C ATOM 776 CG GLN A 74 -2.852 0.088 -8.951 1.00 0.00 C ATOM 777 CD GLN A 74 -2.075 -0.423 -10.165 1.00 0.00 C ATOM 778 OE1 GLN A 74 -1.704 0.323 -11.057 1.00 0.00 O ATOM 779 NE2 GLN A 74 -1.850 -1.734 -10.151 1.00 0.00 N ATOM 0 H GLN A 74 0.267 0.551 -9.007 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.860 2.228 -9.950 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.337 0.566 -7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.678 1.693 -7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.126 -0.751 -8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.781 0.555 -9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.188 -2.301 -9.374 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.339 -2.172 -10.918 1.00 0.00 H new ATOM 786 N LEU A 75 0.212 3.318 -7.661 1.00 0.00 N ATOM 787 CA LEU A 75 0.657 4.504 -6.948 1.00 0.00 C ATOM 788 C LEU A 75 1.358 5.448 -7.926 1.00 0.00 C ATOM 789 O LEU A 75 1.797 6.531 -7.541 1.00 0.00 O ATOM 790 CB LEU A 75 1.517 4.114 -5.746 1.00 0.00 C ATOM 791 CG LEU A 75 0.773 3.507 -4.555 1.00 0.00 C ATOM 792 CD1 LEU A 75 1.673 3.438 -3.321 1.00 0.00 C ATOM 793 CD2 LEU A 75 -0.526 4.267 -4.276 1.00 0.00 C ATOM 0 H LEU A 75 0.810 2.500 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.196 5.045 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.270 3.400 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.049 5.001 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 75 0.500 2.483 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.118 3.003 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.544 2.820 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.000 4.443 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.036 3.816 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.297 5.309 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.171 4.219 -5.153 1.00 0.00 H new ATOM 804 N GLU A 76 1.440 5.005 -9.172 1.00 0.00 N ATOM 805 CA GLU A 76 2.080 5.798 -10.207 1.00 0.00 C ATOM 806 C GLU A 76 1.074 6.764 -10.835 1.00 0.00 C ATOM 807 O GLU A 76 1.435 7.581 -11.680 1.00 0.00 O ATOM 808 CB GLU A 76 2.715 4.901 -11.271 1.00 0.00 C ATOM 809 CG GLU A 76 4.147 4.521 -10.886 1.00 0.00 C ATOM 810 CD GLU A 76 5.148 5.037 -11.922 1.00 0.00 C ATOM 811 OE1 GLU A 76 4.990 4.656 -13.102 1.00 0.00 O ATOM 812 OE2 GLU A 76 6.047 5.801 -11.510 1.00 0.00 O ATOM 0 H GLU A 76 1.074 4.107 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 76 2.877 6.382 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.116 3.998 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.718 5.416 -12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.386 4.935 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.230 3.437 -10.803 1.00 0.00 H new ATOM 817 N VAL A 77 -0.171 6.638 -10.398 1.00 0.00 N ATOM 818 CA VAL A 77 -1.233 7.489 -10.905 1.00 0.00 C ATOM 819 C VAL A 77 -1.529 8.591 -9.886 1.00 0.00 C ATOM 820 O VAL A 77 -0.803 8.747 -8.906 1.00 0.00 O ATOM 821 CB VAL A 77 -2.462 6.646 -11.248 1.00 0.00 C ATOM 822 CG1 VAL A 77 -2.070 5.410 -12.060 1.00 0.00 C ATOM 823 CG2 VAL A 77 -3.226 6.250 -9.983 1.00 0.00 C ATOM 0 H VAL A 77 -0.467 5.958 -9.698 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.922 7.976 -11.829 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.124 7.255 -11.863 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.962 4.828 -12.291 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.590 5.721 -12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.378 4.799 -11.481 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.095 5.651 -10.255 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.574 5.668 -9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.554 7.148 -9.460 1.00 0.00 H new ATOM 833 N LYS A 78 -2.598 9.328 -10.152 1.00 0.00 N ATOM 834 CA LYS A 78 -3.000 10.410 -9.270 1.00 0.00 C ATOM 835 C LYS A 78 -4.168 9.946 -8.398 1.00 0.00 C ATOM 836 O LYS A 78 -4.451 10.545 -7.362 1.00 0.00 O ATOM 837 CB LYS A 78 -3.299 11.676 -10.076 1.00 0.00 C ATOM 838 CG LYS A 78 -2.081 12.103 -10.897 1.00 0.00 C ATOM 839 CD LYS A 78 -2.123 11.494 -12.300 1.00 0.00 C ATOM 840 CE LYS A 78 -0.719 11.398 -12.900 1.00 0.00 C ATOM 841 NZ LYS A 78 -0.748 11.734 -14.342 1.00 0.00 N ATOM 0 H LYS A 78 -3.198 9.197 -10.966 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.185 10.674 -8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.145 11.498 -10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.588 12.482 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.050 13.190 -10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.168 11.791 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.572 10.502 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.757 12.102 -12.945 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.046 12.076 -12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.327 10.390 -12.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.213 11.664 -14.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.375 11.070 -14.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.103 12.704 -14.465 1.00 0.00 H new ATOM 851 N ASN A 79 -4.816 8.882 -8.851 1.00 0.00 N ATOM 852 CA ASN A 79 -5.948 8.330 -8.126 1.00 0.00 C ATOM 853 C ASN A 79 -5.925 6.805 -8.239 1.00 0.00 C ATOM 854 O ASN A 79 -6.519 6.237 -9.155 1.00 0.00 O ATOM 855 CB ASN A 79 -7.271 8.828 -8.709 1.00 0.00 C ATOM 856 CG ASN A 79 -8.021 9.702 -7.701 1.00 0.00 C ATOM 857 OD1 ASN A 79 -9.148 9.429 -7.321 1.00 0.00 O ATOM 858 ND2 ASN A 79 -7.334 10.765 -7.290 1.00 0.00 N ATOM 0 H ASN A 79 -4.578 8.388 -9.711 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.870 8.648 -7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.080 9.398 -9.618 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.892 7.977 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.747 11.410 -6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.394 10.935 -7.648 1.00 0.00 H new ATOM 864 N PRO A 80 -5.216 6.167 -7.269 1.00 0.00 N ATOM 865 CA PRO A 80 -5.109 4.718 -7.252 1.00 0.00 C ATOM 866 C PRO A 80 -6.412 4.078 -6.767 1.00 0.00 C ATOM 867 O PRO A 80 -7.178 4.700 -6.035 1.00 0.00 O ATOM 868 CB PRO A 80 -3.928 4.423 -6.341 1.00 0.00 C ATOM 869 CG PRO A 80 -3.710 5.682 -5.519 1.00 0.00 C ATOM 870 CD PRO A 80 -4.500 6.806 -6.169 1.00 0.00 C ATOM 0 HA PRO A 80 -4.946 4.296 -8.244 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.135 3.568 -5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.039 4.177 -6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.039 5.529 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.650 5.933 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.190 7.266 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.841 7.595 -6.531 1.00 0.00 H new ATOM 875 N ASP A 81 -6.622 2.842 -7.198 1.00 0.00 N ATOM 876 CA ASP A 81 -7.819 2.111 -6.818 1.00 0.00 C ATOM 877 C ASP A 81 -7.472 1.117 -5.708 1.00 0.00 C ATOM 878 O ASP A 81 -6.999 0.015 -5.981 1.00 0.00 O ATOM 879 CB ASP A 81 -8.380 1.321 -8.001 1.00 0.00 C ATOM 880 CG ASP A 81 -9.665 0.544 -7.709 1.00 0.00 C ATOM 881 OD1 ASP A 81 -10.276 0.833 -6.658 1.00 0.00 O ATOM 882 OD2 ASP A 81 -10.007 -0.323 -8.543 1.00 0.00 O ATOM 0 H ASP A 81 -5.984 2.329 -7.806 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.563 2.833 -6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.570 2.012 -8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.619 0.620 -8.344 1.00 0.00 H new ATOM 886 N SER A 82 -7.721 1.542 -4.477 1.00 0.00 N ATOM 887 CA SER A 82 -7.442 0.703 -3.324 1.00 0.00 C ATOM 888 C SER A 82 -8.083 -0.672 -3.511 1.00 0.00 C ATOM 889 O SER A 82 -7.566 -1.675 -3.018 1.00 0.00 O ATOM 890 CB SER A 82 -7.946 1.354 -2.035 1.00 0.00 C ATOM 891 OG SER A 82 -9.341 1.637 -2.091 1.00 0.00 O ATOM 0 H SER A 82 -8.113 2.457 -4.254 1.00 0.00 H new ATOM 0 HA SER A 82 -6.362 0.584 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.744 0.693 -1.192 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.395 2.278 -1.856 1.00 0.00 H new ATOM 0 HG SER A 82 -9.555 2.355 -1.459 1.00 0.00 H new ATOM 896 N LYS A 83 -9.200 -0.678 -4.223 1.00 0.00 N ATOM 897 CA LYS A 83 -9.919 -1.915 -4.480 1.00 0.00 C ATOM 898 C LYS A 83 -8.998 -2.890 -5.218 1.00 0.00 C ATOM 899 O LYS A 83 -8.885 -4.053 -4.834 1.00 0.00 O ATOM 900 CB LYS A 83 -11.229 -1.630 -5.217 1.00 0.00 C ATOM 901 CG LYS A 83 -12.085 -0.625 -4.444 1.00 0.00 C ATOM 902 CD LYS A 83 -12.492 -1.186 -3.079 1.00 0.00 C ATOM 903 CE LYS A 83 -13.611 -0.350 -2.454 1.00 0.00 C ATOM 904 NZ LYS A 83 -14.875 -0.536 -3.200 1.00 0.00 N ATOM 0 H LYS A 83 -9.625 0.155 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.205 -2.392 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.013 -1.240 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.784 -2.558 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.529 0.303 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.977 -0.381 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.823 -2.218 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.628 -1.198 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.751 -0.639 -1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.331 0.704 -2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.678 -0.272 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.869 0.066 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.968 -1.532 -3.483 1.00 0.00 H new ATOM 914 N MET A 84 -8.364 -2.380 -6.264 1.00 0.00 N ATOM 915 CA MET A 84 -7.457 -3.191 -7.057 1.00 0.00 C ATOM 916 C MET A 84 -6.206 -3.556 -6.258 1.00 0.00 C ATOM 917 O MET A 84 -5.650 -4.640 -6.430 1.00 0.00 O ATOM 918 CB MET A 84 -7.052 -2.420 -8.316 1.00 0.00 C ATOM 919 CG MET A 84 -7.783 -2.959 -9.548 1.00 0.00 C ATOM 920 SD MET A 84 -6.781 -4.195 -10.359 1.00 0.00 S ATOM 921 CE MET A 84 -7.011 -5.565 -9.238 1.00 0.00 C ATOM 0 H MET A 84 -8.461 -1.415 -6.580 1.00 0.00 H new ATOM 0 HA MET A 84 -7.970 -4.112 -7.333 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.280 -1.362 -8.188 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.975 -2.499 -8.464 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.740 -3.390 -9.254 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.999 -2.144 -10.238 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.665 -6.484 -9.711 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.440 -5.389 -8.326 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.069 -5.660 -8.991 1.00 0.00 H new ATOM 929 N MET A 85 -5.799 -2.631 -5.401 1.00 0.00 N ATOM 930 CA MET A 85 -4.622 -2.843 -4.574 1.00 0.00 C ATOM 931 C MET A 85 -4.820 -4.036 -3.636 1.00 0.00 C ATOM 932 O MET A 85 -3.993 -4.945 -3.602 1.00 0.00 O ATOM 933 CB MET A 85 -4.345 -1.584 -3.749 1.00 0.00 C ATOM 934 CG MET A 85 -2.883 -1.152 -3.884 1.00 0.00 C ATOM 935 SD MET A 85 -2.598 -0.460 -5.504 1.00 0.00 S ATOM 936 CE MET A 85 -2.947 1.259 -5.173 1.00 0.00 C ATOM 0 H MET A 85 -6.263 -1.733 -5.261 1.00 0.00 H new ATOM 0 HA MET A 85 -3.775 -3.054 -5.226 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.999 -0.777 -4.080 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.577 -1.773 -2.701 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.640 -0.416 -3.117 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.226 -2.007 -3.724 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.827 1.567 -5.737 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.133 1.394 -4.108 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.094 1.868 -5.472 1.00 0.00 H new ATOM 944 N GLN A 86 -5.918 -3.991 -2.897 1.00 0.00 N ATOM 945 CA GLN A 86 -6.234 -5.057 -1.961 1.00 0.00 C ATOM 946 C GLN A 86 -6.593 -6.338 -2.717 1.00 0.00 C ATOM 947 O GLN A 86 -6.297 -7.439 -2.254 1.00 0.00 O ATOM 948 CB GLN A 86 -7.366 -4.641 -1.020 1.00 0.00 C ATOM 949 CG GLN A 86 -6.975 -4.872 0.441 1.00 0.00 C ATOM 950 CD GLN A 86 -8.035 -5.703 1.168 1.00 0.00 C ATOM 951 OE1 GLN A 86 -8.770 -5.217 2.012 1.00 0.00 O ATOM 952 NE2 GLN A 86 -8.074 -6.978 0.792 1.00 0.00 N ATOM 0 H GLN A 86 -6.600 -3.233 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.352 -5.253 -1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.605 -3.589 -1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.266 -5.210 -1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.013 -5.382 0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.852 -3.913 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.429 -7.319 0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.749 -7.614 1.216 1.00 0.00 H new ATOM 959 N ILE A 87 -7.223 -6.153 -3.867 1.00 0.00 N ATOM 960 CA ILE A 87 -7.625 -7.280 -4.691 1.00 0.00 C ATOM 961 C ILE A 87 -6.378 -7.961 -5.258 1.00 0.00 C ATOM 962 O ILE A 87 -6.309 -9.188 -5.318 1.00 0.00 O ATOM 963 CB ILE A 87 -8.621 -6.833 -5.762 1.00 0.00 C ATOM 964 CG1 ILE A 87 -10.043 -6.783 -5.201 1.00 0.00 C ATOM 965 CG2 ILE A 87 -8.525 -7.720 -7.005 1.00 0.00 C ATOM 966 CD1 ILE A 87 -10.867 -5.693 -5.891 1.00 0.00 C ATOM 0 H ILE A 87 -7.465 -5.238 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.150 -8.023 -4.090 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.361 -5.820 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.526 -7.750 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.008 -6.593 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.244 -7.380 -7.751 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.518 -7.660 -7.418 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.745 -8.752 -6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.874 -5.679 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.394 -4.724 -5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.920 -5.899 -6.960 1.00 0.00 H new ATOM 977 N ASN A 88 -5.422 -7.136 -5.660 1.00 0.00 N ATOM 978 CA ASN A 88 -4.181 -7.645 -6.219 1.00 0.00 C ATOM 979 C ASN A 88 -3.324 -8.233 -5.097 1.00 0.00 C ATOM 980 O ASN A 88 -2.712 -9.286 -5.266 1.00 0.00 O ATOM 981 CB ASN A 88 -3.380 -6.526 -6.888 1.00 0.00 C ATOM 982 CG ASN A 88 -3.824 -6.326 -8.339 1.00 0.00 C ATOM 983 OD1 ASN A 88 -4.135 -7.263 -9.055 1.00 0.00 O ATOM 984 ND2 ASN A 88 -3.835 -5.055 -8.731 1.00 0.00 N ATOM 0 H ASN A 88 -5.482 -6.119 -5.610 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.431 -8.404 -6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.512 -5.598 -6.332 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.317 -6.767 -6.859 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.116 -4.817 -9.682 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.563 -4.318 -8.080 1.00 0.00 H new ATOM 990 N LEU A 89 -3.307 -7.527 -3.976 1.00 0.00 N ATOM 991 CA LEU A 89 -2.535 -7.967 -2.826 1.00 0.00 C ATOM 992 C LEU A 89 -3.054 -9.328 -2.359 1.00 0.00 C ATOM 993 O LEU A 89 -2.269 -10.236 -2.087 1.00 0.00 O ATOM 994 CB LEU A 89 -2.546 -6.896 -1.733 1.00 0.00 C ATOM 995 CG LEU A 89 -1.593 -5.717 -1.939 1.00 0.00 C ATOM 996 CD1 LEU A 89 -1.430 -4.912 -0.649 1.00 0.00 C ATOM 997 CD2 LEU A 89 -0.248 -6.189 -2.495 1.00 0.00 C ATOM 0 H LEU A 89 -3.815 -6.653 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.488 -8.102 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.560 -6.506 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.303 -7.372 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.031 -5.050 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.748 -4.080 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.400 -4.526 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.026 -5.555 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.410 -5.331 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.209 -6.889 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.404 -6.683 -3.454 1.00 0.00 H new ATOM 1008 N THR A 90 -4.373 -9.428 -2.280 1.00 0.00 N ATOM 1009 CA THR A 90 -5.005 -10.663 -1.851 1.00 0.00 C ATOM 1010 C THR A 90 -4.603 -11.817 -2.771 1.00 0.00 C ATOM 1011 O THR A 90 -4.663 -12.980 -2.378 1.00 0.00 O ATOM 1012 CB THR A 90 -6.516 -10.427 -1.798 1.00 0.00 C ATOM 1013 OG1 THR A 90 -6.665 -9.330 -0.901 1.00 0.00 O ATOM 1014 CG2 THR A 90 -7.265 -11.573 -1.113 1.00 0.00 C ATOM 0 H THR A 90 -5.021 -8.673 -2.506 1.00 0.00 H new ATOM 0 HA THR A 90 -4.671 -10.952 -0.855 1.00 0.00 H new ATOM 0 HB THR A 90 -6.898 -10.298 -2.811 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.891 -8.522 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.333 -11.355 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.090 -12.500 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.907 -11.681 -0.089 1.00 0.00 H new ATOM 1022 N GLY A 91 -4.201 -11.454 -3.981 1.00 0.00 N ATOM 1023 CA GLY A 91 -3.788 -12.444 -4.961 1.00 0.00 C ATOM 1024 C GLY A 91 -2.469 -13.103 -4.553 1.00 0.00 C ATOM 1025 O GLY A 91 -2.158 -14.206 -4.997 1.00 0.00 O ATOM 0 H GLY A 91 -4.153 -10.488 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.562 -13.205 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.676 -11.970 -5.936 1.00 0.00 H new ATOM 1029 N PHE A 92 -1.727 -12.396 -3.712 1.00 0.00 N ATOM 1030 CA PHE A 92 -0.449 -12.898 -3.240 1.00 0.00 C ATOM 1031 C PHE A 92 -0.463 -13.094 -1.722 1.00 0.00 C ATOM 1032 O PHE A 92 -0.006 -14.120 -1.220 1.00 0.00 O ATOM 1033 CB PHE A 92 0.604 -11.846 -3.595 1.00 0.00 C ATOM 1034 CG PHE A 92 1.642 -12.325 -4.612 1.00 0.00 C ATOM 1035 CD1 PHE A 92 1.240 -12.862 -5.794 1.00 0.00 C ATOM 1036 CD2 PHE A 92 2.969 -12.212 -4.333 1.00 0.00 C ATOM 1037 CE1 PHE A 92 2.204 -13.306 -6.739 1.00 0.00 C ATOM 1038 CE2 PHE A 92 3.933 -12.657 -5.276 1.00 0.00 C ATOM 1039 CZ PHE A 92 3.530 -13.194 -6.459 1.00 0.00 C ATOM 0 H PHE A 92 -1.987 -11.480 -3.346 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.235 -13.861 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.102 -10.963 -3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.118 -11.539 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.187 -12.951 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.289 -11.784 -3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.884 -13.732 -7.678 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.986 -12.569 -5.054 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.263 -13.532 -7.176 1.00 0.00 H new ATOM 1048 N LEU A 93 -0.992 -12.093 -1.033 1.00 0.00 N ATOM 1049 CA LEU A 93 -1.073 -12.143 0.416 1.00 0.00 C ATOM 1050 C LEU A 93 -2.002 -13.285 0.833 1.00 0.00 C ATOM 1051 O LEU A 93 -2.353 -14.134 0.015 1.00 0.00 O ATOM 1052 CB LEU A 93 -1.483 -10.780 0.977 1.00 0.00 C ATOM 1053 CG LEU A 93 -0.701 -9.575 0.451 1.00 0.00 C ATOM 1054 CD1 LEU A 93 -0.903 -8.355 1.352 1.00 0.00 C ATOM 1055 CD2 LEU A 93 0.779 -9.918 0.273 1.00 0.00 C ATOM 0 H LEU A 93 -1.369 -11.243 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.094 -12.357 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.540 -10.624 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.379 -10.810 2.062 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.092 -9.316 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.336 -7.512 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.962 -8.098 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.555 -8.585 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.312 -9.044 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.201 -10.217 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.880 -10.737 -0.439 1.00 0.00 H new ATOM 1066 N ASN A 94 -2.375 -13.268 2.105 1.00 0.00 N ATOM 1067 CA ASN A 94 -3.257 -14.292 2.639 1.00 0.00 C ATOM 1068 C ASN A 94 -4.704 -13.801 2.567 1.00 0.00 C ATOM 1069 O ASN A 94 -5.636 -14.571 2.791 1.00 0.00 O ATOM 1070 CB ASN A 94 -2.931 -14.589 4.104 1.00 0.00 C ATOM 1071 CG ASN A 94 -1.634 -15.392 4.226 1.00 0.00 C ATOM 1072 OD1 ASN A 94 -1.625 -16.612 4.211 1.00 0.00 O ATOM 1073 ND2 ASN A 94 -0.542 -14.642 4.345 1.00 0.00 N ATOM 0 H ASN A 94 -2.083 -12.562 2.780 1.00 0.00 H new ATOM 0 HA ASN A 94 -3.120 -15.197 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.837 -13.654 4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.751 -15.146 4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.373 -15.084 4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.620 -13.625 4.350 1.00 0.00 H new ATOM 1079 N GLY A 95 -4.845 -12.521 2.254 1.00 0.00 N ATOM 1080 CA GLY A 95 -6.164 -11.918 2.150 1.00 0.00 C ATOM 1081 C GLY A 95 -6.424 -10.965 3.318 1.00 0.00 C ATOM 1082 O GLY A 95 -6.895 -9.846 3.117 1.00 0.00 O ATOM 0 H GLY A 95 -4.069 -11.885 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.247 -11.376 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.925 -12.699 2.136 1.00 0.00 H new ATOM 1086 N LYS A 96 -6.106 -11.442 4.513 1.00 0.00 N ATOM 1087 CA LYS A 96 -6.300 -10.646 5.712 1.00 0.00 C ATOM 1088 C LYS A 96 -5.193 -9.594 5.805 1.00 0.00 C ATOM 1089 O LYS A 96 -5.431 -8.477 6.265 1.00 0.00 O ATOM 1090 CB LYS A 96 -6.395 -11.548 6.944 1.00 0.00 C ATOM 1091 CG LYS A 96 -7.653 -11.236 7.757 1.00 0.00 C ATOM 1092 CD LYS A 96 -8.157 -12.482 8.488 1.00 0.00 C ATOM 1093 CE LYS A 96 -9.399 -13.056 7.802 1.00 0.00 C ATOM 1094 NZ LYS A 96 -10.410 -13.450 8.808 1.00 0.00 N ATOM 0 H LYS A 96 -5.715 -12.370 4.676 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.248 -10.109 5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.408 -12.593 6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.512 -11.412 7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.437 -10.449 8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.433 -10.857 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.370 -13.236 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.392 -12.231 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.822 -12.315 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.122 -13.920 7.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.246 -13.837 8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.008 -14.172 9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.687 -12.617 9.366 1.00 0.00 H new ATOM 1104 N ASN A 97 -4.008 -9.986 5.361 1.00 0.00 N ATOM 1105 CA ASN A 97 -2.864 -9.091 5.389 1.00 0.00 C ATOM 1106 C ASN A 97 -3.088 -7.954 4.389 1.00 0.00 C ATOM 1107 O ASN A 97 -2.615 -6.838 4.596 1.00 0.00 O ATOM 1108 CB ASN A 97 -1.581 -9.824 4.992 1.00 0.00 C ATOM 1109 CG ASN A 97 -0.768 -10.213 6.229 1.00 0.00 C ATOM 1110 OD1 ASN A 97 -0.395 -11.358 6.424 1.00 0.00 O ATOM 1111 ND2 ASN A 97 -0.515 -9.199 7.052 1.00 0.00 N ATOM 0 H ASN A 97 -3.815 -10.912 4.980 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.760 -8.707 6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.830 -10.718 4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.980 -9.187 4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.021 -9.356 7.906 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.857 -8.264 6.829 1.00 0.00 H new ATOM 1117 N ALA A 98 -3.808 -8.279 3.325 1.00 0.00 N ATOM 1118 CA ALA A 98 -4.100 -7.299 2.292 1.00 0.00 C ATOM 1119 C ALA A 98 -4.966 -6.185 2.882 1.00 0.00 C ATOM 1120 O ALA A 98 -4.754 -5.008 2.591 1.00 0.00 O ATOM 1121 CB ALA A 98 -4.772 -7.993 1.105 1.00 0.00 C ATOM 0 H ALA A 98 -4.198 -9.206 3.156 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.181 -6.843 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.991 -7.258 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.104 -8.755 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.700 -8.460 1.434 1.00 0.00 H new ATOM 1127 N ARG A 99 -5.924 -6.594 3.700 1.00 0.00 N ATOM 1128 CA ARG A 99 -6.825 -5.644 4.334 1.00 0.00 C ATOM 1129 C ARG A 99 -6.066 -4.797 5.357 1.00 0.00 C ATOM 1130 O ARG A 99 -6.298 -3.594 5.465 1.00 0.00 O ATOM 1131 CB ARG A 99 -7.980 -6.364 5.034 1.00 0.00 C ATOM 1132 CG ARG A 99 -9.327 -5.930 4.452 1.00 0.00 C ATOM 1133 CD ARG A 99 -10.446 -6.088 5.484 1.00 0.00 C ATOM 1134 NE ARG A 99 -10.281 -5.092 6.566 1.00 0.00 N ATOM 1135 CZ ARG A 99 -10.794 -5.227 7.796 1.00 0.00 C ATOM 1136 NH1 ARG A 99 -11.508 -6.317 8.109 1.00 0.00 N ATOM 1137 NH2 ARG A 99 -10.594 -4.272 8.714 1.00 0.00 N ATOM 0 H ARG A 99 -6.097 -7.570 3.939 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.233 -5.000 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.862 -7.442 4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.954 -6.148 6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.270 -4.891 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.555 -6.527 3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.416 -5.958 5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.429 -7.095 5.900 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.743 -4.250 6.362 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.661 -7.044 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.898 -6.419 9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.051 -3.442 8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.985 -4.375 9.651 1.00 0.00 H new ATOM 1148 N GLU A 100 -5.176 -5.458 6.082 1.00 0.00 N ATOM 1149 CA GLU A 100 -4.383 -4.779 7.093 1.00 0.00 C ATOM 1150 C GLU A 100 -3.317 -3.902 6.432 1.00 0.00 C ATOM 1151 O GLU A 100 -3.019 -2.811 6.914 1.00 0.00 O ATOM 1152 CB GLU A 100 -3.745 -5.784 8.055 1.00 0.00 C ATOM 1153 CG GLU A 100 -3.973 -5.370 9.511 1.00 0.00 C ATOM 1154 CD GLU A 100 -3.563 -6.489 10.469 1.00 0.00 C ATOM 1155 OE1 GLU A 100 -3.951 -7.645 10.192 1.00 0.00 O ATOM 1156 OE2 GLU A 100 -2.871 -6.165 11.459 1.00 0.00 O ATOM 0 H GLU A 100 -4.986 -6.456 5.990 1.00 0.00 H new ATOM 0 HA GLU A 100 -5.045 -4.137 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.167 -6.774 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.676 -5.855 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.399 -4.470 9.731 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.024 -5.123 9.663 1.00 0.00 H new ATOM 1161 N PHE A 101 -2.774 -4.412 5.336 1.00 0.00 N ATOM 1162 CA PHE A 101 -1.749 -3.688 4.604 1.00 0.00 C ATOM 1163 C PHE A 101 -2.306 -2.387 4.022 1.00 0.00 C ATOM 1164 O PHE A 101 -1.702 -1.326 4.174 1.00 0.00 O ATOM 1165 CB PHE A 101 -1.295 -4.594 3.456 1.00 0.00 C ATOM 1166 CG PHE A 101 -0.410 -3.893 2.423 1.00 0.00 C ATOM 1167 CD1 PHE A 101 -0.978 -3.168 1.423 1.00 0.00 C ATOM 1168 CD2 PHE A 101 0.943 -3.995 2.505 1.00 0.00 C ATOM 1169 CE1 PHE A 101 -0.157 -2.518 0.463 1.00 0.00 C ATOM 1170 CE2 PHE A 101 1.764 -3.346 1.546 1.00 0.00 C ATOM 1171 CZ PHE A 101 1.196 -2.621 0.546 1.00 0.00 C ATOM 0 H PHE A 101 -3.024 -5.317 4.938 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.926 -3.433 5.271 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.750 -5.443 3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.175 -4.995 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.053 -3.086 1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.394 -4.570 3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.607 -1.942 -0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.839 -3.428 1.611 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.820 -2.126 -0.183 1.00 0.00 H new ATOM 1180 N MET A 102 -3.450 -2.512 3.366 1.00 0.00 N ATOM 1181 CA MET A 102 -4.095 -1.359 2.760 1.00 0.00 C ATOM 1182 C MET A 102 -4.571 -0.374 3.828 1.00 0.00 C ATOM 1183 O MET A 102 -4.573 0.836 3.605 1.00 0.00 O ATOM 1184 CB MET A 102 -5.291 -1.824 1.925 1.00 0.00 C ATOM 1185 CG MET A 102 -4.845 -2.274 0.533 1.00 0.00 C ATOM 1186 SD MET A 102 -4.050 -0.924 -0.321 1.00 0.00 S ATOM 1187 CE MET A 102 -5.480 0.046 -0.767 1.00 0.00 C ATOM 0 H MET A 102 -3.947 -3.394 3.241 1.00 0.00 H new ATOM 0 HA MET A 102 -3.370 -0.853 2.123 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.796 -2.646 2.433 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.014 -1.013 1.835 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.158 -3.116 0.617 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.706 -2.620 -0.039 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.205 0.765 -1.538 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.262 -0.612 -1.146 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.847 0.578 0.111 1.00 0.00 H new ATOM 1195 N GLY A 103 -4.962 -0.927 4.967 1.00 0.00 N ATOM 1196 CA GLY A 103 -5.439 -0.110 6.071 1.00 0.00 C ATOM 1197 C GLY A 103 -4.271 0.508 6.840 1.00 0.00 C ATOM 1198 O GLY A 103 -4.454 1.035 7.937 1.00 0.00 O ATOM 0 H GLY A 103 -4.958 -1.931 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.087 0.680 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.041 -0.719 6.745 1.00 0.00 H new ATOM 1202 N GLU A 104 -3.094 0.420 6.237 1.00 0.00 N ATOM 1203 CA GLU A 104 -1.895 0.964 6.853 1.00 0.00 C ATOM 1204 C GLU A 104 -1.157 1.871 5.866 1.00 0.00 C ATOM 1205 O GLU A 104 -0.482 2.817 6.271 1.00 0.00 O ATOM 1206 CB GLU A 104 -0.982 -0.155 7.357 1.00 0.00 C ATOM 1207 CG GLU A 104 -1.375 -0.587 8.772 1.00 0.00 C ATOM 1208 CD GLU A 104 -0.145 -0.681 9.677 1.00 0.00 C ATOM 1209 OE1 GLU A 104 0.633 0.297 9.681 1.00 0.00 O ATOM 1210 OE2 GLU A 104 -0.011 -1.729 10.344 1.00 0.00 O ATOM 0 H GLU A 104 -2.945 -0.020 5.329 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.191 1.562 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.041 -1.009 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.054 0.185 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.085 0.127 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.878 -1.553 8.735 1.00 0.00 H new ATOM 1215 N LEU A 105 -1.308 1.551 4.589 1.00 0.00 N ATOM 1216 CA LEU A 105 -0.664 2.325 3.542 1.00 0.00 C ATOM 1217 C LEU A 105 -1.660 3.344 2.982 1.00 0.00 C ATOM 1218 O LEU A 105 -1.280 4.462 2.637 1.00 0.00 O ATOM 1219 CB LEU A 105 -0.071 1.398 2.479 1.00 0.00 C ATOM 1220 CG LEU A 105 -0.447 1.712 1.030 1.00 0.00 C ATOM 1221 CD1 LEU A 105 -1.917 1.384 0.761 1.00 0.00 C ATOM 1222 CD2 LEU A 105 -0.108 3.162 0.677 1.00 0.00 C ATOM 0 H LEU A 105 -1.867 0.766 4.256 1.00 0.00 H new ATOM 0 HA LEU A 105 0.177 2.888 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.015 1.426 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.382 0.377 2.701 1.00 0.00 H new ATOM 0 HG LEU A 105 0.149 1.075 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.158 1.617 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.093 0.324 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.549 1.977 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.385 3.359 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.659 3.835 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.962 3.327 0.804 1.00 0.00 H new ATOM 1233 N TRP A 106 -2.913 2.921 2.910 1.00 0.00 N ATOM 1234 CA TRP A 106 -3.965 3.783 2.398 1.00 0.00 C ATOM 1235 C TRP A 106 -4.054 5.011 3.307 1.00 0.00 C ATOM 1236 O TRP A 106 -4.189 6.135 2.827 1.00 0.00 O ATOM 1237 CB TRP A 106 -5.288 3.025 2.285 1.00 0.00 C ATOM 1238 CG TRP A 106 -6.300 3.676 1.338 1.00 0.00 C ATOM 1239 CD1 TRP A 106 -7.493 4.206 1.643 1.00 0.00 C ATOM 1240 CD2 TRP A 106 -6.158 3.844 -0.088 1.00 0.00 C ATOM 1241 NE1 TRP A 106 -8.126 4.703 0.523 1.00 0.00 N ATOM 1242 CE2 TRP A 106 -7.289 4.476 -0.563 1.00 0.00 C ATOM 1243 CE3 TRP A 106 -5.108 3.477 -0.948 1.00 0.00 C ATOM 1244 CZ2 TRP A 106 -7.480 4.794 -1.913 1.00 0.00 C ATOM 1245 CZ3 TRP A 106 -5.313 3.801 -2.293 1.00 0.00 C ATOM 1246 CH2 TRP A 106 -6.447 4.437 -2.789 1.00 0.00 C ATOM 0 H TRP A 106 -3.224 1.993 3.197 1.00 0.00 H new ATOM 0 HA TRP A 106 -3.734 4.115 1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.085 2.010 1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.734 2.943 3.276 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.906 4.240 2.640 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.040 5.154 0.497 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.213 2.984 -0.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.375 5.288 -2.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -4.536 3.539 -2.996 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.530 4.654 -3.844 1.00 0.00 H new ATOM 1256 N PRO A 107 -3.974 4.747 4.639 1.00 0.00 N ATOM 1257 CA PRO A 107 -4.045 5.817 5.619 1.00 0.00 C ATOM 1258 C PRO A 107 -2.737 6.608 5.662 1.00 0.00 C ATOM 1259 O PRO A 107 -2.733 7.791 6.002 1.00 0.00 O ATOM 1260 CB PRO A 107 -4.363 5.124 6.934 1.00 0.00 C ATOM 1261 CG PRO A 107 -4.001 3.662 6.734 1.00 0.00 C ATOM 1262 CD PRO A 107 -3.814 3.427 5.243 1.00 0.00 C ATOM 0 HA PRO A 107 -4.808 6.558 5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.791 5.559 7.753 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.417 5.234 7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.088 3.417 7.276 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.787 3.017 7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.831 3.009 5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.551 2.723 4.857 1.00 0.00 H new ATOM 1267 N LEU A 108 -1.657 5.925 5.312 1.00 0.00 N ATOM 1268 CA LEU A 108 -0.345 6.550 5.307 1.00 0.00 C ATOM 1269 C LEU A 108 -0.362 7.753 4.362 1.00 0.00 C ATOM 1270 O LEU A 108 0.182 8.808 4.684 1.00 0.00 O ATOM 1271 CB LEU A 108 0.738 5.522 4.974 1.00 0.00 C ATOM 1272 CG LEU A 108 1.871 5.387 5.992 1.00 0.00 C ATOM 1273 CD1 LEU A 108 1.707 4.118 6.830 1.00 0.00 C ATOM 1274 CD2 LEU A 108 3.237 5.447 5.303 1.00 0.00 C ATOM 0 H LEU A 108 -1.664 4.945 5.030 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.099 6.927 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.263 4.548 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.173 5.782 4.009 1.00 0.00 H new ATOM 0 HG LEU A 108 1.818 6.234 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.526 4.046 7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.759 4.156 7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.719 3.246 6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.025 5.349 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.317 4.634 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.343 6.401 4.787 1.00 0.00 H new ATOM 1285 N LEU A 109 -0.992 7.554 3.213 1.00 0.00 N ATOM 1286 CA LEU A 109 -1.088 8.609 2.219 1.00 0.00 C ATOM 1287 C LEU A 109 -2.062 9.681 2.711 1.00 0.00 C ATOM 1288 O LEU A 109 -1.882 10.865 2.428 1.00 0.00 O ATOM 1289 CB LEU A 109 -1.453 8.027 0.853 1.00 0.00 C ATOM 1290 CG LEU A 109 -0.685 6.772 0.431 1.00 0.00 C ATOM 1291 CD1 LEU A 109 -1.429 6.020 -0.675 1.00 0.00 C ATOM 1292 CD2 LEU A 109 0.748 7.119 0.025 1.00 0.00 C ATOM 0 H LEU A 109 -1.441 6.677 2.949 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.121 9.094 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.518 7.795 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.294 8.797 0.098 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.624 6.103 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.862 5.133 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.413 5.722 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.542 6.669 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.273 6.210 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.730 7.816 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.264 7.578 0.868 1.00 0.00 H new ATOM 1303 N LEU A 110 -3.072 9.229 3.439 1.00 0.00 N ATOM 1304 CA LEU A 110 -4.075 10.134 3.973 1.00 0.00 C ATOM 1305 C LEU A 110 -3.383 11.241 4.771 1.00 0.00 C ATOM 1306 O LEU A 110 -3.735 12.414 4.647 1.00 0.00 O ATOM 1307 CB LEU A 110 -5.123 9.361 4.777 1.00 0.00 C ATOM 1308 CG LEU A 110 -6.330 8.850 3.988 1.00 0.00 C ATOM 1309 CD1 LEU A 110 -6.014 8.765 2.494 1.00 0.00 C ATOM 1310 CD2 LEU A 110 -6.825 7.514 4.546 1.00 0.00 C ATOM 0 H LEU A 110 -3.217 8.247 3.672 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.621 10.617 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.634 8.508 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.484 10.005 5.579 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.142 9.568 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.889 8.399 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.747 9.754 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.180 8.081 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.683 7.173 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.027 6.774 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.118 7.641 5.588 1.00 0.00 H new ATOM 1321 N SER A 111 -2.411 10.830 5.572 1.00 0.00 N ATOM 1322 CA SER A 111 -1.666 11.773 6.389 1.00 0.00 C ATOM 1323 C SER A 111 -0.627 12.501 5.534 1.00 0.00 C ATOM 1324 O SER A 111 -0.323 13.668 5.779 1.00 0.00 O ATOM 1325 CB SER A 111 -0.987 11.067 7.563 1.00 0.00 C ATOM 1326 OG SER A 111 -0.392 11.991 8.471 1.00 0.00 O ATOM 0 H SER A 111 -2.122 9.857 5.673 1.00 0.00 H new ATOM 0 HA SER A 111 -2.367 12.502 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.720 10.459 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.223 10.388 7.185 1.00 0.00 H new ATOM 0 HG SER A 111 0.030 11.501 9.207 1.00 0.00 H new ATOM 1331 N ALA A 112 -0.111 11.782 4.548 1.00 0.00 N ATOM 1332 CA ALA A 112 0.888 12.344 3.655 1.00 0.00 C ATOM 1333 C ALA A 112 0.264 13.492 2.857 1.00 0.00 C ATOM 1334 O ALA A 112 0.853 14.566 2.743 1.00 0.00 O ATOM 1335 CB ALA A 112 1.445 11.242 2.752 1.00 0.00 C ATOM 0 H ALA A 112 -0.366 10.815 4.348 1.00 0.00 H new ATOM 0 HA ALA A 112 1.724 12.753 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.194 11.664 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.903 10.466 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.635 10.810 2.164 1.00 0.00 H new ATOM 1341 N GLN A 113 -0.919 13.224 2.325 1.00 0.00 N ATOM 1342 CA GLN A 113 -1.629 14.220 1.541 1.00 0.00 C ATOM 1343 C GLN A 113 -1.953 15.443 2.403 1.00 0.00 C ATOM 1344 O GLN A 113 -2.328 16.493 1.882 1.00 0.00 O ATOM 1345 CB GLN A 113 -2.901 13.631 0.926 1.00 0.00 C ATOM 1346 CG GLN A 113 -3.882 13.191 2.015 1.00 0.00 C ATOM 1347 CD GLN A 113 -5.271 12.932 1.428 1.00 0.00 C ATOM 1348 OE1 GLN A 113 -6.236 13.619 1.724 1.00 0.00 O ATOM 1349 NE2 GLN A 113 -5.319 11.907 0.583 1.00 0.00 N ATOM 0 H GLN A 113 -1.404 12.332 2.421 1.00 0.00 H new ATOM 0 HA GLN A 113 -0.982 14.537 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -3.375 14.372 0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -2.644 12.779 0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -3.513 12.286 2.498 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -3.946 13.960 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -4.474 11.374 0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.201 11.654 0.138 1.00 0.00 H new ATOM 1356 N GLU A 114 -1.795 15.266 3.706 1.00 0.00 N ATOM 1357 CA GLU A 114 -2.066 16.341 4.645 1.00 0.00 C ATOM 1358 C GLU A 114 -0.794 17.153 4.903 1.00 0.00 C ATOM 1359 O GLU A 114 -0.845 18.210 5.530 1.00 0.00 O ATOM 1360 CB GLU A 114 -2.643 15.796 5.953 1.00 0.00 C ATOM 1361 CG GLU A 114 -4.018 15.166 5.724 1.00 0.00 C ATOM 1362 CD GLU A 114 -5.095 15.893 6.533 1.00 0.00 C ATOM 1363 OE1 GLU A 114 -5.276 15.510 7.709 1.00 0.00 O ATOM 1364 OE2 GLU A 114 -5.712 16.815 5.957 1.00 0.00 O ATOM 0 H GLU A 114 -1.483 14.394 4.134 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.813 17.001 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.964 15.054 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.725 16.602 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.267 15.203 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.992 14.114 6.009 1.00 0.00 H new ATOM 1369 N ASN A 115 0.316 16.627 4.407 1.00 0.00 N ATOM 1370 CA ASN A 115 1.598 17.288 4.577 1.00 0.00 C ATOM 1371 C ASN A 115 1.841 18.230 3.396 1.00 0.00 C ATOM 1372 O ASN A 115 0.919 18.538 2.643 1.00 0.00 O ATOM 1373 CB ASN A 115 2.742 16.273 4.615 1.00 0.00 C ATOM 1374 CG ASN A 115 3.468 16.314 5.961 1.00 0.00 C ATOM 1375 OD1 ASN A 115 4.603 16.748 6.072 1.00 0.00 O ATOM 1376 ND2 ASN A 115 2.751 15.839 6.976 1.00 0.00 N ATOM 0 H ASN A 115 0.354 15.750 3.887 1.00 0.00 H new ATOM 0 HA ASN A 115 1.572 17.836 5.519 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.350 15.271 4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.447 16.484 3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.146 15.823 7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.806 15.491 6.814 1.00 0.00 H new ATOM 1382 N ILE A 116 3.088 18.662 3.271 1.00 0.00 N ATOM 1383 CA ILE A 116 3.464 19.563 2.195 1.00 0.00 C ATOM 1384 C ILE A 116 4.366 18.821 1.206 1.00 0.00 C ATOM 1385 O ILE A 116 4.224 18.974 -0.006 1.00 0.00 O ATOM 1386 CB ILE A 116 4.088 20.841 2.758 1.00 0.00 C ATOM 1387 CG1 ILE A 116 3.829 22.032 1.833 1.00 0.00 C ATOM 1388 CG2 ILE A 116 5.580 20.646 3.037 1.00 0.00 C ATOM 1389 CD1 ILE A 116 4.800 22.031 0.652 1.00 0.00 C ATOM 0 H ILE A 116 3.851 18.404 3.897 1.00 0.00 H new ATOM 0 HA ILE A 116 2.581 19.885 1.642 1.00 0.00 H new ATOM 0 HB ILE A 116 3.608 21.064 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.804 21.995 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.933 22.961 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 116 5.999 21.569 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.713 19.844 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.092 20.386 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.594 22.888 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.823 22.093 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.676 21.112 0.080 1.00 0.00 H new ATOM 1400 N ALA A 117 5.276 18.034 1.763 1.00 0.00 N ATOM 1401 CA ALA A 117 6.202 17.269 0.946 1.00 0.00 C ATOM 1402 C ALA A 117 5.573 15.918 0.598 1.00 0.00 C ATOM 1403 O ALA A 117 6.210 15.075 -0.031 1.00 0.00 O ATOM 1404 CB ALA A 117 7.533 17.119 1.686 1.00 0.00 C ATOM 0 H ALA A 117 5.391 17.910 2.769 1.00 0.00 H new ATOM 0 HA ALA A 117 6.406 17.788 0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.228 16.545 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.953 18.105 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.368 16.600 2.630 1.00 0.00 H new ATOM 1410 N GLY A 118 4.330 15.753 1.025 1.00 0.00 N ATOM 1411 CA GLY A 118 3.606 14.519 0.768 1.00 0.00 C ATOM 1412 C GLY A 118 4.220 13.352 1.544 1.00 0.00 C ATOM 1413 O GLY A 118 4.306 12.237 1.032 1.00 0.00 O ATOM 0 H GLY A 118 3.805 16.454 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.561 14.640 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.622 14.299 -0.299 1.00 0.00 H new ATOM 1417 N ILE A 119 4.631 13.649 2.770 1.00 0.00 N ATOM 1418 CA ILE A 119 5.233 12.639 3.622 1.00 0.00 C ATOM 1419 C ILE A 119 4.361 12.439 4.864 1.00 0.00 C ATOM 1420 O ILE A 119 3.914 13.408 5.474 1.00 0.00 O ATOM 1421 CB ILE A 119 6.684 13.004 3.941 1.00 0.00 C ATOM 1422 CG1 ILE A 119 7.638 12.432 2.891 1.00 0.00 C ATOM 1423 CG2 ILE A 119 7.061 12.563 5.358 1.00 0.00 C ATOM 1424 CD1 ILE A 119 7.407 13.087 1.527 1.00 0.00 C ATOM 0 H ILE A 119 4.558 14.575 3.192 1.00 0.00 H new ATOM 0 HA ILE A 119 5.276 11.680 3.105 1.00 0.00 H new ATOM 0 HB ILE A 119 6.779 14.089 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.669 12.592 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.493 11.355 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.097 12.834 5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 119 6.410 13.058 6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.945 11.483 5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.098 12.663 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.382 12.904 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.577 14.161 1.606 1.00 0.00 H new ATOM 1435 N PRO A 120 4.141 11.143 5.208 1.00 0.00 N ATOM 1436 CA PRO A 120 3.330 10.804 6.366 1.00 0.00 C ATOM 1437 C PRO A 120 4.098 11.054 7.665 1.00 0.00 C ATOM 1438 O PRO A 120 5.325 10.963 7.693 1.00 0.00 O ATOM 1439 CB PRO A 120 2.955 9.343 6.169 1.00 0.00 C ATOM 1440 CG PRO A 120 3.945 8.791 5.157 1.00 0.00 C ATOM 1441 CD PRO A 120 4.654 9.969 4.508 1.00 0.00 C ATOM 0 HA PRO A 120 2.437 11.423 6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.012 8.795 7.110 1.00 0.00 H new ATOM 0 HB3 PRO A 120 1.932 9.248 5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.665 8.135 5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.429 8.194 4.405 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.736 9.887 4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.441 10.020 3.440 1.00 0.00 H new ATOM 1446 N SER A 121 3.345 11.363 8.710 1.00 0.00 N ATOM 1447 CA SER A 121 3.939 11.627 10.009 1.00 0.00 C ATOM 1448 C SER A 121 4.737 10.409 10.477 1.00 0.00 C ATOM 1449 O SER A 121 5.567 10.514 11.378 1.00 0.00 O ATOM 1450 CB SER A 121 2.870 11.990 11.041 1.00 0.00 C ATOM 1451 OG SER A 121 1.931 10.935 11.230 1.00 0.00 O ATOM 0 H SER A 121 2.328 11.436 8.683 1.00 0.00 H new ATOM 0 HA SER A 121 4.613 12.478 9.910 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.349 12.224 11.992 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.345 12.889 10.718 1.00 0.00 H new ATOM 0 HG SER A 121 1.266 11.205 11.897 1.00 0.00 H new ATOM 1456 N ALA A 122 4.457 9.279 9.843 1.00 0.00 N ATOM 1457 CA ALA A 122 5.137 8.041 10.184 1.00 0.00 C ATOM 1458 C ALA A 122 6.641 8.214 9.960 1.00 0.00 C ATOM 1459 O ALA A 122 7.450 7.577 10.634 1.00 0.00 O ATOM 1460 CB ALA A 122 4.553 6.893 9.358 1.00 0.00 C ATOM 0 H ALA A 122 3.768 9.195 9.095 1.00 0.00 H new ATOM 0 HA ALA A 122 4.985 7.796 11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.063 5.964 9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 122 3.489 6.794 9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.690 7.102 8.297 1.00 0.00 H new ATOM 1466 N PHE A 123 6.971 9.079 9.012 1.00 0.00 N ATOM 1467 CA PHE A 123 8.364 9.343 8.692 1.00 0.00 C ATOM 1468 C PHE A 123 8.840 10.643 9.343 1.00 0.00 C ATOM 1469 O PHE A 123 9.997 10.753 9.745 1.00 0.00 O ATOM 1470 CB PHE A 123 8.453 9.485 7.171 1.00 0.00 C ATOM 1471 CG PHE A 123 7.840 8.316 6.399 1.00 0.00 C ATOM 1472 CD1 PHE A 123 7.599 7.135 7.030 1.00 0.00 C ATOM 1473 CD2 PHE A 123 7.534 8.457 5.081 1.00 0.00 C ATOM 1474 CE1 PHE A 123 7.029 6.050 6.314 1.00 0.00 C ATOM 1475 CE2 PHE A 123 6.964 7.371 4.365 1.00 0.00 C ATOM 1476 CZ PHE A 123 6.724 6.191 4.997 1.00 0.00 C ATOM 0 H PHE A 123 6.298 9.606 8.455 1.00 0.00 H new ATOM 0 HA PHE A 123 8.991 8.533 9.063 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.952 10.406 6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 123 9.500 9.585 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.842 7.023 8.076 1.00 0.00 H new ATOM 0 HD2 PHE A 123 7.724 9.394 4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 123 6.838 5.113 6.815 1.00 0.00 H new ATOM 0 HE2 PHE A 123 6.721 7.482 3.319 1.00 0.00 H new ATOM 0 HZ PHE A 123 6.291 5.365 4.452 1.00 0.00 H new ATOM 1485 N LEU A 124 7.922 11.595 9.428 1.00 0.00 N ATOM 1486 CA LEU A 124 8.233 12.884 10.024 1.00 0.00 C ATOM 1487 C LEU A 124 8.725 12.672 11.457 1.00 0.00 C ATOM 1488 O LEU A 124 9.895 12.907 11.757 1.00 0.00 O ATOM 1489 CB LEU A 124 7.033 13.826 9.919 1.00 0.00 C ATOM 1490 CG LEU A 124 6.473 14.045 8.512 1.00 0.00 C ATOM 1491 CD1 LEU A 124 5.149 14.811 8.561 1.00 0.00 C ATOM 1492 CD2 LEU A 124 7.501 14.735 7.614 1.00 0.00 C ATOM 0 H LEU A 124 6.963 11.500 9.094 1.00 0.00 H new ATOM 0 HA LEU A 124 9.040 13.372 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.234 13.436 10.550 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.319 14.794 10.329 1.00 0.00 H new ATOM 0 HG LEU A 124 6.264 13.070 8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.773 14.953 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 124 4.422 14.244 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.308 15.783 9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.078 14.879 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.764 15.703 8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.395 14.115 7.542 1.00 0.00 H new ATOM 1503 N GLU A 125 7.808 12.231 12.305 1.00 0.00 N ATOM 1504 CA GLU A 125 8.134 11.984 13.699 1.00 0.00 C ATOM 1505 C GLU A 125 9.244 10.938 13.808 1.00 0.00 C ATOM 1506 O GLU A 125 10.404 11.278 14.041 1.00 0.00 O ATOM 1507 CB GLU A 125 6.894 11.554 14.485 1.00 0.00 C ATOM 1508 CG GLU A 125 7.245 11.257 15.944 1.00 0.00 C ATOM 1509 CD GLU A 125 6.527 12.225 16.888 1.00 0.00 C ATOM 1510 OE1 GLU A 125 5.287 12.104 16.988 1.00 0.00 O ATOM 1511 OE2 GLU A 125 7.235 13.062 17.488 1.00 0.00 O ATOM 0 H GLU A 125 6.839 12.038 12.053 1.00 0.00 H new ATOM 0 HA GLU A 125 8.496 12.914 14.137 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.141 12.341 14.441 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.457 10.668 14.025 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.966 10.232 16.188 1.00 0.00 H new ATOM 0 HG3 GLU A 125 8.323 11.337 16.086 1.00 0.00 H new