USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 681 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 52 GLN : amide:sc= -1.84! K(o=-3.3!,f=-4.1) USER MOD Set 1.2: A 116 MET CE :methyl 169:sc=-0.000705 (180deg=-0.016) USER MOD Set 1.3: A 121 GLN : amide:sc= -1.45 K(o=-3.3,f=-4.1!) USER MOD Set 2.1: A 87 LYS NZ :NH3+ 146:sc= -1.11 (180deg=-3.13!) USER MOD Set 2.2: A 89 CYS SG : rot 180:sc= -0.0398 USER MOD Single : A 43 HIS : no HD1:sc= -0.618 X(o=-0.62,f=-0.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.193) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 13:sc= 0.00659 USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= -0.531 (180deg=-0.594) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 86 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-1.9) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 10:sc= 0.902 USER MOD Single : A 95 CYS SG : rot -75:sc= -0.151 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.0504 F(o=-0.85,f=-0.05) USER MOD Single : A 105 SER OG : rot -40:sc= 0.287 USER MOD Single : A 108 HIS : no HD1:sc= -0.253 K(o=-0.25,f=-4.6!) USER MOD Single : A 110 GLN :FLIP amide:sc= -2.35 F(o=-5.3!,f=-2.3) USER MOD Single : A 111 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.334) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 117 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -116:sc= 0.423 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 1.213 14.050 -7.162 1.00 0.00 N ATOM 136 CA ASP A 42 0.689 15.314 -6.657 1.00 0.00 C ATOM 137 C ASP A 42 1.583 15.871 -5.553 1.00 0.00 C ATOM 138 O ASP A 42 1.883 15.182 -4.577 1.00 0.00 O ATOM 139 CB ASP A 42 -0.735 15.127 -6.132 1.00 0.00 C ATOM 140 CG ASP A 42 -1.511 16.429 -6.088 1.00 0.00 C ATOM 141 OD1 ASP A 42 -0.891 17.481 -5.830 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.740 16.395 -6.311 1.00 0.00 O ATOM 0 HA ASP A 42 0.673 16.027 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.262 14.414 -6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.697 14.696 -5.132 1.00 0.00 H new ATOM 147 N HIS A 43 2.005 17.121 -5.714 1.00 0.00 N ATOM 148 CA HIS A 43 2.865 17.770 -4.731 1.00 0.00 C ATOM 149 C HIS A 43 2.367 17.504 -3.314 1.00 0.00 C ATOM 150 O HIS A 43 3.155 17.438 -2.370 1.00 0.00 O ATOM 151 CB HIS A 43 2.925 19.276 -4.990 1.00 0.00 C ATOM 152 CG HIS A 43 1.624 19.977 -4.746 1.00 0.00 C ATOM 153 ND1 HIS A 43 1.302 20.567 -3.542 1.00 0.00 N ATOM 154 CD2 HIS A 43 0.563 20.183 -5.560 1.00 0.00 C ATOM 155 CE1 HIS A 43 0.098 21.104 -3.625 1.00 0.00 C ATOM 156 NE2 HIS A 43 -0.372 20.886 -4.840 1.00 0.00 N ATOM 0 H HIS A 43 1.766 17.705 -6.516 1.00 0.00 H new ATOM 0 HA HIS A 43 3.867 17.352 -4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.691 19.716 -4.351 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.233 19.447 -6.022 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.469 19.856 -6.585 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.415 21.631 -2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.282 21.190 -5.187 1.00 0.00 H new ATOM 165 N ASP A 44 1.054 17.355 -3.172 1.00 0.00 N ATOM 166 CA ASP A 44 0.450 17.096 -1.870 1.00 0.00 C ATOM 167 C ASP A 44 -0.130 15.687 -1.810 1.00 0.00 C ATOM 168 O ASP A 44 -1.199 15.469 -1.240 1.00 0.00 O ATOM 169 CB ASP A 44 -0.643 18.125 -1.578 1.00 0.00 C ATOM 170 CG ASP A 44 -0.920 18.271 -0.095 1.00 0.00 C ATOM 171 OD1 ASP A 44 0.043 18.199 0.698 1.00 0.00 O ATOM 172 OD2 ASP A 44 -2.098 18.457 0.274 1.00 0.00 O ATOM 0 H ASP A 44 0.388 17.409 -3.943 1.00 0.00 H new ATOM 0 HA ASP A 44 1.229 17.180 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.346 19.091 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.560 17.831 -2.089 1.00 0.00 H new ATOM 177 N ALA A 45 0.580 14.734 -2.405 1.00 0.00 N ATOM 178 CA ALA A 45 0.136 13.346 -2.418 1.00 0.00 C ATOM 179 C ALA A 45 0.295 12.705 -1.044 1.00 0.00 C ATOM 180 O ALA A 45 0.874 13.300 -0.135 1.00 0.00 O ATOM 181 CB ALA A 45 0.907 12.555 -3.464 1.00 0.00 C ATOM 0 H ALA A 45 1.465 14.898 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.923 13.332 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.565 11.520 -3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.738 12.992 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.972 12.586 -3.232 1.00 0.00 H new ATOM 187 N ILE A 46 -0.222 11.489 -0.899 1.00 0.00 N ATOM 188 CA ILE A 46 -0.136 10.768 0.364 1.00 0.00 C ATOM 189 C ILE A 46 0.319 9.330 0.147 1.00 0.00 C ATOM 190 O ILE A 46 0.088 8.747 -0.913 1.00 0.00 O ATOM 191 CB ILE A 46 -1.488 10.761 1.101 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.093 12.167 1.118 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.316 10.236 2.519 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.544 12.195 1.542 1.00 0.00 C ATOM 0 H ILE A 46 -0.705 10.983 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 46 0.600 11.290 0.976 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.171 10.099 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.513 12.795 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.005 12.604 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.280 10.237 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.925 9.219 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.619 10.875 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.907 13.223 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.136 11.594 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.637 11.788 2.549 1.00 0.00 H new ATOM 206 N LYS A 47 0.967 8.760 1.158 1.00 0.00 N ATOM 207 CA LYS A 47 1.453 7.388 1.080 1.00 0.00 C ATOM 208 C LYS A 47 0.609 6.462 1.949 1.00 0.00 C ATOM 209 O LYS A 47 0.722 6.471 3.176 1.00 0.00 O ATOM 210 CB LYS A 47 2.918 7.318 1.515 1.00 0.00 C ATOM 211 CG LYS A 47 3.587 5.994 1.192 1.00 0.00 C ATOM 212 CD LYS A 47 5.099 6.087 1.317 1.00 0.00 C ATOM 213 CE LYS A 47 5.560 5.782 2.734 1.00 0.00 C ATOM 214 NZ LYS A 47 6.992 6.137 2.939 1.00 0.00 N ATOM 0 H LYS A 47 1.168 9.228 2.042 1.00 0.00 H new ATOM 0 HA LYS A 47 1.372 7.059 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.471 8.122 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.978 7.493 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.212 5.223 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.323 5.690 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.566 5.389 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.428 7.087 1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.944 6.334 3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.415 4.722 2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.268 5.914 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.583 5.591 2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.126 7.153 2.764 1.00 0.00 H new ATOM 228 N LEU A 48 -0.235 5.662 1.308 1.00 0.00 N ATOM 229 CA LEU A 48 -1.098 4.727 2.023 1.00 0.00 C ATOM 230 C LEU A 48 -0.322 3.482 2.442 1.00 0.00 C ATOM 231 O LEU A 48 0.488 2.957 1.679 1.00 0.00 O ATOM 232 CB LEU A 48 -2.288 4.330 1.148 1.00 0.00 C ATOM 233 CG LEU A 48 -3.394 5.377 1.004 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.517 4.849 0.125 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.928 5.780 2.371 1.00 0.00 C ATOM 0 H LEU A 48 -0.341 5.641 0.294 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.465 5.223 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.916 4.084 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.727 3.420 1.558 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.972 6.261 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.295 5.607 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.124 4.611 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.938 3.949 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.714 6.525 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.334 4.903 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.119 6.200 2.968 1.00 0.00 H new ATOM 247 N PHE A 49 -0.578 3.014 3.659 1.00 0.00 N ATOM 248 CA PHE A 49 0.094 1.830 4.180 1.00 0.00 C ATOM 249 C PHE A 49 -0.917 0.753 4.560 1.00 0.00 C ATOM 250 O PHE A 49 -1.802 0.980 5.386 1.00 0.00 O ATOM 251 CB PHE A 49 0.948 2.196 5.396 1.00 0.00 C ATOM 252 CG PHE A 49 1.474 1.002 6.140 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.597 0.327 5.690 1.00 0.00 C ATOM 254 CD2 PHE A 49 0.845 0.555 7.291 1.00 0.00 C ATOM 255 CE1 PHE A 49 3.081 -0.773 6.373 1.00 0.00 C ATOM 256 CE2 PHE A 49 1.325 -0.544 7.979 1.00 0.00 C ATOM 257 CZ PHE A 49 2.446 -1.208 7.519 1.00 0.00 C ATOM 0 H PHE A 49 -1.246 3.437 4.303 1.00 0.00 H new ATOM 0 HA PHE A 49 0.740 1.436 3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.788 2.809 5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.354 2.806 6.077 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.100 0.664 4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.031 1.071 7.655 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.956 -1.292 6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.825 -0.883 8.874 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.825 -2.066 8.055 1.00 0.00 H new ATOM 267 N VAL A 50 -0.780 -0.421 3.951 1.00 0.00 N ATOM 268 CA VAL A 50 -1.681 -1.534 4.225 1.00 0.00 C ATOM 269 C VAL A 50 -1.006 -2.585 5.098 1.00 0.00 C ATOM 270 O VAL A 50 0.124 -2.994 4.834 1.00 0.00 O ATOM 271 CB VAL A 50 -2.166 -2.198 2.923 1.00 0.00 C ATOM 272 CG1 VAL A 50 -3.359 -3.101 3.195 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.511 -1.142 1.884 1.00 0.00 C ATOM 0 H VAL A 50 -0.054 -0.626 3.265 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.540 -1.122 4.755 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.359 -2.814 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.687 -3.561 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.073 -3.879 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.174 -2.511 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.852 -1.628 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.302 -0.498 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.627 -0.542 1.668 1.00 0.00 H new ATOM 283 N GLY A 51 -1.706 -3.020 6.141 1.00 0.00 N ATOM 284 CA GLY A 51 -1.158 -4.021 7.038 1.00 0.00 C ATOM 285 C GLY A 51 -2.020 -5.266 7.114 1.00 0.00 C ATOM 286 O GLY A 51 -2.117 -5.898 8.166 1.00 0.00 O ATOM 0 H GLY A 51 -2.643 -2.697 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.158 -4.295 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.054 -3.593 8.035 1.00 0.00 H new ATOM 290 N GLN A 52 -2.650 -5.617 5.998 1.00 0.00 N ATOM 291 CA GLN A 52 -3.511 -6.793 5.944 1.00 0.00 C ATOM 292 C GLN A 52 -3.207 -7.634 4.709 1.00 0.00 C ATOM 293 O GLN A 52 -4.118 -8.108 4.030 1.00 0.00 O ATOM 294 CB GLN A 52 -4.982 -6.374 5.941 1.00 0.00 C ATOM 295 CG GLN A 52 -5.942 -7.523 6.204 1.00 0.00 C ATOM 296 CD GLN A 52 -5.897 -8.004 7.641 1.00 0.00 C ATOM 297 OE1 GLN A 52 -5.749 -9.198 7.904 1.00 0.00 O ATOM 298 NE2 GLN A 52 -6.026 -7.075 8.581 1.00 0.00 N ATOM 0 H GLN A 52 -2.581 -5.104 5.119 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.314 -7.397 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.134 -5.604 6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.221 -5.925 4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.957 -7.206 5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.700 -8.353 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.147 -6.097 8.318 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.004 -7.340 9.566 1.00 0.00 H new ATOM 307 N ILE A 53 -1.922 -7.814 4.423 1.00 0.00 N ATOM 308 CA ILE A 53 -1.498 -8.599 3.270 1.00 0.00 C ATOM 309 C ILE A 53 -0.884 -9.925 3.704 1.00 0.00 C ATOM 310 O ILE A 53 0.190 -9.974 4.304 1.00 0.00 O ATOM 311 CB ILE A 53 -0.478 -7.830 2.410 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.999 -6.426 2.096 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.187 -8.593 1.126 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.081 -5.470 1.639 1.00 0.00 C ATOM 0 H ILE A 53 -1.156 -7.427 4.974 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.390 -8.792 2.674 1.00 0.00 H new ATOM 0 HB ILE A 53 0.451 -7.735 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.763 -6.495 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.481 -6.019 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.536 -8.037 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.222 -9.574 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.110 -8.715 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.360 -4.494 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.834 -5.371 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.548 -5.855 0.732 1.00 0.00 H new ATOM 326 N PRO A 54 -1.579 -11.029 3.391 1.00 0.00 N ATOM 327 CA PRO A 54 -1.119 -12.378 3.737 1.00 0.00 C ATOM 328 C PRO A 54 0.102 -12.799 2.927 1.00 0.00 C ATOM 329 O PRO A 54 0.567 -12.062 2.058 1.00 0.00 O ATOM 330 CB PRO A 54 -2.321 -13.261 3.390 1.00 0.00 C ATOM 331 CG PRO A 54 -3.062 -12.500 2.346 1.00 0.00 C ATOM 332 CD PRO A 54 -2.866 -11.046 2.676 1.00 0.00 C ATOM 0 HA PRO A 54 -0.807 -12.448 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.002 -14.235 3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.945 -13.442 4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.680 -12.729 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.120 -12.762 2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.834 -10.431 1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.676 -10.662 3.297 1.00 0.00 H new ATOM 340 N ARG A 55 0.618 -13.989 3.219 1.00 0.00 N ATOM 341 CA ARG A 55 1.787 -14.508 2.518 1.00 0.00 C ATOM 342 C ARG A 55 1.371 -15.316 1.293 1.00 0.00 C ATOM 343 O ARG A 55 0.401 -16.072 1.334 1.00 0.00 O ATOM 344 CB ARG A 55 2.625 -15.378 3.456 1.00 0.00 C ATOM 345 CG ARG A 55 2.093 -16.792 3.614 1.00 0.00 C ATOM 346 CD ARG A 55 0.860 -16.827 4.504 1.00 0.00 C ATOM 347 NE ARG A 55 1.045 -16.051 5.726 1.00 0.00 N ATOM 348 CZ ARG A 55 0.041 -15.557 6.442 1.00 0.00 C ATOM 349 NH1 ARG A 55 -1.212 -15.758 6.060 1.00 0.00 N ATOM 350 NH2 ARG A 55 0.290 -14.860 7.544 1.00 0.00 N ATOM 0 H ARG A 55 0.245 -14.612 3.936 1.00 0.00 H new ATOM 0 HA ARG A 55 2.387 -13.661 2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.647 -15.424 3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.668 -14.903 4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.847 -17.201 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.869 -17.428 4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.004 -16.437 3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.629 -17.860 4.762 1.00 0.00 H new ATOM 0 HE ARG A 55 1.997 -15.878 6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.408 -16.293 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.981 -15.377 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.253 -14.703 7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.482 -14.481 8.093 1.00 0.00 H new ATOM 364 N GLY A 56 2.113 -15.151 0.202 1.00 0.00 N ATOM 365 CA GLY A 56 1.806 -15.871 -1.020 1.00 0.00 C ATOM 366 C GLY A 56 1.417 -14.945 -2.156 1.00 0.00 C ATOM 367 O GLY A 56 1.571 -15.290 -3.329 1.00 0.00 O ATOM 0 H GLY A 56 2.921 -14.532 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.672 -16.462 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.992 -16.571 -0.831 1.00 0.00 H new ATOM 371 N LEU A 57 0.909 -13.768 -1.810 1.00 0.00 N ATOM 372 CA LEU A 57 0.495 -12.790 -2.810 1.00 0.00 C ATOM 373 C LEU A 57 1.562 -11.716 -2.997 1.00 0.00 C ATOM 374 O LEU A 57 2.622 -11.765 -2.372 1.00 0.00 O ATOM 375 CB LEU A 57 -0.830 -12.143 -2.402 1.00 0.00 C ATOM 376 CG LEU A 57 -1.972 -13.104 -2.071 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.187 -12.337 -1.571 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.332 -13.944 -3.287 1.00 0.00 C ATOM 0 H LEU A 57 0.774 -13.467 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 57 0.361 -13.312 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.650 -11.511 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.156 -11.488 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.639 -13.774 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.990 -13.037 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.921 -11.781 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.522 -11.643 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.147 -14.622 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.645 -13.290 -4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.463 -14.522 -3.600 1.00 0.00 H new ATOM 390 N ASP A 58 1.274 -10.746 -3.858 1.00 0.00 N ATOM 391 CA ASP A 58 2.208 -9.657 -4.124 1.00 0.00 C ATOM 392 C ASP A 58 1.488 -8.465 -4.745 1.00 0.00 C ATOM 393 O ASP A 58 0.267 -8.475 -4.897 1.00 0.00 O ATOM 394 CB ASP A 58 3.328 -10.133 -5.050 1.00 0.00 C ATOM 395 CG ASP A 58 3.918 -11.459 -4.612 1.00 0.00 C ATOM 396 OD1 ASP A 58 3.263 -12.501 -4.828 1.00 0.00 O ATOM 397 OD2 ASP A 58 5.035 -11.455 -4.054 1.00 0.00 O ATOM 0 H ASP A 58 0.402 -10.691 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 58 2.642 -9.342 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.941 -10.229 -6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.116 -9.380 -5.079 1.00 0.00 H new ATOM 402 N GLU A 59 2.254 -7.438 -5.102 1.00 0.00 N ATOM 403 CA GLU A 59 1.689 -6.237 -5.705 1.00 0.00 C ATOM 404 C GLU A 59 0.794 -6.592 -6.889 1.00 0.00 C ATOM 405 O GLU A 59 -0.054 -5.800 -7.298 1.00 0.00 O ATOM 406 CB GLU A 59 2.805 -5.294 -6.160 1.00 0.00 C ATOM 407 CG GLU A 59 3.797 -4.952 -5.062 1.00 0.00 C ATOM 408 CD GLU A 59 4.959 -5.924 -5.002 1.00 0.00 C ATOM 409 OE1 GLU A 59 4.857 -7.010 -5.610 1.00 0.00 O ATOM 410 OE2 GLU A 59 5.971 -5.599 -4.346 1.00 0.00 O ATOM 0 H GLU A 59 3.267 -7.414 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 59 1.083 -5.734 -4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.340 -5.752 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.360 -4.373 -6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.179 -3.944 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.282 -4.947 -4.101 1.00 0.00 H new ATOM 417 N GLN A 60 0.991 -7.789 -7.434 1.00 0.00 N ATOM 418 CA GLN A 60 0.203 -8.248 -8.572 1.00 0.00 C ATOM 419 C GLN A 60 -1.224 -8.577 -8.148 1.00 0.00 C ATOM 420 O GLN A 60 -2.165 -8.418 -8.926 1.00 0.00 O ATOM 421 CB GLN A 60 0.855 -9.478 -9.207 1.00 0.00 C ATOM 422 CG GLN A 60 0.758 -10.729 -8.349 1.00 0.00 C ATOM 423 CD GLN A 60 0.939 -12.002 -9.152 1.00 0.00 C ATOM 424 OE1 GLN A 60 0.001 -12.491 -9.783 1.00 0.00 O ATOM 425 NE2 GLN A 60 2.150 -12.547 -9.133 1.00 0.00 N ATOM 0 H GLN A 60 1.688 -8.457 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 60 0.168 -7.443 -9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.385 -9.671 -10.171 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.905 -9.262 -9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.515 -10.687 -7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.213 -10.751 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.898 -12.108 -8.597 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.332 -13.404 -9.655 1.00 0.00 H new ATOM 434 N ASP A 61 -1.378 -9.037 -6.911 1.00 0.00 N ATOM 435 CA ASP A 61 -2.691 -9.387 -6.383 1.00 0.00 C ATOM 436 C ASP A 61 -3.342 -8.186 -5.704 1.00 0.00 C ATOM 437 O ASP A 61 -4.558 -8.153 -5.510 1.00 0.00 O ATOM 438 CB ASP A 61 -2.574 -10.547 -5.393 1.00 0.00 C ATOM 439 CG ASP A 61 -3.882 -11.292 -5.216 1.00 0.00 C ATOM 440 OD1 ASP A 61 -4.248 -12.073 -6.120 1.00 0.00 O ATOM 441 OD2 ASP A 61 -4.540 -11.095 -4.173 1.00 0.00 O ATOM 0 H ASP A 61 -0.609 -9.176 -6.255 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.320 -9.695 -7.218 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.808 -11.241 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.244 -10.165 -4.427 1.00 0.00 H new ATOM 446 N LEU A 62 -2.526 -7.203 -5.343 1.00 0.00 N ATOM 447 CA LEU A 62 -3.022 -6.000 -4.684 1.00 0.00 C ATOM 448 C LEU A 62 -3.354 -4.917 -5.705 1.00 0.00 C ATOM 449 O LEU A 62 -4.304 -4.153 -5.531 1.00 0.00 O ATOM 450 CB LEU A 62 -1.985 -5.476 -3.688 1.00 0.00 C ATOM 451 CG LEU A 62 -1.518 -6.468 -2.622 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.188 -6.028 -2.030 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.568 -6.613 -1.530 1.00 0.00 C ATOM 0 H LEU A 62 -1.518 -7.215 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.934 -6.260 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.113 -5.136 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.402 -4.603 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.379 -7.440 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.129 -6.746 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.562 -5.977 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.301 -5.045 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.218 -7.323 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.740 -5.645 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.499 -6.975 -1.966 1.00 0.00 H new ATOM 465 N LYS A 63 -2.566 -4.857 -6.774 1.00 0.00 N ATOM 466 CA LYS A 63 -2.777 -3.870 -7.826 1.00 0.00 C ATOM 467 C LYS A 63 -4.250 -3.802 -8.220 1.00 0.00 C ATOM 468 O LYS A 63 -4.839 -2.726 -8.325 1.00 0.00 O ATOM 469 CB LYS A 63 -1.926 -4.211 -9.051 1.00 0.00 C ATOM 470 CG LYS A 63 -0.594 -3.482 -9.089 1.00 0.00 C ATOM 471 CD LYS A 63 -0.699 -2.169 -9.848 1.00 0.00 C ATOM 472 CE LYS A 63 0.650 -1.737 -10.402 1.00 0.00 C ATOM 473 NZ LYS A 63 1.722 -1.808 -9.371 1.00 0.00 N ATOM 0 H LYS A 63 -1.775 -5.481 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.476 -2.895 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.743 -5.285 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.489 -3.969 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.254 -3.289 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.156 -4.117 -9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.412 -2.276 -10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.087 -1.395 -9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.916 -2.373 -11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.577 -0.717 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.572 -1.320 -9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.394 -1.350 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.950 -2.804 -9.175 1.00 0.00 H new ATOM 487 N PRO A 64 -4.859 -4.976 -8.442 1.00 0.00 N ATOM 488 CA PRO A 64 -6.270 -5.075 -8.826 1.00 0.00 C ATOM 489 C PRO A 64 -7.173 -4.224 -7.940 1.00 0.00 C ATOM 490 O PRO A 64 -7.928 -3.383 -8.430 1.00 0.00 O ATOM 491 CB PRO A 64 -6.585 -6.561 -8.639 1.00 0.00 C ATOM 492 CG PRO A 64 -5.274 -7.250 -8.804 1.00 0.00 C ATOM 493 CD PRO A 64 -4.217 -6.297 -8.336 1.00 0.00 C ATOM 0 HA PRO A 64 -6.443 -4.713 -9.839 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.013 -6.754 -7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.310 -6.908 -9.375 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.247 -8.172 -8.223 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.111 -7.525 -9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.911 -6.511 -7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.322 -6.357 -8.955 1.00 0.00 H new ATOM 501 N LEU A 65 -7.091 -4.447 -6.632 1.00 0.00 N ATOM 502 CA LEU A 65 -7.901 -3.700 -5.677 1.00 0.00 C ATOM 503 C LEU A 65 -7.569 -2.212 -5.727 1.00 0.00 C ATOM 504 O LEU A 65 -8.449 -1.375 -5.929 1.00 0.00 O ATOM 505 CB LEU A 65 -7.679 -4.235 -4.261 1.00 0.00 C ATOM 506 CG LEU A 65 -8.315 -5.590 -3.949 1.00 0.00 C ATOM 507 CD1 LEU A 65 -7.958 -6.036 -2.539 1.00 0.00 C ATOM 508 CD2 LEU A 65 -9.825 -5.523 -4.122 1.00 0.00 C ATOM 0 H LEU A 65 -6.472 -5.139 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.949 -3.829 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.606 -4.311 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.066 -3.503 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.921 -6.325 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.420 -7.002 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.875 -6.125 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.323 -5.301 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.261 -6.496 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.236 -4.775 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.062 -5.250 -5.150 1.00 0.00 H new ATOM 520 N PHE A 66 -6.293 -1.889 -5.544 1.00 0.00 N ATOM 521 CA PHE A 66 -5.843 -0.502 -5.571 1.00 0.00 C ATOM 522 C PHE A 66 -6.202 0.161 -6.897 1.00 0.00 C ATOM 523 O PHE A 66 -6.387 1.376 -6.965 1.00 0.00 O ATOM 524 CB PHE A 66 -4.332 -0.429 -5.343 1.00 0.00 C ATOM 525 CG PHE A 66 -3.891 -1.038 -4.043 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.661 -0.896 -2.900 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.707 -1.753 -3.964 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.258 -1.455 -1.702 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.298 -2.314 -2.769 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.075 -2.166 -1.637 1.00 0.00 C ATOM 0 H PHE A 66 -5.552 -2.569 -5.375 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.350 0.034 -4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.824 -0.936 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.019 0.615 -5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.587 -0.342 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.096 -1.873 -4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.867 -1.336 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.372 -2.867 -2.721 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.759 -2.605 -0.702 1.00 0.00 H new ATOM 540 N GLU A 67 -6.298 -0.647 -7.949 1.00 0.00 N ATOM 541 CA GLU A 67 -6.633 -0.138 -9.274 1.00 0.00 C ATOM 542 C GLU A 67 -8.144 0.002 -9.436 1.00 0.00 C ATOM 543 O GLU A 67 -8.628 0.429 -10.484 1.00 0.00 O ATOM 544 CB GLU A 67 -6.076 -1.065 -10.356 1.00 0.00 C ATOM 545 CG GLU A 67 -4.643 -0.750 -10.749 1.00 0.00 C ATOM 546 CD GLU A 67 -4.307 -1.218 -12.152 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.480 -2.422 -12.432 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.869 -0.380 -12.968 1.00 0.00 O ATOM 0 H GLU A 67 -6.149 -1.655 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.180 0.848 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.129 -2.095 -10.003 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.709 -0.999 -11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.479 0.325 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.963 -1.222 -10.040 1.00 0.00 H new ATOM 555 N GLU A 68 -8.882 -0.361 -8.392 1.00 0.00 N ATOM 556 CA GLU A 68 -10.338 -0.277 -8.420 1.00 0.00 C ATOM 557 C GLU A 68 -10.807 1.137 -8.092 1.00 0.00 C ATOM 558 O GLU A 68 -11.913 1.537 -8.457 1.00 0.00 O ATOM 559 CB GLU A 68 -10.947 -1.272 -7.430 1.00 0.00 C ATOM 560 CG GLU A 68 -12.459 -1.382 -7.531 1.00 0.00 C ATOM 561 CD GLU A 68 -13.102 -1.802 -6.224 1.00 0.00 C ATOM 562 OE1 GLU A 68 -12.521 -2.658 -5.525 1.00 0.00 O ATOM 563 OE2 GLU A 68 -14.187 -1.275 -5.899 1.00 0.00 O ATOM 0 H GLU A 68 -8.496 -0.716 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.672 -0.527 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.507 -2.255 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.680 -0.973 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.869 -0.421 -7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.716 -2.104 -8.306 1.00 0.00 H new ATOM 570 N PHE A 69 -9.959 1.890 -7.398 1.00 0.00 N ATOM 571 CA PHE A 69 -10.287 3.259 -7.019 1.00 0.00 C ATOM 572 C PHE A 69 -9.575 4.260 -7.923 1.00 0.00 C ATOM 573 O PHE A 69 -10.160 5.254 -8.351 1.00 0.00 O ATOM 574 CB PHE A 69 -9.904 3.511 -5.559 1.00 0.00 C ATOM 575 CG PHE A 69 -10.723 2.721 -4.579 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.959 3.183 -4.157 1.00 0.00 C ATOM 577 CD2 PHE A 69 -10.258 1.515 -4.080 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.715 2.458 -3.255 1.00 0.00 C ATOM 579 CE2 PHE A 69 -11.008 0.785 -3.178 1.00 0.00 C ATOM 580 CZ PHE A 69 -12.239 1.257 -2.766 1.00 0.00 C ATOM 0 H PHE A 69 -9.040 1.575 -7.087 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.362 3.394 -7.135 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.851 3.266 -5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.016 4.573 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.336 4.121 -4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.297 1.141 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.676 2.830 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.633 -0.153 -2.796 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.829 0.688 -2.063 1.00 0.00 H new ATOM 590 N GLY A 70 -8.305 3.989 -8.211 1.00 0.00 N ATOM 591 CA GLY A 70 -7.532 4.875 -9.062 1.00 0.00 C ATOM 592 C GLY A 70 -6.183 4.292 -9.433 1.00 0.00 C ATOM 593 O GLY A 70 -5.786 3.249 -8.912 1.00 0.00 O ATOM 0 H GLY A 70 -7.798 3.172 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.096 5.084 -9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.385 5.827 -8.552 1.00 0.00 H new ATOM 597 N ARG A 71 -5.478 4.964 -10.336 1.00 0.00 N ATOM 598 CA ARG A 71 -4.167 4.504 -10.778 1.00 0.00 C ATOM 599 C ARG A 71 -3.148 4.596 -9.646 1.00 0.00 C ATOM 600 O ARG A 71 -3.254 5.455 -8.770 1.00 0.00 O ATOM 601 CB ARG A 71 -3.690 5.329 -11.975 1.00 0.00 C ATOM 602 CG ARG A 71 -4.081 4.736 -13.319 1.00 0.00 C ATOM 603 CD ARG A 71 -5.421 5.274 -13.796 1.00 0.00 C ATOM 604 NE ARG A 71 -5.906 4.565 -14.978 1.00 0.00 N ATOM 605 CZ ARG A 71 -7.077 4.812 -15.554 1.00 0.00 C ATOM 606 NH1 ARG A 71 -7.879 5.745 -15.060 1.00 0.00 N ATOM 607 NH2 ARG A 71 -7.447 4.125 -16.627 1.00 0.00 N ATOM 0 H ARG A 71 -5.792 5.829 -10.776 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.259 3.460 -11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.101 6.336 -11.898 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.605 5.423 -11.931 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.312 4.965 -14.057 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.131 3.650 -13.238 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.154 5.185 -12.994 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.325 6.336 -14.024 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.313 3.841 -15.383 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.597 6.275 -14.235 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.778 5.933 -15.504 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.832 3.407 -17.010 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.346 4.315 -17.069 1.00 0.00 H new ATOM 621 N ILE A 72 -2.163 3.705 -9.670 1.00 0.00 N ATOM 622 CA ILE A 72 -1.125 3.686 -8.646 1.00 0.00 C ATOM 623 C ILE A 72 0.150 4.358 -9.143 1.00 0.00 C ATOM 624 O ILE A 72 0.371 4.480 -10.348 1.00 0.00 O ATOM 625 CB ILE A 72 -0.796 2.247 -8.205 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.049 1.558 -7.662 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.308 2.254 -7.158 1.00 0.00 C ATOM 628 CD1 ILE A 72 -1.851 0.087 -7.369 1.00 0.00 C ATOM 0 H ILE A 72 -2.061 2.987 -10.387 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.514 4.239 -7.791 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.444 1.688 -9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.364 2.063 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.858 1.671 -8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.530 1.230 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.204 2.711 -7.578 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.018 2.826 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.780 -0.336 -6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.565 -0.431 -8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.065 -0.033 -6.624 1.00 0.00 H new ATOM 640 N TYR A 73 0.988 4.790 -8.207 1.00 0.00 N ATOM 641 CA TYR A 73 2.242 5.450 -8.550 1.00 0.00 C ATOM 642 C TYR A 73 3.431 4.534 -8.279 1.00 0.00 C ATOM 643 O TYR A 73 4.420 4.551 -9.010 1.00 0.00 O ATOM 644 CB TYR A 73 2.392 6.749 -7.756 1.00 0.00 C ATOM 645 CG TYR A 73 3.703 7.461 -8.002 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.906 6.909 -7.579 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.738 8.686 -8.657 1.00 0.00 C ATOM 648 CE1 TYR A 73 6.106 7.557 -7.802 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.934 9.340 -8.885 1.00 0.00 C ATOM 650 CZ TYR A 73 6.115 8.771 -8.455 1.00 0.00 C ATOM 651 OH TYR A 73 7.307 9.420 -8.679 1.00 0.00 O ATOM 0 H TYR A 73 0.822 4.695 -7.205 1.00 0.00 H new ATOM 0 HA TYR A 73 2.222 5.683 -9.615 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.571 7.419 -8.012 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.303 6.527 -6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.903 5.958 -7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.815 9.135 -8.994 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.032 7.114 -7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.944 10.291 -9.397 1.00 0.00 H new ATOM 0 HH TYR A 73 7.137 10.262 -9.151 1.00 0.00 H new ATOM 661 N GLU A 74 3.326 3.735 -7.221 1.00 0.00 N ATOM 662 CA GLU A 74 4.393 2.812 -6.853 1.00 0.00 C ATOM 663 C GLU A 74 3.942 1.878 -5.733 1.00 0.00 C ATOM 664 O GLU A 74 3.494 2.327 -4.677 1.00 0.00 O ATOM 665 CB GLU A 74 5.639 3.586 -6.416 1.00 0.00 C ATOM 666 CG GLU A 74 6.821 2.694 -6.076 1.00 0.00 C ATOM 667 CD GLU A 74 8.093 3.481 -5.827 1.00 0.00 C ATOM 668 OE1 GLU A 74 8.145 4.220 -4.821 1.00 0.00 O ATOM 669 OE2 GLU A 74 9.035 3.359 -6.637 1.00 0.00 O ATOM 0 H GLU A 74 2.514 3.709 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 74 4.636 2.210 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.929 4.271 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.392 4.195 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.584 2.105 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.987 1.991 -6.892 1.00 0.00 H new ATOM 676 N LEU A 75 4.063 0.577 -5.972 1.00 0.00 N ATOM 677 CA LEU A 75 3.667 -0.422 -4.985 1.00 0.00 C ATOM 678 C LEU A 75 4.856 -1.288 -4.580 1.00 0.00 C ATOM 679 O LEU A 75 5.475 -1.943 -5.419 1.00 0.00 O ATOM 680 CB LEU A 75 2.547 -1.302 -5.542 1.00 0.00 C ATOM 681 CG LEU A 75 1.850 -2.218 -4.535 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.607 -1.484 -3.225 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.540 -2.740 -5.107 1.00 0.00 C ATOM 0 H LEU A 75 4.432 0.189 -6.840 1.00 0.00 H new ATOM 0 HA LEU A 75 3.304 0.101 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.796 -0.656 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.960 -1.920 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 75 2.501 -3.069 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.110 -2.151 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.560 -1.160 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.976 -0.614 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.058 -3.390 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.117 -1.901 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.740 -3.303 -6.018 1.00 0.00 H new ATOM 695 N THR A 76 5.170 -1.287 -3.288 1.00 0.00 N ATOM 696 CA THR A 76 6.283 -2.073 -2.772 1.00 0.00 C ATOM 697 C THR A 76 5.925 -2.725 -1.441 1.00 0.00 C ATOM 698 O THR A 76 5.498 -2.052 -0.503 1.00 0.00 O ATOM 699 CB THR A 76 7.542 -1.206 -2.583 1.00 0.00 C ATOM 700 OG1 THR A 76 8.164 -0.963 -3.849 1.00 0.00 O ATOM 701 CG2 THR A 76 8.532 -1.886 -1.649 1.00 0.00 C ATOM 0 H THR A 76 4.669 -0.750 -2.580 1.00 0.00 H new ATOM 0 HA THR A 76 6.491 -2.848 -3.509 1.00 0.00 H new ATOM 0 HB THR A 76 7.240 -0.258 -2.139 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.551 -1.219 -4.569 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.413 -1.255 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.065 -2.044 -0.677 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.828 -2.847 -2.070 1.00 0.00 H new ATOM 709 N VAL A 77 6.102 -4.041 -1.366 1.00 0.00 N ATOM 710 CA VAL A 77 5.799 -4.784 -0.149 1.00 0.00 C ATOM 711 C VAL A 77 7.037 -4.927 0.730 1.00 0.00 C ATOM 712 O VAL A 77 8.166 -4.919 0.238 1.00 0.00 O ATOM 713 CB VAL A 77 5.246 -6.185 -0.470 1.00 0.00 C ATOM 714 CG1 VAL A 77 3.983 -6.081 -1.311 1.00 0.00 C ATOM 715 CG2 VAL A 77 6.300 -7.024 -1.178 1.00 0.00 C ATOM 0 H VAL A 77 6.453 -4.614 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 77 5.039 -4.216 0.388 1.00 0.00 H new ATOM 0 HB VAL A 77 4.990 -6.679 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.607 -7.081 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.226 -5.520 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.209 -5.568 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.892 -8.011 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.589 -6.536 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.175 -7.127 -0.536 1.00 0.00 H new ATOM 725 N LEU A 78 6.817 -5.059 2.034 1.00 0.00 N ATOM 726 CA LEU A 78 7.915 -5.205 2.983 1.00 0.00 C ATOM 727 C LEU A 78 8.122 -6.670 3.355 1.00 0.00 C ATOM 728 O LEU A 78 7.163 -7.400 3.606 1.00 0.00 O ATOM 729 CB LEU A 78 7.639 -4.382 4.242 1.00 0.00 C ATOM 730 CG LEU A 78 7.419 -2.884 4.030 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.475 -2.328 5.085 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.746 -2.140 4.054 1.00 0.00 C ATOM 0 H LEU A 78 5.889 -5.068 2.458 1.00 0.00 H new ATOM 0 HA LEU A 78 8.825 -4.838 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.757 -4.792 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.476 -4.512 4.928 1.00 0.00 H new ATOM 0 HG LEU A 78 6.962 -2.739 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.331 -1.261 4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.514 -2.839 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.903 -2.486 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.569 -1.075 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.231 -2.293 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.390 -2.518 3.260 1.00 0.00 H new ATOM 744 N LYS A 79 9.381 -7.094 3.391 1.00 0.00 N ATOM 745 CA LYS A 79 9.716 -8.470 3.735 1.00 0.00 C ATOM 746 C LYS A 79 10.854 -8.516 4.750 1.00 0.00 C ATOM 747 O LYS A 79 11.768 -7.691 4.710 1.00 0.00 O ATOM 748 CB LYS A 79 10.108 -9.251 2.479 1.00 0.00 C ATOM 749 CG LYS A 79 9.069 -9.186 1.373 1.00 0.00 C ATOM 750 CD LYS A 79 9.082 -10.443 0.520 1.00 0.00 C ATOM 751 CE LYS A 79 8.233 -10.277 -0.731 1.00 0.00 C ATOM 752 NZ LYS A 79 8.764 -9.209 -1.623 1.00 0.00 N ATOM 0 H LYS A 79 10.187 -6.503 3.186 1.00 0.00 H new ATOM 0 HA LYS A 79 8.835 -8.930 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.054 -8.863 2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.276 -10.294 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.079 -9.052 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.260 -8.317 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.107 -10.681 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.710 -11.284 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.199 -11.221 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.209 -10.036 -0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.199 -9.172 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.710 -8.291 -1.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.755 -9.417 -1.861 1.00 0.00 H new ATOM 766 N ASP A 80 10.793 -9.484 5.658 1.00 0.00 N ATOM 767 CA ASP A 80 11.820 -9.638 6.682 1.00 0.00 C ATOM 768 C ASP A 80 13.213 -9.626 6.061 1.00 0.00 C ATOM 769 O ASP A 80 13.358 -9.639 4.838 1.00 0.00 O ATOM 770 CB ASP A 80 11.605 -10.938 7.458 1.00 0.00 C ATOM 771 CG ASP A 80 10.718 -10.747 8.673 1.00 0.00 C ATOM 772 OD1 ASP A 80 9.480 -10.805 8.519 1.00 0.00 O ATOM 773 OD2 ASP A 80 11.262 -10.541 9.778 1.00 0.00 O ATOM 0 H ASP A 80 10.043 -10.174 5.706 1.00 0.00 H new ATOM 0 HA ASP A 80 11.742 -8.796 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.158 -11.682 6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.570 -11.333 7.775 1.00 0.00 H new ATOM 778 N ARG A 81 14.234 -9.601 6.911 1.00 0.00 N ATOM 779 CA ARG A 81 15.615 -9.585 6.445 1.00 0.00 C ATOM 780 C ARG A 81 16.312 -10.904 6.765 1.00 0.00 C ATOM 781 O ARG A 81 17.026 -11.460 5.929 1.00 0.00 O ATOM 782 CB ARG A 81 16.379 -8.424 7.086 1.00 0.00 C ATOM 783 CG ARG A 81 16.439 -8.499 8.603 1.00 0.00 C ATOM 784 CD ARG A 81 16.508 -7.114 9.227 1.00 0.00 C ATOM 785 NE ARG A 81 16.001 -7.104 10.597 1.00 0.00 N ATOM 786 CZ ARG A 81 16.707 -7.519 11.644 1.00 0.00 C ATOM 787 NH1 ARG A 81 17.941 -7.972 11.478 1.00 0.00 N ATOM 788 NH2 ARG A 81 16.177 -7.479 12.859 1.00 0.00 N ATOM 0 H ARG A 81 14.131 -9.591 7.926 1.00 0.00 H new ATOM 0 HA ARG A 81 15.605 -9.452 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.395 -8.406 6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.908 -7.485 6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.561 -9.025 8.977 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.311 -9.079 8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.540 -6.765 9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.931 -6.415 8.622 1.00 0.00 H new ATOM 0 HE ARG A 81 15.054 -6.760 10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 81 18.352 -8.003 10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.480 -8.290 12.283 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.228 -7.130 12.990 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.719 -7.797 13.662 1.00 0.00 H new ATOM 802 N LEU A 82 16.100 -11.400 7.979 1.00 0.00 N ATOM 803 CA LEU A 82 16.708 -12.654 8.410 1.00 0.00 C ATOM 804 C LEU A 82 16.153 -13.830 7.614 1.00 0.00 C ATOM 805 O LEU A 82 16.890 -14.740 7.231 1.00 0.00 O ATOM 806 CB LEU A 82 16.465 -12.875 9.904 1.00 0.00 C ATOM 807 CG LEU A 82 17.278 -11.994 10.854 1.00 0.00 C ATOM 808 CD1 LEU A 82 16.717 -12.072 12.265 1.00 0.00 C ATOM 809 CD2 LEU A 82 18.744 -12.404 10.837 1.00 0.00 C ATOM 0 H LEU A 82 15.512 -10.953 8.682 1.00 0.00 H new ATOM 0 HA LEU A 82 17.781 -12.590 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.406 -12.713 10.107 1.00 0.00 H new ATOM 0 HB3 LEU A 82 16.679 -13.918 10.136 1.00 0.00 H new ATOM 0 HG LEU A 82 17.206 -10.961 10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 82 17.308 -11.439 12.927 1.00 0.00 H new ATOM 0 HD12 LEU A 82 15.682 -11.730 12.264 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.758 -13.103 12.617 1.00 0.00 H new ATOM 0 HD21 LEU A 82 19.308 -11.767 11.518 1.00 0.00 H new ATOM 0 HD22 LEU A 82 18.835 -13.443 11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.140 -12.296 9.827 1.00 0.00 H new ATOM 821 N THR A 83 14.847 -13.806 7.364 1.00 0.00 N ATOM 822 CA THR A 83 14.193 -14.869 6.612 1.00 0.00 C ATOM 823 C THR A 83 13.893 -14.428 5.184 1.00 0.00 C ATOM 824 O THR A 83 14.222 -15.127 4.226 1.00 0.00 O ATOM 825 CB THR A 83 12.880 -15.308 7.287 1.00 0.00 C ATOM 826 OG1 THR A 83 11.988 -14.193 7.397 1.00 0.00 O ATOM 827 CG2 THR A 83 13.149 -15.887 8.668 1.00 0.00 C ATOM 0 H THR A 83 14.222 -13.061 7.672 1.00 0.00 H new ATOM 0 HA THR A 83 14.883 -15.712 6.592 1.00 0.00 H new ATOM 0 HB THR A 83 12.421 -16.080 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.155 -14.481 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.207 -16.190 9.125 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.804 -16.754 8.578 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.629 -15.133 9.292 1.00 0.00 H new ATOM 835 N GLY A 84 13.268 -13.262 5.048 1.00 0.00 N ATOM 836 CA GLY A 84 12.936 -12.748 3.732 1.00 0.00 C ATOM 837 C GLY A 84 11.532 -13.123 3.300 1.00 0.00 C ATOM 838 O GLY A 84 11.240 -13.198 2.106 1.00 0.00 O ATOM 0 H GLY A 84 12.986 -12.665 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.034 -11.662 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.651 -13.132 3.004 1.00 0.00 H new ATOM 842 N LEU A 85 10.660 -13.362 4.274 1.00 0.00 N ATOM 843 CA LEU A 85 9.278 -13.734 3.989 1.00 0.00 C ATOM 844 C LEU A 85 8.353 -12.528 4.115 1.00 0.00 C ATOM 845 O LEU A 85 8.541 -11.675 4.983 1.00 0.00 O ATOM 846 CB LEU A 85 8.821 -14.843 4.938 1.00 0.00 C ATOM 847 CG LEU A 85 9.384 -16.237 4.661 1.00 0.00 C ATOM 848 CD1 LEU A 85 9.132 -17.159 5.844 1.00 0.00 C ATOM 849 CD2 LEU A 85 8.776 -16.816 3.393 1.00 0.00 C ATOM 0 H LEU A 85 10.885 -13.305 5.267 1.00 0.00 H new ATOM 0 HA LEU A 85 9.230 -14.100 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.093 -14.559 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.733 -14.899 4.903 1.00 0.00 H new ATOM 0 HG LEU A 85 10.461 -16.150 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.540 -18.147 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.616 -16.752 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.059 -17.240 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.189 -17.808 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.695 -16.888 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.008 -16.167 2.549 1.00 0.00 H new ATOM 861 N HIS A 86 7.351 -12.464 3.244 1.00 0.00 N ATOM 862 CA HIS A 86 6.393 -11.363 3.259 1.00 0.00 C ATOM 863 C HIS A 86 5.905 -11.088 4.678 1.00 0.00 C ATOM 864 O HIS A 86 5.015 -11.773 5.184 1.00 0.00 O ATOM 865 CB HIS A 86 5.205 -11.680 2.351 1.00 0.00 C ATOM 866 CG HIS A 86 4.397 -10.475 1.980 1.00 0.00 C ATOM 867 ND1 HIS A 86 3.801 -9.652 2.912 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.089 -9.954 0.769 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.159 -8.679 2.291 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.319 -8.838 0.989 1.00 0.00 N ATOM 0 H HIS A 86 7.181 -13.161 2.519 1.00 0.00 H new ATOM 0 HA HIS A 86 6.896 -10.471 2.887 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.570 -12.156 1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.558 -12.401 2.851 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.392 -10.343 -0.192 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.598 -7.888 2.767 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.934 -8.231 0.265 1.00 0.00 H new ATOM 879 N LYS A 87 6.492 -10.082 5.316 1.00 0.00 N ATOM 880 CA LYS A 87 6.118 -9.715 6.677 1.00 0.00 C ATOM 881 C LYS A 87 4.600 -9.672 6.830 1.00 0.00 C ATOM 882 O LYS A 87 4.035 -10.344 7.692 1.00 0.00 O ATOM 883 CB LYS A 87 6.717 -8.356 7.044 1.00 0.00 C ATOM 884 CG LYS A 87 8.227 -8.296 6.893 1.00 0.00 C ATOM 885 CD LYS A 87 8.848 -7.327 7.885 1.00 0.00 C ATOM 886 CE LYS A 87 8.535 -5.883 7.524 1.00 0.00 C ATOM 887 NZ LYS A 87 7.112 -5.539 7.797 1.00 0.00 N ATOM 0 H LYS A 87 7.230 -9.505 4.912 1.00 0.00 H new ATOM 0 HA LYS A 87 6.513 -10.473 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.267 -7.588 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.454 -8.119 8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.648 -9.290 7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.480 -7.991 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.476 -7.542 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.928 -7.471 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.185 -5.218 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.753 -5.717 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.047 -4.546 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.550 -5.674 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.744 -6.156 8.549 1.00 0.00 H new ATOM 901 N GLY A 88 3.947 -8.878 5.988 1.00 0.00 N ATOM 902 CA GLY A 88 2.502 -8.763 6.046 1.00 0.00 C ATOM 903 C GLY A 88 2.025 -7.335 5.869 1.00 0.00 C ATOM 904 O GLY A 88 1.116 -6.886 6.568 1.00 0.00 O ATOM 0 H GLY A 88 4.393 -8.312 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.060 -9.389 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.149 -9.144 7.004 1.00 0.00 H new ATOM 908 N CYS A 89 2.641 -6.619 4.935 1.00 0.00 N ATOM 909 CA CYS A 89 2.276 -5.232 4.670 1.00 0.00 C ATOM 910 C CYS A 89 2.969 -4.718 3.412 1.00 0.00 C ATOM 911 O CYS A 89 3.896 -5.346 2.902 1.00 0.00 O ATOM 912 CB CYS A 89 2.641 -4.350 5.865 1.00 0.00 C ATOM 913 SG CYS A 89 4.126 -4.883 6.749 1.00 0.00 S ATOM 0 H CYS A 89 3.395 -6.976 4.349 1.00 0.00 H new ATOM 0 HA CYS A 89 1.198 -5.189 4.512 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.786 -3.327 5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.802 -4.335 6.561 1.00 0.00 H new ATOM 0 HG CYS A 89 4.354 -4.074 7.741 1.00 0.00 H new ATOM 919 N ALA A 90 2.512 -3.573 2.917 1.00 0.00 N ATOM 920 CA ALA A 90 3.088 -2.974 1.719 1.00 0.00 C ATOM 921 C ALA A 90 2.775 -1.484 1.646 1.00 0.00 C ATOM 922 O ALA A 90 1.748 -1.029 2.149 1.00 0.00 O ATOM 923 CB ALA A 90 2.575 -3.685 0.475 1.00 0.00 C ATOM 0 H ALA A 90 1.744 -3.041 3.327 1.00 0.00 H new ATOM 0 HA ALA A 90 4.171 -3.089 1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.013 -3.228 -0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.855 -4.738 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.489 -3.600 0.429 1.00 0.00 H new ATOM 929 N PHE A 91 3.669 -0.727 1.017 1.00 0.00 N ATOM 930 CA PHE A 91 3.489 0.714 0.880 1.00 0.00 C ATOM 931 C PHE A 91 2.905 1.061 -0.487 1.00 0.00 C ATOM 932 O PHE A 91 3.523 0.809 -1.522 1.00 0.00 O ATOM 933 CB PHE A 91 4.823 1.437 1.075 1.00 0.00 C ATOM 934 CG PHE A 91 5.152 1.710 2.514 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.252 2.378 3.329 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.360 1.300 3.053 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.552 2.632 4.654 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.666 1.550 4.378 1.00 0.00 C ATOM 939 CZ PHE A 91 5.760 2.217 5.179 1.00 0.00 C ATOM 0 H PHE A 91 4.525 -1.087 0.595 1.00 0.00 H new ATOM 0 HA PHE A 91 2.790 1.043 1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.620 0.837 0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.798 2.381 0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.305 2.704 2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.072 0.778 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.842 3.155 5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.612 1.224 4.786 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.996 2.414 6.214 1.00 0.00 H new ATOM 949 N LEU A 92 1.709 1.640 -0.482 1.00 0.00 N ATOM 950 CA LEU A 92 1.039 2.022 -1.720 1.00 0.00 C ATOM 951 C LEU A 92 1.021 3.539 -1.884 1.00 0.00 C ATOM 952 O LEU A 92 0.589 4.266 -0.988 1.00 0.00 O ATOM 953 CB LEU A 92 -0.390 1.478 -1.739 1.00 0.00 C ATOM 954 CG LEU A 92 -1.326 2.085 -2.785 1.00 0.00 C ATOM 955 CD1 LEU A 92 -0.933 1.627 -4.181 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.771 1.714 -2.487 1.00 0.00 C ATOM 0 H LEU A 92 1.184 1.855 0.365 1.00 0.00 H new ATOM 0 HA LEU A 92 1.595 1.592 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.345 0.401 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.830 1.633 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.235 3.170 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.610 2.068 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.088 1.943 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.995 0.540 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.423 2.155 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.879 0.629 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.048 2.092 -1.503 1.00 0.00 H new ATOM 968 N THR A 93 1.490 4.010 -3.035 1.00 0.00 N ATOM 969 CA THR A 93 1.526 5.440 -3.317 1.00 0.00 C ATOM 970 C THR A 93 0.602 5.795 -4.476 1.00 0.00 C ATOM 971 O THR A 93 0.817 5.365 -5.609 1.00 0.00 O ATOM 972 CB THR A 93 2.954 5.910 -3.651 1.00 0.00 C ATOM 973 OG1 THR A 93 3.843 5.580 -2.578 1.00 0.00 O ATOM 974 CG2 THR A 93 2.986 7.411 -3.900 1.00 0.00 C ATOM 0 H THR A 93 1.850 3.422 -3.787 1.00 0.00 H new ATOM 0 HA THR A 93 1.185 5.949 -2.415 1.00 0.00 H new ATOM 0 HB THR A 93 3.277 5.400 -4.559 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.749 5.881 -2.800 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.005 7.719 -4.134 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.332 7.655 -4.737 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.644 7.935 -3.008 1.00 0.00 H new ATOM 982 N TYR A 94 -0.427 6.583 -4.185 1.00 0.00 N ATOM 983 CA TYR A 94 -1.386 6.995 -5.203 1.00 0.00 C ATOM 984 C TYR A 94 -0.914 8.258 -5.917 1.00 0.00 C ATOM 985 O TYR A 94 -0.385 9.178 -5.291 1.00 0.00 O ATOM 986 CB TYR A 94 -2.759 7.236 -4.573 1.00 0.00 C ATOM 987 CG TYR A 94 -3.631 6.001 -4.532 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.050 5.384 -5.705 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.036 5.452 -3.322 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.847 4.256 -5.672 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.832 4.324 -3.280 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.235 3.730 -4.458 1.00 0.00 C ATOM 993 OH TYR A 94 -6.029 2.606 -4.421 1.00 0.00 O ATOM 0 H TYR A 94 -0.618 6.949 -3.252 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.465 6.192 -5.936 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.623 7.609 -3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.275 8.016 -5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.748 5.793 -6.658 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.723 5.915 -2.398 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.164 3.789 -6.592 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.137 3.910 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.099 2.225 -5.321 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.108 8.295 -7.230 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.702 9.445 -8.031 1.00 0.00 C ATOM 1005 C CYS A 95 -1.390 10.716 -7.545 1.00 0.00 C ATOM 1006 O CYS A 95 -0.791 11.791 -7.531 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.029 9.206 -9.506 1.00 0.00 C ATOM 1008 SG CYS A 95 -2.771 8.843 -9.827 1.00 0.00 S ATOM 0 H CYS A 95 -1.544 7.542 -7.763 1.00 0.00 H new ATOM 0 HA CYS A 95 0.375 9.572 -7.921 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.741 10.088 -10.078 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.423 8.377 -9.872 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.038 7.628 -9.451 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.652 10.586 -7.149 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.421 11.724 -6.662 1.00 0.00 C ATOM 1016 C ALA A 96 -3.763 11.564 -5.185 1.00 0.00 C ATOM 1017 O ALA A 96 -3.580 10.491 -4.608 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.690 11.894 -7.484 1.00 0.00 C ATOM 0 H ALA A 96 -3.163 9.703 -7.156 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.808 12.619 -6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.255 12.748 -7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.427 12.063 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.299 10.993 -7.404 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.260 12.636 -4.577 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.625 12.615 -3.166 1.00 0.00 C ATOM 1026 C ARG A 97 -5.998 11.979 -2.970 1.00 0.00 C ATOM 1027 O ARG A 97 -6.174 11.108 -2.117 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.622 14.034 -2.595 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.632 14.958 -3.255 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.234 16.418 -3.102 1.00 0.00 C ATOM 1031 NE ARG A 97 -6.233 17.320 -3.669 1.00 0.00 N ATOM 1032 CZ ARG A 97 -5.998 18.598 -3.944 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -4.803 19.122 -3.705 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -6.958 19.355 -4.459 1.00 0.00 N ATOM 0 H ARG A 97 -4.419 13.531 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.886 12.016 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.830 13.987 -1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.625 14.460 -2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.715 14.711 -4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.615 14.799 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.097 16.647 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.275 16.585 -3.592 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.162 16.948 -3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.062 18.543 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.625 20.104 -3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.878 18.956 -4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.776 20.336 -4.670 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.968 12.420 -3.763 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.325 11.894 -3.677 1.00 0.00 C ATOM 1050 C ASP A 98 -8.327 10.373 -3.803 1.00 0.00 C ATOM 1051 O ASP A 98 -8.838 9.669 -2.933 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.204 12.510 -4.767 1.00 0.00 C ATOM 1053 CG ASP A 98 -9.207 14.025 -4.721 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -8.121 14.626 -4.862 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -10.295 14.610 -4.543 1.00 0.00 O ATOM 0 H ASP A 98 -6.840 13.141 -4.473 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.731 12.160 -2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.851 12.180 -5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.225 12.144 -4.656 1.00 0.00 H new ATOM 1060 N SER A 99 -7.754 9.874 -4.894 1.00 0.00 N ATOM 1061 CA SER A 99 -7.694 8.438 -5.136 1.00 0.00 C ATOM 1062 C SER A 99 -7.311 7.687 -3.864 1.00 0.00 C ATOM 1063 O SER A 99 -7.849 6.618 -3.576 1.00 0.00 O ATOM 1064 CB SER A 99 -6.688 8.128 -6.247 1.00 0.00 C ATOM 1065 OG SER A 99 -7.175 8.552 -7.508 1.00 0.00 O ATOM 0 H SER A 99 -7.325 10.443 -5.624 1.00 0.00 H new ATOM 0 HA SER A 99 -8.684 8.106 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.741 8.624 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.488 7.057 -6.272 1.00 0.00 H new ATOM 0 HG SER A 99 -6.514 8.344 -8.201 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.379 8.256 -3.107 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.925 7.643 -1.865 1.00 0.00 C ATOM 1073 C ALA A 100 -7.005 7.714 -0.791 1.00 0.00 C ATOM 1074 O ALA A 100 -7.385 6.696 -0.210 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.650 8.316 -1.379 1.00 0.00 C ATOM 0 H ALA A 100 -5.924 9.141 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.715 6.592 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.323 7.848 -0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.871 8.208 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.841 9.375 -1.204 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.496 8.920 -0.531 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.533 9.124 0.474 1.00 0.00 C ATOM 1083 C LEU A 101 -9.686 8.146 0.273 1.00 0.00 C ATOM 1084 O LEU A 101 -10.150 7.512 1.222 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.053 10.562 0.416 1.00 0.00 C ATOM 1086 CG LEU A 101 -7.995 11.662 0.512 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.555 12.985 0.014 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.496 11.797 1.943 1.00 0.00 C ATOM 0 H LEU A 101 -7.193 9.772 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.094 8.943 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.600 10.692 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.768 10.702 1.227 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.152 11.386 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.788 13.756 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.864 12.881 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.415 13.268 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.744 12.584 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.330 12.050 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.056 10.853 2.265 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.144 8.026 -0.968 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.240 7.123 -1.296 1.00 0.00 C ATOM 1102 C LYS A 102 -10.878 5.681 -0.954 1.00 0.00 C ATOM 1103 O LYS A 102 -11.458 5.084 -0.047 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.592 7.233 -2.782 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.891 8.652 -3.233 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.051 8.736 -4.741 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.496 8.516 -5.162 1.00 0.00 C ATOM 1108 NZ LYS A 102 -13.655 8.556 -6.642 1.00 0.00 N ATOM 0 H LYS A 102 -9.772 8.544 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.106 7.413 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.765 6.840 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.458 6.605 -2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.802 9.004 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.085 9.313 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.714 9.712 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.415 7.990 -5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.841 7.553 -4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.127 9.280 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.654 8.402 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.350 9.484 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.073 7.810 -7.074 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.916 5.128 -1.686 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.475 3.757 -1.457 1.00 0.00 C ATOM 1124 C ALA A 103 -9.185 3.513 0.020 1.00 0.00 C ATOM 1125 O ALA A 103 -9.386 2.410 0.527 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.243 3.453 -2.296 1.00 0.00 C ATOM 0 H ALA A 103 -9.428 5.608 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.281 3.087 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.924 2.426 -2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.482 3.578 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.439 4.136 -2.022 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.713 4.550 0.705 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.394 4.446 2.124 1.00 0.00 C ATOM 1134 C GLN A 104 -9.662 4.284 2.956 1.00 0.00 C ATOM 1135 O GLN A 104 -9.860 3.261 3.612 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.621 5.682 2.587 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.323 5.691 4.077 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.254 7.092 4.651 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -6.359 7.910 4.110 1.00 0.00 O flip ATOM 1140 NE2 GLN A 104 -7.998 7.436 5.570 1.00 0.00 N flip ATOM 0 H GLN A 104 -8.543 5.471 0.301 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.772 3.563 2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.682 5.740 2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.194 6.574 2.334 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.094 5.126 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.376 5.182 4.257 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.671 6.774 5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.941 8.383 5.945 1.00 0.00 H new ATOM 1149 N SER A 105 -10.519 5.300 2.925 1.00 0.00 N ATOM 1150 CA SER A 105 -11.766 5.272 3.679 1.00 0.00 C ATOM 1151 C SER A 105 -12.785 4.355 3.011 1.00 0.00 C ATOM 1152 O SER A 105 -13.888 4.159 3.519 1.00 0.00 O ATOM 1153 CB SER A 105 -12.341 6.684 3.807 1.00 0.00 C ATOM 1154 OG SER A 105 -13.396 6.722 4.753 1.00 0.00 O ATOM 0 H SER A 105 -10.372 6.153 2.385 1.00 0.00 H new ATOM 0 HA SER A 105 -11.551 4.883 4.674 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.553 7.375 4.108 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.706 7.021 2.837 1.00 0.00 H new ATOM 0 HG SER A 105 -13.947 5.917 4.661 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.406 3.794 1.867 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.285 2.895 1.128 1.00 0.00 C ATOM 1162 C ALA A 106 -12.918 1.437 1.384 1.00 0.00 C ATOM 1163 O ALA A 106 -13.733 0.537 1.179 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.225 3.204 -0.360 1.00 0.00 C ATOM 0 H ALA A 106 -11.496 3.946 1.432 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.305 3.053 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.886 2.525 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.543 4.233 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.203 3.076 -0.717 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.688 1.211 1.831 1.00 0.00 N ATOM 1171 CA LEU A 107 -11.213 -0.139 2.113 1.00 0.00 C ATOM 1172 C LEU A 107 -10.960 -0.326 3.606 1.00 0.00 C ATOM 1173 O LEU A 107 -11.305 -1.360 4.180 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.932 -0.425 1.328 1.00 0.00 C ATOM 1175 CG LEU A 107 -10.081 -0.511 -0.192 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.717 -0.497 -0.864 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.858 -1.760 -0.582 1.00 0.00 C ATOM 0 H LEU A 107 -11.001 1.945 2.006 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.986 -0.842 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.207 0.355 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.513 -1.365 1.686 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.639 0.361 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.843 -0.559 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.197 0.427 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.132 -1.349 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.954 -1.805 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -10.327 -2.644 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.850 -1.727 -0.131 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.358 0.681 4.230 1.00 0.00 N ATOM 1190 CA HIS A 108 -10.062 0.629 5.657 1.00 0.00 C ATOM 1191 C HIS A 108 -11.213 -0.010 6.428 1.00 0.00 C ATOM 1192 O HIS A 108 -12.288 0.576 6.555 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.791 2.034 6.195 1.00 0.00 C ATOM 1194 CG HIS A 108 -9.214 2.046 7.577 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.909 1.693 7.851 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.771 2.372 8.766 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.690 1.800 9.149 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.804 2.210 9.727 1.00 0.00 N ATOM 0 H HIS A 108 -10.066 1.543 3.770 1.00 0.00 H new ATOM 0 HA HIS A 108 -9.171 0.017 5.795 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -9.106 2.547 5.520 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.722 2.600 6.194 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.787 2.699 8.929 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.758 1.588 9.652 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.926 2.379 10.725 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.980 -1.215 6.939 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.999 -1.933 7.695 1.00 0.00 C ATOM 1208 C GLU A 109 -13.273 -2.099 6.871 1.00 0.00 C ATOM 1209 O GLU A 109 -14.380 -1.930 7.381 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.314 -1.195 8.998 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.088 -0.917 9.852 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.411 -0.855 11.332 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.191 0.034 11.733 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -10.883 -1.696 12.090 1.00 0.00 O ATOM 0 H GLU A 109 -10.095 -1.714 6.843 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.609 -2.923 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.803 -0.250 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.024 -1.785 9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.345 -1.695 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.640 0.027 9.542 1.00 0.00 H new ATOM 1221 N GLN A 110 -13.106 -2.430 5.595 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.241 -2.618 4.700 1.00 0.00 C ATOM 1223 C GLN A 110 -14.083 -3.894 3.880 1.00 0.00 C ATOM 1224 O GLN A 110 -15.027 -4.670 3.730 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.388 -1.413 3.768 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.282 -0.318 4.326 1.00 0.00 C ATOM 1227 CD GLN A 110 -14.880 1.063 3.848 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -13.616 1.416 4.051 1.00 0.00 O flip ATOM 1229 NE2 GLN A 110 -15.697 1.805 3.301 1.00 0.00 N flip ATOM 0 H GLN A 110 -12.196 -2.573 5.158 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.140 -2.709 5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.401 -0.997 3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.793 -1.750 2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.314 -0.513 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.248 -0.346 5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.659 1.493 3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.412 2.732 2.984 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.883 -4.105 3.349 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.600 -5.287 2.544 1.00 0.00 C ATOM 1240 C LYS A 111 -11.871 -6.344 3.368 1.00 0.00 C ATOM 1241 O LYS A 111 -11.480 -6.097 4.509 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.759 -4.908 1.323 1.00 0.00 C ATOM 1243 CG LYS A 111 -12.588 -4.537 0.105 1.00 0.00 C ATOM 1244 CD LYS A 111 -13.017 -5.769 -0.674 1.00 0.00 C ATOM 1245 CE LYS A 111 -11.977 -6.161 -1.713 1.00 0.00 C ATOM 1246 NZ LYS A 111 -12.304 -7.461 -2.361 1.00 0.00 N ATOM 0 H LYS A 111 -12.091 -3.472 3.462 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.550 -5.704 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.114 -4.068 1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.107 -5.743 1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.470 -3.979 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -12.010 -3.879 -0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.176 -6.599 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.970 -5.576 -1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.912 -5.383 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.997 -6.227 -1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.432 -7.900 -2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.749 -8.093 -1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.960 -7.299 -3.152 1.00 0.00 H new ATOM 1260 N THR A 112 -11.690 -7.524 2.781 1.00 0.00 N ATOM 1261 CA THR A 112 -11.009 -8.618 3.461 1.00 0.00 C ATOM 1262 C THR A 112 -10.411 -9.600 2.459 1.00 0.00 C ATOM 1263 O THR A 112 -11.136 -10.288 1.740 1.00 0.00 O ATOM 1264 CB THR A 112 -11.964 -9.379 4.400 1.00 0.00 C ATOM 1265 OG1 THR A 112 -12.663 -8.455 5.241 1.00 0.00 O ATOM 1266 CG2 THR A 112 -11.200 -10.375 5.258 1.00 0.00 C ATOM 0 H THR A 112 -12.006 -7.745 1.837 1.00 0.00 H new ATOM 0 HA THR A 112 -10.209 -8.173 4.053 1.00 0.00 H new ATOM 0 HB THR A 112 -12.681 -9.926 3.787 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.269 -8.946 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 112 -11.896 -10.900 5.913 1.00 0.00 H new ATOM 0 HG22 THR A 112 -10.693 -11.095 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.463 -9.845 5.862 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.084 -9.661 2.418 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.388 -10.560 1.504 1.00 0.00 C ATOM 1276 C LEU A 113 -8.711 -12.016 1.821 1.00 0.00 C ATOM 1277 O LEU A 113 -9.105 -12.362 2.936 1.00 0.00 O ATOM 1278 CB LEU A 113 -6.878 -10.331 1.584 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.340 -9.126 0.812 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -4.956 -8.744 1.315 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.304 -9.420 -0.680 1.00 0.00 C ATOM 0 H LEU A 113 -8.469 -9.099 3.007 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.729 -10.344 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.603 -10.218 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.375 -11.226 1.218 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.011 -8.283 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.589 -7.885 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.011 -8.490 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.275 -9.584 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.918 -8.551 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.656 -10.277 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.311 -9.643 -1.031 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.538 -12.893 0.821 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.803 -14.327 0.970 1.00 0.00 C ATOM 1295 C PRO A 114 -7.786 -15.013 1.877 1.00 0.00 C ATOM 1296 O PRO A 114 -6.628 -15.192 1.503 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.689 -14.860 -0.460 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.793 -13.892 -1.154 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.071 -12.551 -0.533 1.00 0.00 C ATOM 0 HA PRO A 114 -9.771 -14.516 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.272 -15.867 -0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.665 -14.912 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.747 -14.170 -1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.993 -13.875 -2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.177 -11.928 -0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.827 -11.998 -1.091 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.228 -15.395 3.072 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.344 -16.057 4.013 1.00 0.00 C ATOM 1309 C GLY A 115 -7.034 -15.195 5.221 1.00 0.00 C ATOM 1310 O GLY A 115 -6.138 -15.512 6.003 1.00 0.00 O ATOM 0 H GLY A 115 -9.182 -15.258 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.802 -16.989 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.414 -16.320 3.510 1.00 0.00 H new ATOM 1314 N MET A 116 -7.774 -14.102 5.372 1.00 0.00 N ATOM 1315 CA MET A 116 -7.573 -13.193 6.494 1.00 0.00 C ATOM 1316 C MET A 116 -8.866 -13.005 7.281 1.00 0.00 C ATOM 1317 O MET A 116 -9.887 -12.602 6.727 1.00 0.00 O ATOM 1318 CB MET A 116 -7.064 -11.839 5.995 1.00 0.00 C ATOM 1319 CG MET A 116 -5.591 -11.843 5.622 1.00 0.00 C ATOM 1320 SD MET A 116 -4.516 -12.146 7.038 1.00 0.00 S ATOM 1321 CE MET A 116 -3.226 -10.938 6.748 1.00 0.00 C ATOM 0 H MET A 116 -8.518 -13.824 4.732 1.00 0.00 H new ATOM 0 HA MET A 116 -6.827 -13.632 7.156 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.649 -11.538 5.126 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.232 -11.089 6.768 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.414 -12.608 4.866 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.332 -10.885 5.172 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.592 -10.864 7.631 1.00 0.00 H new ATOM 0 HE2 MET A 116 -2.624 -11.247 5.894 1.00 0.00 H new ATOM 0 HE3 MET A 116 -3.676 -9.967 6.542 1.00 0.00 H new ATOM 1331 N ASN A 117 -8.814 -13.301 8.576 1.00 0.00 N ATOM 1332 CA ASN A 117 -9.982 -13.165 9.439 1.00 0.00 C ATOM 1333 C ASN A 117 -10.342 -11.696 9.640 1.00 0.00 C ATOM 1334 O ASN A 117 -11.517 -11.343 9.740 1.00 0.00 O ATOM 1335 CB ASN A 117 -9.721 -13.828 10.793 1.00 0.00 C ATOM 1336 CG ASN A 117 -9.974 -15.323 10.763 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -9.072 -16.121 11.020 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -11.204 -15.709 10.447 1.00 0.00 N ATOM 0 H ASN A 117 -7.976 -13.636 9.051 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.821 -13.663 8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -8.689 -13.643 11.092 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.359 -13.369 11.548 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -11.433 -16.702 10.410 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -11.920 -15.012 10.242 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.323 -10.845 9.697 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.531 -9.415 9.887 1.00 0.00 C ATOM 1347 C ARG A 118 -9.581 -8.690 8.545 1.00 0.00 C ATOM 1348 O ARG A 118 -9.017 -9.140 7.547 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.418 -8.826 10.756 1.00 0.00 C ATOM 1350 CG ARG A 118 -8.422 -9.345 12.184 1.00 0.00 C ATOM 1351 CD ARG A 118 -7.261 -8.779 12.986 1.00 0.00 C ATOM 1352 NE ARG A 118 -7.493 -7.392 13.381 1.00 0.00 N ATOM 1353 CZ ARG A 118 -8.275 -7.038 14.395 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -8.895 -7.965 15.113 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -8.436 -5.756 14.694 1.00 0.00 N ATOM 0 H ARG A 118 -8.345 -11.121 9.614 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.487 -9.277 10.391 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.454 -9.051 10.299 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.517 -7.741 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.363 -9.079 12.666 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.364 -10.433 12.177 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.104 -9.388 13.876 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.348 -8.839 12.394 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.029 -6.655 12.849 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.772 -8.952 14.887 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -9.495 -7.691 15.891 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.959 -5.041 14.145 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -9.037 -5.485 15.473 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.271 -7.541 8.518 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.411 -6.729 7.305 1.00 0.00 C ATOM 1371 C PRO A 119 -9.100 -6.065 6.898 1.00 0.00 C ATOM 1372 O PRO A 119 -8.084 -6.205 7.580 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.445 -5.672 7.702 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.329 -5.567 9.184 1.00 0.00 C ATOM 1375 CD PRO A 119 -10.968 -6.944 9.670 1.00 0.00 C ATOM 0 HA PRO A 119 -10.705 -7.330 6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.239 -4.716 7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.450 -5.970 7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.566 -4.841 9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.267 -5.231 9.626 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.327 -6.904 10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -11.853 -7.518 9.946 1.00 0.00 H new ATOM 1383 N ILE A 120 -9.129 -5.342 5.783 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.943 -4.656 5.287 1.00 0.00 C ATOM 1385 C ILE A 120 -7.802 -3.275 5.919 1.00 0.00 C ATOM 1386 O ILE A 120 -8.685 -2.428 5.786 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.980 -4.505 3.755 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.961 -3.459 3.299 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -9.379 -4.125 3.293 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.872 -3.316 1.796 1.00 0.00 C ATOM 0 H ILE A 120 -9.961 -5.217 5.207 1.00 0.00 H new ATOM 0 HA ILE A 120 -7.085 -5.269 5.563 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.717 -5.462 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -7.224 -2.494 3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.979 -3.726 3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -9.388 -4.022 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -10.084 -4.902 3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.668 -3.179 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -6.130 -2.557 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.578 -4.269 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.843 -3.018 1.401 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.686 -3.056 6.606 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.429 -1.777 7.258 1.00 0.00 C ATOM 1404 C GLN A 121 -5.484 -0.921 6.423 1.00 0.00 C ATOM 1405 O GLN A 121 -4.348 -1.312 6.155 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.838 -2.001 8.651 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.880 -2.322 9.710 1.00 0.00 C ATOM 1408 CD GLN A 121 -7.316 -3.773 9.679 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -6.603 -4.637 9.167 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -8.492 -4.050 10.229 1.00 0.00 N ATOM 0 H GLN A 121 -5.945 -3.747 6.726 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.378 -1.249 7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -5.117 -2.817 8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.290 -1.108 8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -6.475 -2.089 10.695 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -7.750 -1.682 9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -9.050 -3.303 10.642 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -8.837 -5.010 10.238 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.961 0.251 6.013 1.00 0.00 N ATOM 1420 CA VAL A 122 -5.158 1.164 5.209 1.00 0.00 C ATOM 1421 C VAL A 122 -5.160 2.568 5.803 1.00 0.00 C ATOM 1422 O VAL A 122 -6.208 3.203 5.919 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.670 1.232 3.758 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.707 2.026 2.888 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.874 -0.168 3.199 1.00 0.00 C ATOM 0 H VAL A 122 -6.900 0.590 6.225 1.00 0.00 H new ATOM 0 HA VAL A 122 -4.140 0.774 5.210 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.632 1.744 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -5.086 2.063 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.616 3.040 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.729 1.545 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -6.236 -0.101 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.927 -0.708 3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.605 -0.700 3.808 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.979 3.047 6.179 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.843 4.377 6.761 1.00 0.00 C ATOM 1437 C LYS A 123 -2.748 5.170 6.055 1.00 0.00 C ATOM 1438 O LYS A 123 -1.804 4.610 5.498 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.530 4.273 8.255 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.313 3.418 8.564 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.304 2.964 10.014 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.541 1.659 10.184 1.00 0.00 C ATOM 1443 NZ LYS A 123 -0.073 1.886 10.298 1.00 0.00 N ATOM 0 H LYS A 123 -3.102 2.534 6.091 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.789 4.902 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.371 5.274 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.396 3.858 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.304 2.547 7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.406 3.985 8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.850 3.736 10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.329 2.836 10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.899 1.142 11.075 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.743 1.007 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.410 1.447 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.121 2.908 10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.276 1.461 11.181 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.873 6.505 6.080 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.901 7.403 5.449 1.00 0.00 C ATOM 1459 C PRO A 124 -0.564 7.417 6.181 1.00 0.00 C ATOM 1460 O PRO A 124 -0.319 8.275 7.028 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.575 8.775 5.539 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.497 8.667 6.704 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.973 7.241 6.726 1.00 0.00 C ATOM 0 HA PRO A 124 -1.664 7.096 4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.842 9.568 5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.119 9.010 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -2.985 8.921 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.335 9.356 6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.148 6.891 7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.910 7.122 6.183 1.00 0.00 H new ATOM 1471 N ALA A 125 0.298 6.461 5.848 1.00 0.00 N ATOM 1472 CA ALA A 125 1.611 6.366 6.473 1.00 0.00 C ATOM 1473 C ALA A 125 2.164 7.748 6.802 1.00 0.00 C ATOM 1474 O ALA A 125 2.549 8.019 7.939 1.00 0.00 O ATOM 1475 CB ALA A 125 2.573 5.612 5.567 1.00 0.00 C ATOM 0 H ALA A 125 0.110 5.742 5.149 1.00 0.00 H new ATOM 0 HA ALA A 125 1.502 5.816 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.550 5.548 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.191 4.607 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.668 6.140 4.618 1.00 0.00 H new