USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 729 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 Single : A 9 HIS : no HD1:sc=-0.00803 X(o=-0.008,f=-0.008) USER MOD Single : A 11 HIS : no HE2:sc= -0.56 X(o=-0.56,f=-0.086) USER MOD Single : A 21 GLN : amide:sc= -0.084 X(o=-0.084,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.521 K(o=-0.52,f=-1.6!) USER MOD Single : A 26 HIS : no HD1:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 29 TYR OH : rot -152:sc= -0.753 USER MOD Single : A 33 GLN : amide:sc= -0.45 K(o=-0.45,f=-1.2) USER MOD Single : A 34 ASN : amide:sc= -3.31! C(o=-3.3!,f=-6.8!) USER MOD Single : A 37 SER OG : rot -45:sc= 0.16 USER MOD Single : A 40 TYR OH : rot -156:sc=-0.00594 USER MOD Single : A 42 HIS : no HE2:sc= -0.705 X(o=-0.7,f=-0.69) USER MOD Single : A 45 MET CE :methyl -174:sc= -0.935 (180deg=-1.12) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0405) USER MOD Single : A 55 SER OG : rot 35:sc= 0.222 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 67 ASN : amide:sc= -0.699 K(o=-0.7,f=-2.8!) USER MOD Single : A 70 SER OG : rot 59:sc= 0.0966 USER MOD Single : A 73 THR OG1 : rot 92:sc= 0.211 USER MOD Single : A 77 GLN : amide:sc= -0.325 K(o=-0.32,f=-3.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2.6) USER MOD Single : A 95 TYR OH : rot 26:sc= 0.386 USER MOD Single : A 98 MET CE :methyl -108:sc= -0.229 (180deg=-2.52) USER MOD Single : A 105 LYS NZ :NH3+ -172:sc=-0.000492 (180deg=-0.0651) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -5.725 10.245 -3.513 1.00 0.00 N ATOM 63 CA PHE A 5 -4.427 9.772 -3.021 1.00 0.00 C ATOM 64 C PHE A 5 -3.754 10.884 -2.213 1.00 0.00 C ATOM 65 O PHE A 5 -3.808 12.059 -2.590 1.00 0.00 O ATOM 66 CB PHE A 5 -3.527 9.337 -4.213 1.00 0.00 C ATOM 67 CG PHE A 5 -2.134 8.824 -3.821 1.00 0.00 C ATOM 68 CD1 PHE A 5 -1.991 7.744 -2.949 1.00 0.00 C ATOM 69 CD2 PHE A 5 -0.974 9.406 -4.337 1.00 0.00 C ATOM 70 CE1 PHE A 5 -0.741 7.267 -2.602 1.00 0.00 C ATOM 71 CE2 PHE A 5 0.275 8.929 -3.988 1.00 0.00 C ATOM 72 CZ PHE A 5 0.392 7.857 -3.124 1.00 0.00 C ATOM 0 HA PHE A 5 -4.577 8.906 -2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.042 8.555 -4.771 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.409 10.185 -4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.872 7.273 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.054 10.240 -5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.651 6.433 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.162 9.395 -4.391 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.369 7.481 -2.858 1.00 0.00 H new ATOM 82 N GLU A 6 -3.119 10.486 -1.110 1.00 0.00 N ATOM 83 CA GLU A 6 -2.352 11.380 -0.240 1.00 0.00 C ATOM 84 C GLU A 6 -1.264 10.563 0.487 1.00 0.00 C ATOM 85 O GLU A 6 -1.428 9.346 0.668 1.00 0.00 O ATOM 86 CB GLU A 6 -3.276 12.101 0.789 1.00 0.00 C ATOM 87 CG GLU A 6 -4.023 11.170 1.773 1.00 0.00 C ATOM 88 CD GLU A 6 -4.819 11.941 2.840 1.00 0.00 C ATOM 89 OE1 GLU A 6 -5.979 12.322 2.574 1.00 0.00 O ATOM 90 OE2 GLU A 6 -4.280 12.182 3.945 1.00 0.00 O ATOM 0 H GLU A 6 -3.123 9.517 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.884 12.152 -0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.672 12.802 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.012 12.689 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.703 10.528 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.302 10.517 2.266 1.00 0.00 H new ATOM 97 N PRO A 7 -0.110 11.200 0.859 1.00 0.00 N ATOM 98 CA PRO A 7 0.881 10.588 1.769 1.00 0.00 C ATOM 99 C PRO A 7 0.252 10.175 3.125 1.00 0.00 C ATOM 100 O PRO A 7 0.130 10.984 4.048 1.00 0.00 O ATOM 101 CB PRO A 7 1.961 11.690 1.922 1.00 0.00 C ATOM 102 CG PRO A 7 1.840 12.492 0.664 1.00 0.00 C ATOM 103 CD PRO A 7 0.359 12.523 0.366 1.00 0.00 C ATOM 0 HA PRO A 7 1.293 9.656 1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.783 12.303 2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.957 11.261 2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.238 13.498 0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.398 12.034 -0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.139 13.345 0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.164 12.649 -0.699 1.00 0.00 H new ATOM 111 N GLY A 8 -0.186 8.906 3.194 1.00 0.00 N ATOM 112 CA GLY A 8 -0.864 8.348 4.367 1.00 0.00 C ATOM 113 C GLY A 8 -1.918 7.312 3.977 1.00 0.00 C ATOM 114 O GLY A 8 -2.034 6.253 4.624 1.00 0.00 O ATOM 0 H GLY A 8 -0.077 8.238 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.129 7.887 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.337 9.153 4.930 1.00 0.00 H new ATOM 118 N HIS A 9 -2.671 7.605 2.891 1.00 0.00 N ATOM 119 CA HIS A 9 -3.841 6.799 2.474 1.00 0.00 C ATOM 120 C HIS A 9 -4.122 6.934 0.959 1.00 0.00 C ATOM 121 O HIS A 9 -3.960 8.011 0.378 1.00 0.00 O ATOM 122 CB HIS A 9 -5.090 7.249 3.288 1.00 0.00 C ATOM 123 CG HIS A 9 -6.398 6.662 2.825 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.304 7.372 2.074 1.00 0.00 N ATOM 125 CD2 HIS A 9 -6.932 5.427 2.981 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.326 6.608 1.779 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.131 5.419 2.315 1.00 0.00 N ATOM 0 H HIS A 9 -2.486 8.402 2.283 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.621 5.750 2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.939 6.981 4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.161 8.336 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.496 4.604 3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.185 6.903 1.194 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.767 4.624 2.246 1.00 0.00 H new ATOM 136 N LEU A 10 -4.567 5.818 0.349 1.00 0.00 N ATOM 137 CA LEU A 10 -5.076 5.759 -1.034 1.00 0.00 C ATOM 138 C LEU A 10 -6.469 5.097 -1.025 1.00 0.00 C ATOM 139 O LEU A 10 -6.674 4.087 -0.338 1.00 0.00 O ATOM 140 CB LEU A 10 -4.094 4.933 -1.923 1.00 0.00 C ATOM 141 CG LEU A 10 -4.572 4.565 -3.373 1.00 0.00 C ATOM 142 CD1 LEU A 10 -4.925 5.816 -4.212 1.00 0.00 C ATOM 143 CD2 LEU A 10 -3.515 3.696 -4.096 1.00 0.00 C ATOM 0 H LEU A 10 -4.583 4.911 0.816 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.154 6.766 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.163 5.493 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.863 4.006 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.488 3.984 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.250 5.508 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.728 6.368 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.046 6.455 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.868 3.453 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.577 4.246 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.355 2.775 -3.535 1.00 0.00 H new ATOM 155 N HIS A 11 -7.433 5.688 -1.756 1.00 0.00 N ATOM 156 CA HIS A 11 -8.710 5.025 -2.071 1.00 0.00 C ATOM 157 C HIS A 11 -8.590 4.451 -3.495 1.00 0.00 C ATOM 158 O HIS A 11 -8.457 5.206 -4.473 1.00 0.00 O ATOM 159 CB HIS A 11 -9.906 6.017 -1.970 1.00 0.00 C ATOM 160 CG HIS A 11 -11.287 5.394 -2.145 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.434 6.147 -2.272 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.702 4.095 -2.173 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.480 5.350 -2.366 1.00 0.00 C ATOM 164 NE2 HIS A 11 -13.068 4.098 -2.308 1.00 0.00 N ATOM 0 H HIS A 11 -7.349 6.629 -2.141 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.907 4.230 -1.352 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.868 6.508 -0.998 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.778 6.793 -2.725 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -12.469 7.166 -2.290 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.070 3.222 -2.102 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.506 5.670 -2.473 1.00 0.00 H new ATOM 173 N LEU A 12 -8.646 3.121 -3.589 1.00 0.00 N ATOM 174 CA LEU A 12 -8.414 2.386 -4.829 1.00 0.00 C ATOM 175 C LEU A 12 -9.782 2.059 -5.461 1.00 0.00 C ATOM 176 O LEU A 12 -10.557 1.269 -4.919 1.00 0.00 O ATOM 177 CB LEU A 12 -7.578 1.104 -4.498 1.00 0.00 C ATOM 178 CG LEU A 12 -6.759 0.428 -5.651 1.00 0.00 C ATOM 179 CD1 LEU A 12 -7.650 -0.232 -6.715 1.00 0.00 C ATOM 180 CD2 LEU A 12 -5.776 1.428 -6.291 1.00 0.00 C ATOM 0 H LEU A 12 -8.857 2.518 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.845 2.971 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.880 1.360 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.262 0.357 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.185 -0.376 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.024 -0.682 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.263 -1.004 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.296 0.521 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.221 0.933 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.331 2.270 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.080 1.789 -5.534 1.00 0.00 H new ATOM 192 N VAL A 13 -10.065 2.725 -6.585 1.00 0.00 N ATOM 193 CA VAL A 13 -11.261 2.506 -7.421 1.00 0.00 C ATOM 194 C VAL A 13 -10.794 2.501 -8.881 1.00 0.00 C ATOM 195 O VAL A 13 -9.969 3.339 -9.251 1.00 0.00 O ATOM 196 CB VAL A 13 -12.354 3.633 -7.184 1.00 0.00 C ATOM 197 CG1 VAL A 13 -13.494 3.583 -8.231 1.00 0.00 C ATOM 198 CG2 VAL A 13 -12.941 3.553 -5.751 1.00 0.00 C ATOM 0 H VAL A 13 -9.454 3.454 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.734 1.559 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.841 4.588 -7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.214 4.374 -8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.078 3.724 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.993 2.615 -8.179 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.686 4.337 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.408 2.579 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.141 3.686 -5.022 1.00 0.00 H new ATOM 307 N GLN A 21 -17.450 -1.946 -14.548 1.00 0.00 N ATOM 308 CA GLN A 21 -17.144 -2.620 -13.261 1.00 0.00 C ATOM 309 C GLN A 21 -17.055 -1.574 -12.135 1.00 0.00 C ATOM 310 O GLN A 21 -16.707 -0.409 -12.389 1.00 0.00 O ATOM 311 CB GLN A 21 -15.840 -3.489 -13.364 1.00 0.00 C ATOM 312 CG GLN A 21 -14.550 -2.892 -12.756 1.00 0.00 C ATOM 313 CD GLN A 21 -13.355 -3.841 -12.866 1.00 0.00 C ATOM 314 OE1 GLN A 21 -12.580 -3.780 -13.815 1.00 0.00 O ATOM 315 NE2 GLN A 21 -13.235 -4.766 -11.923 1.00 0.00 N ATOM 0 HA GLN A 21 -17.954 -3.309 -13.022 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.032 -4.446 -12.879 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.653 -3.697 -14.418 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.314 -1.956 -13.262 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -14.724 -2.653 -11.707 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.895 -4.791 -11.146 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.482 -5.452 -11.975 1.00 0.00 H new ATOM 324 N ASP A 22 -17.392 -1.987 -10.900 1.00 0.00 N ATOM 325 CA ASP A 22 -17.385 -1.100 -9.722 1.00 0.00 C ATOM 326 C ASP A 22 -16.558 -1.736 -8.632 1.00 0.00 C ATOM 327 O ASP A 22 -17.020 -2.674 -8.018 1.00 0.00 O ATOM 328 CB ASP A 22 -18.830 -0.883 -9.192 1.00 0.00 C ATOM 329 CG ASP A 22 -18.905 0.120 -8.015 1.00 0.00 C ATOM 330 OD1 ASP A 22 -19.032 1.341 -8.266 1.00 0.00 O ATOM 331 OD2 ASP A 22 -18.815 -0.300 -6.832 1.00 0.00 O ATOM 0 H ASP A 22 -17.677 -2.944 -10.690 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.964 -0.137 -10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.459 -0.524 -10.007 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.240 -1.841 -8.871 1.00 0.00 H new ATOM 336 N ILE A 23 -15.328 -1.265 -8.401 1.00 0.00 N ATOM 337 CA ILE A 23 -14.498 -1.753 -7.285 1.00 0.00 C ATOM 338 C ILE A 23 -14.166 -0.567 -6.369 1.00 0.00 C ATOM 339 O ILE A 23 -14.086 0.577 -6.839 1.00 0.00 O ATOM 340 CB ILE A 23 -13.205 -2.499 -7.816 1.00 0.00 C ATOM 341 CG1 ILE A 23 -12.112 -1.529 -8.400 1.00 0.00 C ATOM 342 CG2 ILE A 23 -13.611 -3.550 -8.877 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.015 -1.133 -7.422 1.00 0.00 C ATOM 0 H ILE A 23 -14.881 -0.546 -8.970 1.00 0.00 H new ATOM 0 HA ILE A 23 -15.048 -2.494 -6.705 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.747 -2.986 -6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.652 -2.004 -9.266 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.604 -0.624 -8.757 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.720 -4.062 -9.241 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -14.289 -4.276 -8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.110 -3.053 -9.709 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.311 -0.464 -7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.457 -0.625 -6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.490 -2.026 -7.083 1.00 0.00 H new ATOM 355 N ASN A 24 -14.005 -0.841 -5.070 1.00 0.00 N ATOM 356 CA ASN A 24 -13.730 0.191 -4.052 1.00 0.00 C ATOM 357 C ASN A 24 -12.971 -0.432 -2.868 1.00 0.00 C ATOM 358 O ASN A 24 -13.452 -1.365 -2.222 1.00 0.00 O ATOM 359 CB ASN A 24 -15.037 0.902 -3.608 1.00 0.00 C ATOM 360 CG ASN A 24 -16.123 -0.042 -3.099 1.00 0.00 C ATOM 361 OD1 ASN A 24 -16.220 -0.308 -1.900 1.00 0.00 O ATOM 362 ND2 ASN A 24 -16.939 -0.563 -4.007 1.00 0.00 N ATOM 0 H ASN A 24 -14.061 -1.786 -4.689 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.093 0.961 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.798 1.619 -2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.432 1.471 -4.450 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.676 -1.207 -3.720 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.829 -0.320 -4.991 1.00 0.00 H new ATOM 369 N ILE A 25 -11.766 0.098 -2.599 1.00 0.00 N ATOM 370 CA ILE A 25 -10.789 -0.515 -1.673 1.00 0.00 C ATOM 371 C ILE A 25 -10.125 0.582 -0.823 1.00 0.00 C ATOM 372 O ILE A 25 -9.825 1.668 -1.317 1.00 0.00 O ATOM 373 CB ILE A 25 -9.677 -1.338 -2.442 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.322 -2.384 -3.413 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.706 -2.041 -1.454 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.353 -3.061 -4.353 1.00 0.00 C ATOM 0 H ILE A 25 -11.437 0.968 -3.018 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.331 -1.211 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.099 -0.629 -3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.824 -3.148 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.090 -1.884 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.955 -2.597 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.214 -1.293 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.267 -2.727 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.892 -3.767 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.868 -2.311 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.598 -3.594 -3.775 1.00 0.00 H new ATOM 388 N HIS A 26 -9.898 0.272 0.452 1.00 0.00 N ATOM 389 CA HIS A 26 -9.308 1.189 1.434 1.00 0.00 C ATOM 390 C HIS A 26 -7.848 0.758 1.655 1.00 0.00 C ATOM 391 O HIS A 26 -7.619 -0.325 2.192 1.00 0.00 O ATOM 392 CB HIS A 26 -10.094 1.105 2.781 1.00 0.00 C ATOM 393 CG HIS A 26 -11.601 1.061 2.666 1.00 0.00 C ATOM 394 ND1 HIS A 26 -12.385 0.188 3.397 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.466 1.792 1.932 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.652 0.389 3.116 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.730 1.359 2.232 1.00 0.00 N ATOM 0 H HIS A 26 -10.123 -0.643 0.843 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.355 2.216 1.073 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.764 0.215 3.317 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.821 1.965 3.393 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -12.208 2.576 1.235 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.487 -0.150 3.539 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.593 1.729 1.834 1.00 0.00 H new ATOM 406 N ILE A 27 -6.865 1.578 1.233 1.00 0.00 N ATOM 407 CA ILE A 27 -5.429 1.235 1.370 1.00 0.00 C ATOM 408 C ILE A 27 -4.778 2.187 2.389 1.00 0.00 C ATOM 409 O ILE A 27 -4.634 3.386 2.142 1.00 0.00 O ATOM 410 CB ILE A 27 -4.665 1.284 -0.013 1.00 0.00 C ATOM 411 CG1 ILE A 27 -5.308 0.273 -1.030 1.00 0.00 C ATOM 412 CG2 ILE A 27 -3.146 1.006 0.166 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.592 0.153 -2.374 1.00 0.00 C ATOM 0 H ILE A 27 -7.036 2.483 0.794 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.356 0.207 1.726 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.765 2.291 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.341 -0.712 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.340 0.574 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.652 1.047 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.714 1.758 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.006 0.017 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.115 -0.569 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.582 1.124 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.568 -0.182 -2.212 1.00 0.00 H new ATOM 425 N ARG A 28 -4.433 1.620 3.550 1.00 0.00 N ATOM 426 CA ARG A 28 -3.760 2.316 4.660 1.00 0.00 C ATOM 427 C ARG A 28 -2.334 1.764 4.759 1.00 0.00 C ATOM 428 O ARG A 28 -2.162 0.551 4.894 1.00 0.00 O ATOM 429 CB ARG A 28 -4.487 2.067 6.028 1.00 0.00 C ATOM 430 CG ARG A 28 -5.884 2.715 6.215 1.00 0.00 C ATOM 431 CD ARG A 28 -6.961 2.175 5.262 1.00 0.00 C ATOM 432 NE ARG A 28 -7.031 0.700 5.267 1.00 0.00 N ATOM 433 CZ ARG A 28 -8.123 -0.025 5.508 1.00 0.00 C ATOM 434 NH1 ARG A 28 -9.259 0.540 5.907 1.00 0.00 N ATOM 435 NH2 ARG A 28 -8.072 -1.333 5.372 1.00 0.00 N ATOM 0 H ARG A 28 -4.618 0.637 3.752 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.771 3.388 4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.593 0.991 6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.838 2.427 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.211 2.556 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.795 3.792 6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.931 2.583 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.754 2.522 4.250 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.169 0.192 5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.308 1.551 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.081 -0.037 6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.203 -1.782 5.085 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.902 -1.897 5.554 1.00 0.00 H new ATOM 449 N TYR A 29 -1.317 2.632 4.687 1.00 0.00 N ATOM 450 CA TYR A 29 0.081 2.222 4.892 1.00 0.00 C ATOM 451 C TYR A 29 0.671 3.021 6.069 1.00 0.00 C ATOM 452 O TYR A 29 0.546 4.254 6.121 1.00 0.00 O ATOM 453 CB TYR A 29 0.902 2.361 3.579 1.00 0.00 C ATOM 454 CG TYR A 29 1.179 3.791 3.094 1.00 0.00 C ATOM 455 CD1 TYR A 29 0.253 4.479 2.309 1.00 0.00 C ATOM 456 CD2 TYR A 29 2.378 4.443 3.415 1.00 0.00 C ATOM 457 CE1 TYR A 29 0.513 5.758 1.866 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.636 5.715 2.974 1.00 0.00 C ATOM 459 CZ TYR A 29 1.704 6.366 2.202 1.00 0.00 C ATOM 460 OH TYR A 29 1.974 7.626 1.755 1.00 0.00 O ATOM 0 H TYR A 29 -1.435 3.625 4.488 1.00 0.00 H new ATOM 0 HA TYR A 29 0.128 1.165 5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.858 1.857 3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.374 1.829 2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.680 4.003 2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.112 3.933 4.021 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.212 6.281 1.259 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.565 6.202 3.231 1.00 0.00 H new ATOM 0 HH TYR A 29 2.944 7.746 1.682 1.00 0.00 H new ATOM 470 N GLU A 30 1.265 2.304 7.037 1.00 0.00 N ATOM 471 CA GLU A 30 1.763 2.894 8.294 1.00 0.00 C ATOM 472 C GLU A 30 3.274 2.653 8.400 1.00 0.00 C ATOM 473 O GLU A 30 3.702 1.508 8.545 1.00 0.00 O ATOM 474 CB GLU A 30 1.045 2.212 9.501 1.00 0.00 C ATOM 475 CG GLU A 30 -0.496 2.178 9.413 1.00 0.00 C ATOM 476 CD GLU A 30 -1.130 1.312 10.513 1.00 0.00 C ATOM 477 OE1 GLU A 30 -1.209 0.076 10.335 1.00 0.00 O ATOM 478 OE2 GLU A 30 -1.513 1.852 11.574 1.00 0.00 O ATOM 0 H GLU A 30 1.414 1.297 6.971 1.00 0.00 H new ATOM 0 HA GLU A 30 1.561 3.965 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.411 1.189 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.330 2.733 10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.883 3.194 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.792 1.794 8.437 1.00 0.00 H new ATOM 485 N VAL A 31 4.079 3.724 8.339 1.00 0.00 N ATOM 486 CA VAL A 31 5.537 3.610 8.508 1.00 0.00 C ATOM 487 C VAL A 31 5.848 3.452 10.007 1.00 0.00 C ATOM 488 O VAL A 31 5.590 4.363 10.807 1.00 0.00 O ATOM 489 CB VAL A 31 6.291 4.843 7.887 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.825 4.754 8.105 1.00 0.00 C ATOM 491 CG2 VAL A 31 5.954 4.973 6.380 1.00 0.00 C ATOM 0 H VAL A 31 3.748 4.675 8.175 1.00 0.00 H new ATOM 0 HA VAL A 31 5.895 2.732 7.970 1.00 0.00 H new ATOM 0 HB VAL A 31 5.946 5.738 8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.307 5.625 7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.040 4.726 9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.207 3.848 7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.482 5.830 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.263 4.067 5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.880 5.114 6.258 1.00 0.00 H new ATOM 501 N ARG A 32 6.403 2.292 10.353 1.00 0.00 N ATOM 502 CA ARG A 32 6.589 1.848 11.743 1.00 0.00 C ATOM 503 C ARG A 32 7.893 1.042 11.833 1.00 0.00 C ATOM 504 O ARG A 32 8.477 0.690 10.804 1.00 0.00 O ATOM 505 CB ARG A 32 5.370 0.976 12.163 1.00 0.00 C ATOM 506 CG ARG A 32 5.291 0.611 13.669 1.00 0.00 C ATOM 507 CD ARG A 32 4.344 -0.560 13.927 1.00 0.00 C ATOM 508 NE ARG A 32 4.099 -0.775 15.370 1.00 0.00 N ATOM 509 CZ ARG A 32 2.888 -0.781 15.965 1.00 0.00 C ATOM 510 NH1 ARG A 32 1.782 -0.528 15.270 1.00 0.00 N ATOM 511 NH2 ARG A 32 2.798 -1.014 17.270 1.00 0.00 N ATOM 0 H ARG A 32 6.744 1.619 9.667 1.00 0.00 H new ATOM 0 HA ARG A 32 6.655 2.703 12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.457 1.504 11.888 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.391 0.052 11.585 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.287 0.359 14.033 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.955 1.480 14.235 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.395 -0.375 13.423 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.764 -1.467 13.493 1.00 0.00 H new ATOM 0 HE ARG A 32 4.913 -0.932 15.964 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.842 -0.326 14.272 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.874 -0.537 15.735 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.642 -1.187 17.817 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.885 -1.020 17.725 1.00 0.00 H new ATOM 525 N GLN A 33 8.369 0.768 13.057 1.00 0.00 N ATOM 526 CA GLN A 33 9.597 -0.011 13.277 1.00 0.00 C ATOM 527 C GLN A 33 9.262 -1.384 13.909 1.00 0.00 C ATOM 528 O GLN A 33 8.638 -1.452 14.970 1.00 0.00 O ATOM 529 CB GLN A 33 10.586 0.777 14.182 1.00 0.00 C ATOM 530 CG GLN A 33 10.869 2.245 13.776 1.00 0.00 C ATOM 531 CD GLN A 33 11.500 2.404 12.393 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.718 2.322 12.243 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.688 2.690 11.386 1.00 0.00 N ATOM 0 H GLN A 33 7.917 1.078 13.917 1.00 0.00 H new ATOM 0 HA GLN A 33 10.074 -0.183 12.312 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.196 0.773 15.200 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.534 0.239 14.202 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.934 2.804 13.802 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.529 2.694 14.518 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.682 2.751 11.543 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.069 2.849 10.453 1.00 0.00 H new ATOM 542 N ASN A 34 9.658 -2.467 13.216 1.00 0.00 N ATOM 543 CA ASN A 34 9.566 -3.863 13.712 1.00 0.00 C ATOM 544 C ASN A 34 10.932 -4.332 14.245 1.00 0.00 C ATOM 545 O ASN A 34 11.977 -3.841 13.809 1.00 0.00 O ATOM 546 CB ASN A 34 9.059 -4.826 12.592 1.00 0.00 C ATOM 547 CG ASN A 34 10.038 -5.053 11.424 1.00 0.00 C ATOM 548 OD1 ASN A 34 10.483 -6.169 11.189 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.366 -4.011 10.670 1.00 0.00 N ATOM 0 H ASN A 34 10.058 -2.402 12.280 1.00 0.00 H new ATOM 0 HA ASN A 34 8.843 -3.885 14.528 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.828 -5.791 13.043 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.126 -4.430 12.191 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.999 -4.133 9.879 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.985 -3.089 10.881 1.00 0.00 H new ATOM 556 N ALA A 35 10.913 -5.288 15.183 1.00 0.00 N ATOM 557 CA ALA A 35 12.140 -5.841 15.803 1.00 0.00 C ATOM 558 C ALA A 35 12.932 -6.742 14.820 1.00 0.00 C ATOM 559 O ALA A 35 14.148 -6.916 14.964 1.00 0.00 O ATOM 560 CB ALA A 35 11.764 -6.622 17.072 1.00 0.00 C ATOM 0 H ALA A 35 10.052 -5.704 15.538 1.00 0.00 H new ATOM 0 HA ALA A 35 12.793 -5.009 16.066 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.666 -7.029 17.529 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.270 -5.954 17.777 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.089 -7.437 16.811 1.00 0.00 H new ATOM 566 N GLU A 36 12.217 -7.295 13.830 1.00 0.00 N ATOM 567 CA GLU A 36 12.745 -8.296 12.885 1.00 0.00 C ATOM 568 C GLU A 36 13.707 -7.673 11.849 1.00 0.00 C ATOM 569 O GLU A 36 14.823 -8.168 11.652 1.00 0.00 O ATOM 570 CB GLU A 36 11.550 -9.004 12.185 1.00 0.00 C ATOM 571 CG GLU A 36 11.911 -10.092 11.155 1.00 0.00 C ATOM 572 CD GLU A 36 12.716 -11.260 11.756 1.00 0.00 C ATOM 573 OE1 GLU A 36 12.141 -12.040 12.550 1.00 0.00 O ATOM 574 OE2 GLU A 36 13.924 -11.410 11.443 1.00 0.00 O ATOM 0 H GLU A 36 11.240 -7.057 13.659 1.00 0.00 H new ATOM 0 HA GLU A 36 13.331 -9.026 13.443 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.921 -9.455 12.953 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.948 -8.245 11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.994 -10.482 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.487 -9.641 10.348 1.00 0.00 H new ATOM 581 N SER A 37 13.277 -6.570 11.213 1.00 0.00 N ATOM 582 CA SER A 37 13.966 -5.986 10.042 1.00 0.00 C ATOM 583 C SER A 37 14.113 -4.453 10.187 1.00 0.00 C ATOM 584 O SER A 37 14.388 -3.743 9.203 1.00 0.00 O ATOM 585 CB SER A 37 13.165 -6.343 8.767 1.00 0.00 C ATOM 586 OG SER A 37 13.890 -6.048 7.578 1.00 0.00 O ATOM 0 H SER A 37 12.442 -6.056 11.494 1.00 0.00 H new ATOM 0 HA SER A 37 14.972 -6.400 9.972 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.912 -7.403 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.225 -5.791 8.764 1.00 0.00 H new ATOM 0 HG SER A 37 14.299 -5.161 7.656 1.00 0.00 H new ATOM 592 N GLY A 38 13.949 -3.958 11.424 1.00 0.00 N ATOM 593 CA GLY A 38 14.133 -2.538 11.731 1.00 0.00 C ATOM 594 C GLY A 38 12.951 -1.702 11.282 1.00 0.00 C ATOM 595 O GLY A 38 11.870 -1.830 11.831 1.00 0.00 O ATOM 0 H GLY A 38 13.688 -4.527 12.229 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.277 -2.415 12.804 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.039 -2.176 11.244 1.00 0.00 H new ATOM 599 N ALA A 39 13.151 -0.852 10.278 1.00 0.00 N ATOM 600 CA ALA A 39 12.068 -0.057 9.681 1.00 0.00 C ATOM 601 C ALA A 39 11.232 -0.923 8.718 1.00 0.00 C ATOM 602 O ALA A 39 11.762 -1.853 8.101 1.00 0.00 O ATOM 603 CB ALA A 39 12.653 1.177 8.973 1.00 0.00 C ATOM 0 H ALA A 39 14.064 -0.691 9.852 1.00 0.00 H new ATOM 0 HA ALA A 39 11.401 0.292 10.469 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.845 1.761 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.192 1.790 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.337 0.856 8.188 1.00 0.00 H new ATOM 609 N TYR A 40 9.925 -0.628 8.628 1.00 0.00 N ATOM 610 CA TYR A 40 9.002 -1.294 7.679 1.00 0.00 C ATOM 611 C TYR A 40 7.756 -0.418 7.462 1.00 0.00 C ATOM 612 O TYR A 40 7.644 0.674 8.039 1.00 0.00 O ATOM 613 CB TYR A 40 8.600 -2.732 8.172 1.00 0.00 C ATOM 614 CG TYR A 40 7.408 -2.813 9.151 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.505 -2.337 10.455 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.180 -3.366 8.757 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.433 -2.405 11.324 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.113 -3.430 9.622 1.00 0.00 C ATOM 619 CZ TYR A 40 5.238 -2.951 10.901 1.00 0.00 C ATOM 620 OH TYR A 40 4.165 -3.023 11.761 1.00 0.00 O ATOM 0 H TYR A 40 9.473 0.078 9.209 1.00 0.00 H new ATOM 0 HA TYR A 40 9.520 -1.416 6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.367 -3.340 7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.468 -3.184 8.652 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.436 -1.906 10.794 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.071 -3.749 7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.530 -2.031 12.333 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.177 -3.857 9.294 1.00 0.00 H new ATOM 0 HH TYR A 40 3.565 -3.744 11.476 1.00 0.00 H new ATOM 630 N VAL A 41 6.824 -0.892 6.610 1.00 0.00 N ATOM 631 CA VAL A 41 5.502 -0.262 6.438 1.00 0.00 C ATOM 632 C VAL A 41 4.403 -1.349 6.489 1.00 0.00 C ATOM 633 O VAL A 41 4.517 -2.386 5.817 1.00 0.00 O ATOM 634 CB VAL A 41 5.378 0.545 5.087 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.076 1.377 5.044 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.599 1.447 4.826 1.00 0.00 C ATOM 0 H VAL A 41 6.966 -1.716 6.026 1.00 0.00 H new ATOM 0 HA VAL A 41 5.378 0.452 7.252 1.00 0.00 H new ATOM 0 HB VAL A 41 5.343 -0.197 4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.022 1.920 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.216 0.712 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.070 2.086 5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.463 1.980 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.700 2.166 5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.499 0.834 4.770 1.00 0.00 H new ATOM 646 N HIS A 42 3.363 -1.107 7.311 1.00 0.00 N ATOM 647 CA HIS A 42 2.193 -1.992 7.448 1.00 0.00 C ATOM 648 C HIS A 42 1.145 -1.585 6.399 1.00 0.00 C ATOM 649 O HIS A 42 0.532 -0.527 6.525 1.00 0.00 O ATOM 650 CB HIS A 42 1.604 -1.879 8.895 1.00 0.00 C ATOM 651 CG HIS A 42 0.385 -2.745 9.210 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.341 -3.613 10.280 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.851 -2.817 8.643 1.00 0.00 C ATOM 654 CE1 HIS A 42 -0.852 -4.171 10.353 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.596 -3.705 9.371 1.00 0.00 N ATOM 0 H HIS A 42 3.313 -0.280 7.906 1.00 0.00 H new ATOM 0 HA HIS A 42 2.485 -3.029 7.284 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.393 -2.131 9.604 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.336 -0.837 9.073 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.115 -3.796 10.919 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.184 -2.270 7.773 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.166 -4.890 11.095 1.00 0.00 H new ATOM 664 N PHE A 43 0.947 -2.420 5.371 1.00 0.00 N ATOM 665 CA PHE A 43 -0.071 -2.189 4.329 1.00 0.00 C ATOM 666 C PHE A 43 -1.350 -2.960 4.718 1.00 0.00 C ATOM 667 O PHE A 43 -1.289 -4.155 5.022 1.00 0.00 O ATOM 668 CB PHE A 43 0.481 -2.641 2.954 1.00 0.00 C ATOM 669 CG PHE A 43 1.846 -2.030 2.624 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.951 -0.709 2.195 1.00 0.00 C ATOM 671 CD2 PHE A 43 3.024 -2.774 2.754 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.182 -0.151 1.905 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.253 -2.216 2.463 1.00 0.00 C ATOM 674 CZ PHE A 43 4.334 -0.905 2.039 1.00 0.00 C ATOM 0 H PHE A 43 1.486 -3.275 5.235 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.314 -1.129 4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.564 -3.728 2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.231 -2.367 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.058 -0.112 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.971 -3.800 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.244 0.875 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.152 -2.806 2.567 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.295 -0.468 1.812 1.00 0.00 H new ATOM 684 N ASP A 44 -2.492 -2.262 4.742 1.00 0.00 N ATOM 685 CA ASP A 44 -3.762 -2.801 5.261 1.00 0.00 C ATOM 686 C ASP A 44 -4.902 -2.424 4.304 1.00 0.00 C ATOM 687 O ASP A 44 -5.077 -1.247 3.977 1.00 0.00 O ATOM 688 CB ASP A 44 -4.009 -2.227 6.683 1.00 0.00 C ATOM 689 CG ASP A 44 -5.198 -2.878 7.408 1.00 0.00 C ATOM 690 OD1 ASP A 44 -5.003 -3.923 8.069 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.325 -2.351 7.325 1.00 0.00 O ATOM 0 H ASP A 44 -2.565 -1.303 4.401 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.718 -3.888 5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.109 -2.363 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.183 -1.154 6.608 1.00 0.00 H new ATOM 696 N MET A 45 -5.688 -3.424 3.878 1.00 0.00 N ATOM 697 CA MET A 45 -6.698 -3.281 2.807 1.00 0.00 C ATOM 698 C MET A 45 -8.033 -3.928 3.222 1.00 0.00 C ATOM 699 O MET A 45 -8.043 -4.948 3.919 1.00 0.00 O ATOM 700 CB MET A 45 -6.182 -3.941 1.491 1.00 0.00 C ATOM 701 CG MET A 45 -4.922 -3.297 0.883 1.00 0.00 C ATOM 702 SD MET A 45 -4.289 -4.196 -0.557 1.00 0.00 S ATOM 703 CE MET A 45 -5.687 -4.163 -1.684 1.00 0.00 C ATOM 0 H MET A 45 -5.644 -4.365 4.268 1.00 0.00 H new ATOM 0 HA MET A 45 -6.864 -2.217 2.637 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.973 -4.992 1.689 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.981 -3.908 0.750 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.150 -2.271 0.592 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.143 -3.247 1.644 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.463 -4.772 -2.560 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.569 -4.560 -1.181 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.879 -3.136 -1.996 1.00 0.00 H new ATOM 713 N ASP A 46 -9.154 -3.318 2.789 1.00 0.00 N ATOM 714 CA ASP A 46 -10.504 -3.924 2.887 1.00 0.00 C ATOM 715 C ASP A 46 -11.491 -3.142 2.010 1.00 0.00 C ATOM 716 O ASP A 46 -11.193 -2.027 1.579 1.00 0.00 O ATOM 717 CB ASP A 46 -11.031 -4.014 4.363 1.00 0.00 C ATOM 718 CG ASP A 46 -11.638 -2.705 4.914 1.00 0.00 C ATOM 719 OD1 ASP A 46 -10.888 -1.812 5.344 1.00 0.00 O ATOM 720 OD2 ASP A 46 -12.878 -2.551 4.895 1.00 0.00 O ATOM 0 H ASP A 46 -9.153 -2.392 2.361 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.422 -4.949 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.785 -4.799 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.208 -4.317 5.010 1.00 0.00 H new ATOM 725 N GLY A 47 -12.661 -3.736 1.761 1.00 0.00 N ATOM 726 CA GLY A 47 -13.726 -3.106 0.971 1.00 0.00 C ATOM 727 C GLY A 47 -14.499 -4.153 0.186 1.00 0.00 C ATOM 728 O GLY A 47 -14.824 -5.210 0.734 1.00 0.00 O ATOM 0 H GLY A 47 -12.898 -4.668 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.404 -2.564 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.295 -2.375 0.287 1.00 0.00 H new ATOM 732 N GLU A 48 -14.758 -3.884 -1.101 1.00 0.00 N ATOM 733 CA GLU A 48 -15.483 -4.812 -1.990 1.00 0.00 C ATOM 734 C GLU A 48 -15.078 -4.572 -3.446 1.00 0.00 C ATOM 735 O GLU A 48 -14.399 -3.584 -3.754 1.00 0.00 O ATOM 736 CB GLU A 48 -17.021 -4.713 -1.790 1.00 0.00 C ATOM 737 CG GLU A 48 -17.615 -3.306 -1.973 1.00 0.00 C ATOM 738 CD GLU A 48 -19.135 -3.267 -1.779 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.878 -3.496 -2.759 1.00 0.00 O ATOM 740 OE2 GLU A 48 -19.595 -3.029 -0.634 1.00 0.00 O ATOM 0 H GLU A 48 -14.472 -3.018 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.203 -5.832 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.507 -5.390 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.265 -5.065 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.146 -2.625 -1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.372 -2.942 -2.971 1.00 0.00 H new ATOM 747 N ILE A 49 -15.536 -5.453 -4.358 1.00 0.00 N ATOM 748 CA ILE A 49 -15.028 -5.538 -5.738 1.00 0.00 C ATOM 749 C ILE A 49 -16.187 -6.157 -6.536 1.00 0.00 C ATOM 750 O ILE A 49 -16.406 -7.374 -6.434 1.00 0.00 O ATOM 751 CB ILE A 49 -13.714 -6.425 -5.896 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.463 -5.703 -5.289 1.00 0.00 C ATOM 753 CG2 ILE A 49 -13.463 -6.807 -7.388 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.175 -6.506 -5.318 1.00 0.00 C ATOM 0 H ILE A 49 -16.273 -6.128 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.728 -4.550 -6.087 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.874 -7.346 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.303 -4.771 -5.831 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.683 -5.437 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.559 -7.412 -7.462 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.312 -7.376 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.342 -5.900 -7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.370 -5.919 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.307 -7.427 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.921 -6.750 -6.350 1.00 0.00 H new ATOM 766 N ASP A 50 -16.947 -5.327 -7.275 1.00 0.00 N ATOM 767 CA ASP A 50 -18.156 -5.762 -8.006 1.00 0.00 C ATOM 768 C ASP A 50 -19.155 -6.472 -7.062 1.00 0.00 C ATOM 769 O ASP A 50 -19.771 -7.485 -7.417 1.00 0.00 O ATOM 770 CB ASP A 50 -17.764 -6.638 -9.223 1.00 0.00 C ATOM 771 CG ASP A 50 -17.000 -5.839 -10.293 1.00 0.00 C ATOM 772 OD1 ASP A 50 -17.657 -5.090 -11.043 1.00 0.00 O ATOM 773 OD2 ASP A 50 -15.749 -5.943 -10.385 1.00 0.00 O ATOM 0 H ASP A 50 -16.741 -4.334 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.669 -4.881 -8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.148 -7.471 -8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.664 -7.066 -9.665 1.00 0.00 H new ATOM 778 N GLY A 51 -19.299 -5.903 -5.846 1.00 0.00 N ATOM 779 CA GLY A 51 -20.170 -6.451 -4.801 1.00 0.00 C ATOM 780 C GLY A 51 -19.479 -7.423 -3.843 1.00 0.00 C ATOM 781 O GLY A 51 -19.946 -7.604 -2.714 1.00 0.00 O ATOM 0 H GLY A 51 -18.812 -5.051 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.586 -5.626 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.008 -6.962 -5.275 1.00 0.00 H new ATOM 785 N LYS A 52 -18.390 -8.076 -4.303 1.00 0.00 N ATOM 786 CA LYS A 52 -17.667 -9.124 -3.546 1.00 0.00 C ATOM 787 C LYS A 52 -16.733 -8.502 -2.467 1.00 0.00 C ATOM 788 O LYS A 52 -15.712 -7.910 -2.823 1.00 0.00 O ATOM 789 CB LYS A 52 -16.825 -9.971 -4.553 1.00 0.00 C ATOM 790 CG LYS A 52 -17.624 -10.537 -5.754 1.00 0.00 C ATOM 791 CD LYS A 52 -16.710 -11.200 -6.819 1.00 0.00 C ATOM 792 CE LYS A 52 -17.491 -11.717 -8.040 1.00 0.00 C ATOM 793 NZ LYS A 52 -18.508 -12.743 -7.667 1.00 0.00 N ATOM 0 H LYS A 52 -17.983 -7.889 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.392 -9.754 -3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.012 -9.353 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.369 -10.802 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.346 -11.270 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.193 -9.732 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.964 -10.478 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.170 -12.029 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.986 -10.880 -8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.794 -12.145 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.950 -13.123 -8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.047 -13.515 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.237 -12.307 -7.068 1.00 0.00 H new ATOM 807 N PRO A 53 -17.050 -8.644 -1.135 1.00 0.00 N ATOM 808 CA PRO A 53 -16.242 -8.041 -0.040 1.00 0.00 C ATOM 809 C PRO A 53 -14.987 -8.868 0.337 1.00 0.00 C ATOM 810 O PRO A 53 -14.967 -10.094 0.156 1.00 0.00 O ATOM 811 CB PRO A 53 -17.256 -7.993 1.123 1.00 0.00 C ATOM 812 CG PRO A 53 -18.116 -9.205 0.917 1.00 0.00 C ATOM 813 CD PRO A 53 -18.225 -9.388 -0.590 1.00 0.00 C ATOM 0 HA PRO A 53 -15.826 -7.073 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.754 -8.022 2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.847 -7.077 1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.672 -10.083 1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.100 -9.067 1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.192 -10.442 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.163 -8.987 -0.973 1.00 0.00 H new ATOM 821 N PHE A 54 -13.940 -8.179 0.855 1.00 0.00 N ATOM 822 CA PHE A 54 -12.697 -8.833 1.344 1.00 0.00 C ATOM 823 C PHE A 54 -11.984 -7.959 2.395 1.00 0.00 C ATOM 824 O PHE A 54 -12.220 -6.748 2.471 1.00 0.00 O ATOM 825 CB PHE A 54 -11.715 -9.143 0.169 1.00 0.00 C ATOM 826 CG PHE A 54 -10.983 -7.927 -0.429 1.00 0.00 C ATOM 827 CD1 PHE A 54 -11.686 -6.907 -1.078 1.00 0.00 C ATOM 828 CD2 PHE A 54 -9.590 -7.813 -0.341 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.024 -5.821 -1.613 1.00 0.00 C ATOM 830 CE2 PHE A 54 -8.931 -6.725 -0.879 1.00 0.00 C ATOM 831 CZ PHE A 54 -9.647 -5.729 -1.512 1.00 0.00 C ATOM 0 H PHE A 54 -13.931 -7.163 0.946 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.994 -9.773 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.969 -9.855 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.274 -9.635 -0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.761 -6.970 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.023 -8.587 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -11.581 -5.042 -2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.856 -6.654 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.132 -4.876 -1.929 1.00 0.00 H new ATOM 841 N SER A 55 -11.106 -8.598 3.187 1.00 0.00 N ATOM 842 CA SER A 55 -10.177 -7.915 4.107 1.00 0.00 C ATOM 843 C SER A 55 -8.815 -8.640 4.090 1.00 0.00 C ATOM 844 O SER A 55 -8.737 -9.831 4.425 1.00 0.00 O ATOM 845 CB SER A 55 -10.774 -7.867 5.536 1.00 0.00 C ATOM 846 OG SER A 55 -11.087 -9.168 6.018 1.00 0.00 O ATOM 0 H SER A 55 -11.020 -9.614 3.207 1.00 0.00 H new ATOM 0 HA SER A 55 -10.026 -6.887 3.779 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.064 -7.389 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.675 -7.253 5.534 1.00 0.00 H new ATOM 0 HG SER A 55 -10.429 -9.810 5.678 1.00 0.00 H new ATOM 852 N ASP A 56 -7.755 -7.926 3.668 1.00 0.00 N ATOM 853 CA ASP A 56 -6.384 -8.478 3.540 1.00 0.00 C ATOM 854 C ASP A 56 -5.358 -7.442 4.027 1.00 0.00 C ATOM 855 O ASP A 56 -5.591 -6.248 3.910 1.00 0.00 O ATOM 856 CB ASP A 56 -6.097 -8.851 2.058 1.00 0.00 C ATOM 857 CG ASP A 56 -4.747 -9.578 1.854 1.00 0.00 C ATOM 858 OD1 ASP A 56 -4.713 -10.823 1.987 1.00 0.00 O ATOM 859 OD2 ASP A 56 -3.715 -8.921 1.573 1.00 0.00 O ATOM 0 H ASP A 56 -7.821 -6.943 3.403 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.304 -9.376 4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.902 -9.487 1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.106 -7.943 1.455 1.00 0.00 H new ATOM 864 N SER A 57 -4.222 -7.906 4.560 1.00 0.00 N ATOM 865 CA SER A 57 -3.129 -7.028 5.002 1.00 0.00 C ATOM 866 C SER A 57 -1.785 -7.758 4.867 1.00 0.00 C ATOM 867 O SER A 57 -1.673 -8.937 5.224 1.00 0.00 O ATOM 868 CB SER A 57 -3.361 -6.561 6.460 1.00 0.00 C ATOM 869 OG SER A 57 -3.491 -7.661 7.351 1.00 0.00 O ATOM 0 H SER A 57 -4.033 -8.899 4.698 1.00 0.00 H new ATOM 0 HA SER A 57 -3.108 -6.142 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.529 -5.932 6.777 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.260 -5.947 6.507 1.00 0.00 H new ATOM 0 HG SER A 57 -3.635 -7.329 8.262 1.00 0.00 H new ATOM 875 N PHE A 58 -0.771 -7.037 4.370 1.00 0.00 N ATOM 876 CA PHE A 58 0.598 -7.548 4.189 1.00 0.00 C ATOM 877 C PHE A 58 1.591 -6.484 4.681 1.00 0.00 C ATOM 878 O PHE A 58 1.343 -5.287 4.547 1.00 0.00 O ATOM 879 CB PHE A 58 0.860 -7.942 2.703 1.00 0.00 C ATOM 880 CG PHE A 58 0.697 -6.814 1.672 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.566 -6.463 1.185 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.805 -6.110 1.186 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.712 -5.448 0.257 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.655 -5.096 0.260 1.00 0.00 C ATOM 885 CZ PHE A 58 0.399 -4.765 -0.206 1.00 0.00 C ATOM 0 H PHE A 58 -0.879 -6.066 4.077 1.00 0.00 H new ATOM 0 HA PHE A 58 0.731 -8.456 4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.873 -8.336 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.181 -8.752 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.439 -6.992 1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.793 -6.364 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.695 -5.188 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.522 -4.562 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.283 -3.973 -0.932 1.00 0.00 H new ATOM 895 N GLU A 59 2.712 -6.921 5.270 1.00 0.00 N ATOM 896 CA GLU A 59 3.712 -6.014 5.869 1.00 0.00 C ATOM 897 C GLU A 59 5.079 -6.289 5.247 1.00 0.00 C ATOM 898 O GLU A 59 5.567 -7.419 5.292 1.00 0.00 O ATOM 899 CB GLU A 59 3.735 -6.207 7.412 1.00 0.00 C ATOM 900 CG GLU A 59 2.413 -5.799 8.101 1.00 0.00 C ATOM 901 CD GLU A 59 2.324 -6.203 9.584 1.00 0.00 C ATOM 902 OE1 GLU A 59 1.923 -7.349 9.871 1.00 0.00 O ATOM 903 OE2 GLU A 59 2.633 -5.372 10.467 1.00 0.00 O ATOM 0 H GLU A 59 2.955 -7.909 5.347 1.00 0.00 H new ATOM 0 HA GLU A 59 3.449 -4.976 5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.946 -7.253 7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.551 -5.620 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.294 -4.718 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.581 -6.251 7.562 1.00 0.00 H new ATOM 910 N LEU A 60 5.703 -5.248 4.676 1.00 0.00 N ATOM 911 CA LEU A 60 6.976 -5.372 3.950 1.00 0.00 C ATOM 912 C LEU A 60 8.034 -4.483 4.620 1.00 0.00 C ATOM 913 O LEU A 60 7.733 -3.328 4.951 1.00 0.00 O ATOM 914 CB LEU A 60 6.796 -4.989 2.453 1.00 0.00 C ATOM 915 CG LEU A 60 5.782 -5.859 1.630 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.689 -5.388 0.161 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.142 -7.358 1.710 1.00 0.00 C ATOM 0 H LEU A 60 5.339 -4.296 4.705 1.00 0.00 H new ATOM 0 HA LEU A 60 7.309 -6.409 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.474 -3.949 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.769 -5.046 1.966 1.00 0.00 H new ATOM 0 HG LEU A 60 4.798 -5.725 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.977 -6.014 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.355 -4.351 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.669 -5.466 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.422 -7.936 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.142 -7.514 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.116 -7.683 2.750 1.00 0.00 H new ATOM 929 N PRO A 61 9.280 -5.018 4.862 1.00 0.00 N ATOM 930 CA PRO A 61 10.419 -4.226 5.397 1.00 0.00 C ATOM 931 C PRO A 61 10.771 -3.002 4.529 1.00 0.00 C ATOM 932 O PRO A 61 10.339 -2.898 3.389 1.00 0.00 O ATOM 933 CB PRO A 61 11.590 -5.251 5.436 1.00 0.00 C ATOM 934 CG PRO A 61 11.169 -6.355 4.520 1.00 0.00 C ATOM 935 CD PRO A 61 9.673 -6.444 4.671 1.00 0.00 C ATOM 0 HA PRO A 61 10.186 -3.795 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.523 -4.797 5.103 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.758 -5.620 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.449 -6.139 3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.649 -7.296 4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.202 -6.880 3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.388 -7.061 5.523 1.00 0.00 H new ATOM 943 N ARG A 62 11.545 -2.080 5.118 1.00 0.00 N ATOM 944 CA ARG A 62 12.160 -0.918 4.423 1.00 0.00 C ATOM 945 C ARG A 62 12.818 -1.313 3.067 1.00 0.00 C ATOM 946 O ARG A 62 12.729 -0.574 2.078 1.00 0.00 O ATOM 947 CB ARG A 62 13.212 -0.274 5.372 1.00 0.00 C ATOM 948 CG ARG A 62 14.265 -1.271 5.918 1.00 0.00 C ATOM 949 CD ARG A 62 15.273 -0.645 6.893 1.00 0.00 C ATOM 950 NE ARG A 62 16.149 -1.674 7.493 1.00 0.00 N ATOM 951 CZ ARG A 62 17.436 -1.885 7.176 1.00 0.00 C ATOM 952 NH1 ARG A 62 18.049 -1.159 6.248 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.111 -2.838 7.793 1.00 0.00 N ATOM 0 H ARG A 62 11.772 -2.113 6.112 1.00 0.00 H new ATOM 0 HA ARG A 62 11.372 -0.203 4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.726 0.525 4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.693 0.187 6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.749 -2.089 6.421 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.809 -1.705 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.881 0.092 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.739 -0.114 7.681 1.00 0.00 H new ATOM 0 HE ARG A 62 15.740 -2.275 8.209 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.541 -0.422 5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.028 -1.338 6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.654 -3.408 8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.089 -3.004 7.557 1.00 0.00 H new ATOM 967 N ASP A 63 13.432 -2.509 3.048 1.00 0.00 N ATOM 968 CA ASP A 63 14.129 -3.078 1.882 1.00 0.00 C ATOM 969 C ASP A 63 13.175 -3.402 0.711 1.00 0.00 C ATOM 970 O ASP A 63 13.590 -3.373 -0.453 1.00 0.00 O ATOM 971 CB ASP A 63 14.877 -4.368 2.312 1.00 0.00 C ATOM 972 CG ASP A 63 15.935 -4.116 3.402 1.00 0.00 C ATOM 973 OD1 ASP A 63 15.597 -4.186 4.606 1.00 0.00 O ATOM 974 OD2 ASP A 63 17.105 -3.827 3.059 1.00 0.00 O ATOM 0 H ASP A 63 13.458 -3.121 3.863 1.00 0.00 H new ATOM 0 HA ASP A 63 14.830 -2.324 1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.153 -5.096 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.360 -4.809 1.440 1.00 0.00 H new ATOM 979 N THR A 64 11.900 -3.700 1.025 1.00 0.00 N ATOM 980 CA THR A 64 10.901 -4.172 0.040 1.00 0.00 C ATOM 981 C THR A 64 9.587 -3.363 0.146 1.00 0.00 C ATOM 982 O THR A 64 8.557 -3.775 -0.394 1.00 0.00 O ATOM 983 CB THR A 64 10.584 -5.693 0.241 1.00 0.00 C ATOM 984 OG1 THR A 64 10.021 -5.901 1.539 1.00 0.00 O ATOM 985 CG2 THR A 64 11.832 -6.580 0.080 1.00 0.00 C ATOM 0 H THR A 64 11.530 -3.621 1.972 1.00 0.00 H new ATOM 0 HA THR A 64 11.334 -4.024 -0.949 1.00 0.00 H new ATOM 0 HB THR A 64 9.873 -5.979 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.822 -6.853 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.558 -7.624 0.229 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.243 -6.452 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.580 -6.292 0.818 1.00 0.00 H new ATOM 993 N ALA A 65 9.628 -2.204 0.832 1.00 0.00 N ATOM 994 CA ALA A 65 8.442 -1.326 1.013 1.00 0.00 C ATOM 995 C ALA A 65 8.014 -0.703 -0.328 1.00 0.00 C ATOM 996 O ALA A 65 6.832 -0.455 -0.567 1.00 0.00 O ATOM 997 CB ALA A 65 8.749 -0.240 2.059 1.00 0.00 C ATOM 0 H ALA A 65 10.474 -1.847 1.275 1.00 0.00 H new ATOM 0 HA ALA A 65 7.609 -1.928 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.876 0.400 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.996 -0.711 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.593 0.362 1.722 1.00 0.00 H new ATOM 1003 N PHE A 66 9.019 -0.452 -1.179 1.00 0.00 N ATOM 1004 CA PHE A 66 8.833 0.012 -2.570 1.00 0.00 C ATOM 1005 C PHE A 66 8.212 -1.095 -3.460 1.00 0.00 C ATOM 1006 O PHE A 66 7.549 -0.797 -4.449 1.00 0.00 O ATOM 1007 CB PHE A 66 10.200 0.452 -3.166 1.00 0.00 C ATOM 1008 CG PHE A 66 11.008 1.421 -2.290 1.00 0.00 C ATOM 1009 CD1 PHE A 66 11.876 0.944 -1.301 1.00 0.00 C ATOM 1010 CD2 PHE A 66 10.906 2.797 -2.459 1.00 0.00 C ATOM 1011 CE1 PHE A 66 12.608 1.810 -0.517 1.00 0.00 C ATOM 1012 CE2 PHE A 66 11.641 3.663 -1.676 1.00 0.00 C ATOM 1013 CZ PHE A 66 12.490 3.172 -0.704 1.00 0.00 C ATOM 0 H PHE A 66 9.999 -0.566 -0.921 1.00 0.00 H new ATOM 0 HA PHE A 66 8.146 0.858 -2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.803 -0.438 -3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.023 0.922 -4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 66 11.974 -0.121 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 66 10.243 3.193 -3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.272 1.423 0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 66 11.552 4.729 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.061 3.853 -0.091 1.00 0.00 H new ATOM 1023 N ASN A 67 8.390 -2.373 -3.061 1.00 0.00 N ATOM 1024 CA ASN A 67 7.885 -3.549 -3.818 1.00 0.00 C ATOM 1025 C ASN A 67 6.365 -3.751 -3.611 1.00 0.00 C ATOM 1026 O ASN A 67 5.764 -4.646 -4.219 1.00 0.00 O ATOM 1027 CB ASN A 67 8.650 -4.833 -3.387 1.00 0.00 C ATOM 1028 CG ASN A 67 10.113 -4.862 -3.841 1.00 0.00 C ATOM 1029 OD1 ASN A 67 10.992 -4.298 -3.200 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.389 -5.559 -4.929 1.00 0.00 N ATOM 0 H ASN A 67 8.887 -2.623 -2.206 1.00 0.00 H new ATOM 0 HA ASN A 67 8.059 -3.359 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.614 -4.919 -2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.136 -5.704 -3.793 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.353 -5.637 -5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.638 -6.019 -5.444 1.00 0.00 H new ATOM 1037 N PHE A 68 5.755 -2.893 -2.763 1.00 0.00 N ATOM 1038 CA PHE A 68 4.338 -2.995 -2.374 1.00 0.00 C ATOM 1039 C PHE A 68 3.367 -2.750 -3.545 1.00 0.00 C ATOM 1040 O PHE A 68 2.215 -3.162 -3.465 1.00 0.00 O ATOM 1041 CB PHE A 68 4.005 -1.981 -1.238 1.00 0.00 C ATOM 1042 CG PHE A 68 3.496 -0.603 -1.724 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.352 0.300 -2.357 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.144 -0.253 -1.594 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.876 1.500 -2.840 1.00 0.00 C ATOM 1046 CE2 PHE A 68 1.677 0.952 -2.070 1.00 0.00 C ATOM 1047 CZ PHE A 68 2.541 1.825 -2.698 1.00 0.00 C ATOM 0 H PHE A 68 6.239 -2.107 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 68 4.200 -4.020 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.250 -2.422 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.899 -1.829 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.398 0.056 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.460 -0.938 -1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.549 2.188 -3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.636 1.213 -1.952 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.172 2.766 -3.080 1.00 0.00 H new ATOM 1057 N ALA A 69 3.825 -2.070 -4.617 1.00 0.00 N ATOM 1058 CA ALA A 69 2.905 -1.442 -5.588 1.00 0.00 C ATOM 1059 C ALA A 69 2.259 -2.521 -6.459 1.00 0.00 C ATOM 1060 O ALA A 69 1.050 -2.499 -6.716 1.00 0.00 O ATOM 1061 CB ALA A 69 3.653 -0.406 -6.440 1.00 0.00 C ATOM 0 H ALA A 69 4.814 -1.943 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 69 2.115 -0.918 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.962 0.048 -7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.067 0.367 -5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.461 -0.896 -6.983 1.00 0.00 H new ATOM 1067 N SER A 70 3.099 -3.486 -6.850 1.00 0.00 N ATOM 1068 CA SER A 70 2.684 -4.668 -7.604 1.00 0.00 C ATOM 1069 C SER A 70 1.796 -5.571 -6.731 1.00 0.00 C ATOM 1070 O SER A 70 0.851 -6.182 -7.222 1.00 0.00 O ATOM 1071 CB SER A 70 3.938 -5.426 -8.095 1.00 0.00 C ATOM 1072 OG SER A 70 4.840 -5.677 -7.025 1.00 0.00 O ATOM 0 H SER A 70 4.098 -3.465 -6.648 1.00 0.00 H new ATOM 0 HA SER A 70 2.097 -4.363 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.640 -6.370 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.439 -4.843 -8.867 1.00 0.00 H new ATOM 0 HG SER A 70 4.388 -6.202 -6.332 1.00 0.00 H new ATOM 1078 N ASP A 71 2.097 -5.589 -5.418 1.00 0.00 N ATOM 1079 CA ASP A 71 1.440 -6.469 -4.436 1.00 0.00 C ATOM 1080 C ASP A 71 0.000 -6.014 -4.149 1.00 0.00 C ATOM 1081 O ASP A 71 -0.923 -6.792 -4.327 1.00 0.00 O ATOM 1082 CB ASP A 71 2.271 -6.517 -3.118 1.00 0.00 C ATOM 1083 CG ASP A 71 3.642 -7.220 -3.253 1.00 0.00 C ATOM 1084 OD1 ASP A 71 4.218 -7.254 -4.369 1.00 0.00 O ATOM 1085 OD2 ASP A 71 4.142 -7.760 -2.242 1.00 0.00 O ATOM 0 H ASP A 71 2.810 -4.987 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 71 1.391 -7.472 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.432 -5.498 -2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.687 -7.029 -2.353 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.160 -4.746 -3.710 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.467 -4.131 -3.360 1.00 0.00 C ATOM 1092 C ALA A 72 -2.495 -4.252 -4.497 1.00 0.00 C ATOM 1093 O ALA A 72 -3.670 -4.564 -4.261 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.262 -2.654 -2.968 1.00 0.00 C ATOM 0 H ALA A 72 0.626 -4.108 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.872 -4.680 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.223 -2.209 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.595 -2.595 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.823 -2.113 -3.806 1.00 0.00 H new ATOM 1100 N THR A 73 -2.031 -4.023 -5.734 1.00 0.00 N ATOM 1101 CA THR A 73 -2.856 -4.176 -6.936 1.00 0.00 C ATOM 1102 C THR A 73 -3.220 -5.662 -7.149 1.00 0.00 C ATOM 1103 O THR A 73 -4.394 -5.996 -7.311 1.00 0.00 O ATOM 1104 CB THR A 73 -2.111 -3.588 -8.177 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.804 -2.203 -7.924 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.928 -3.704 -9.485 1.00 0.00 C ATOM 0 H THR A 73 -1.074 -3.727 -5.927 1.00 0.00 H new ATOM 0 HA THR A 73 -3.785 -3.620 -6.806 1.00 0.00 H new ATOM 0 HB THR A 73 -1.202 -4.173 -8.319 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.910 -2.133 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.357 -3.278 -10.310 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.137 -4.754 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.867 -3.162 -9.376 1.00 0.00 H new ATOM 1114 N ARG A 74 -2.194 -6.536 -7.106 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.344 -8.005 -7.267 1.00 0.00 C ATOM 1116 C ARG A 74 -3.321 -8.625 -6.237 1.00 0.00 C ATOM 1117 O ARG A 74 -4.063 -9.544 -6.578 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.954 -8.686 -7.183 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.930 -10.207 -7.453 1.00 0.00 C ATOM 1120 CD ARG A 74 0.502 -10.780 -7.426 1.00 0.00 C ATOM 1121 NE ARG A 74 1.166 -10.579 -6.119 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.341 -9.955 -5.910 1.00 0.00 C ATOM 1123 NH1 ARG A 74 3.018 -9.391 -6.903 1.00 0.00 N ATOM 1124 NH2 ARG A 74 2.826 -9.897 -4.683 1.00 0.00 N ATOM 0 H ARG A 74 -1.228 -6.244 -6.958 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.780 -8.183 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.289 -8.199 -7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.542 -8.506 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.538 -10.717 -6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.382 -10.409 -8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.468 -11.846 -7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.095 -10.306 -8.208 1.00 0.00 H new ATOM 0 HE ARG A 74 0.688 -10.949 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.650 -9.424 -7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.906 -8.925 -6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.312 -10.321 -3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.715 -9.428 -4.508 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.331 -8.087 -4.992 1.00 0.00 N ATOM 1139 CA VAL A 75 -4.250 -8.526 -3.911 1.00 0.00 C ATOM 1140 C VAL A 75 -5.703 -8.368 -4.373 1.00 0.00 C ATOM 1141 O VAL A 75 -6.531 -9.276 -4.211 1.00 0.00 O ATOM 1142 CB VAL A 75 -4.031 -7.702 -2.576 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -5.137 -7.983 -1.524 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -2.644 -7.973 -1.967 1.00 0.00 C ATOM 0 H VAL A 75 -2.702 -7.336 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.033 -9.573 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.092 -6.649 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.943 -7.395 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.108 -7.708 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.137 -9.043 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.528 -7.391 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.549 -9.034 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.871 -7.686 -2.680 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.978 -7.212 -4.988 1.00 0.00 N ATOM 1155 CA ALA A 76 -7.297 -6.863 -5.496 1.00 0.00 C ATOM 1156 C ALA A 76 -7.664 -7.730 -6.708 1.00 0.00 C ATOM 1157 O ALA A 76 -8.792 -8.224 -6.805 1.00 0.00 O ATOM 1158 CB ALA A 76 -7.293 -5.380 -5.866 1.00 0.00 C ATOM 0 H ALA A 76 -5.277 -6.488 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.049 -7.049 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.274 -5.098 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.064 -4.785 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.538 -5.198 -6.631 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.678 -7.927 -7.614 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.861 -8.706 -8.854 1.00 0.00 C ATOM 1166 C GLN A 77 -7.268 -10.162 -8.548 1.00 0.00 C ATOM 1167 O GLN A 77 -8.118 -10.736 -9.238 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.581 -8.683 -9.736 1.00 0.00 C ATOM 1169 CG GLN A 77 -5.071 -7.286 -10.163 1.00 0.00 C ATOM 1170 CD GLN A 77 -6.145 -6.362 -10.743 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -6.753 -5.564 -10.025 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -6.401 -6.479 -12.039 1.00 0.00 N ATOM 0 H GLN A 77 -5.737 -7.550 -7.503 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.669 -8.232 -9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.782 -9.188 -9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.774 -9.267 -10.636 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.621 -6.799 -9.298 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.282 -7.413 -10.904 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.879 -7.149 -12.603 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.120 -5.899 -12.471 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.666 -10.720 -7.481 1.00 0.00 N ATOM 1182 CA LYS A 78 -6.965 -12.077 -6.977 1.00 0.00 C ATOM 1183 C LYS A 78 -8.438 -12.219 -6.539 1.00 0.00 C ATOM 1184 O LYS A 78 -9.015 -13.303 -6.644 1.00 0.00 O ATOM 1185 CB LYS A 78 -6.035 -12.418 -5.782 1.00 0.00 C ATOM 1186 CG LYS A 78 -4.546 -12.632 -6.150 1.00 0.00 C ATOM 1187 CD LYS A 78 -3.651 -12.856 -4.905 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.086 -14.074 -4.060 1.00 0.00 C ATOM 1189 NZ LYS A 78 -3.244 -14.252 -2.849 1.00 0.00 N ATOM 0 H LYS A 78 -5.950 -10.237 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.789 -12.774 -7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.100 -11.613 -5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.407 -13.321 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.460 -13.492 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.184 -11.765 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.619 -12.994 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.674 -11.962 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.127 -13.952 -3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.033 -14.975 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.575 -15.081 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.254 -14.395 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.314 -13.405 -2.250 1.00 0.00 H new ATOM 1203 N HIS A 79 -9.042 -11.112 -6.068 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.426 -11.112 -5.551 1.00 0.00 C ATOM 1205 C HIS A 79 -11.453 -10.776 -6.670 1.00 0.00 C ATOM 1206 O HIS A 79 -12.574 -10.331 -6.394 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.541 -10.135 -4.340 1.00 0.00 C ATOM 1208 CG HIS A 79 -11.810 -10.306 -3.537 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -12.080 -11.453 -2.821 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -12.899 -9.512 -3.382 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -13.270 -11.361 -2.272 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -13.786 -10.191 -2.593 1.00 0.00 N ATOM 0 H HIS A 79 -8.590 -10.198 -6.034 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.668 -12.116 -5.202 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.684 -10.283 -3.683 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.489 -9.110 -4.706 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -11.452 -12.251 -2.731 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.039 -8.527 -3.803 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.745 -12.115 -1.662 1.00 0.00 H new ATOM 1221 N GLY A 80 -11.092 -11.038 -7.934 1.00 0.00 N ATOM 1222 CA GLY A 80 -12.037 -10.945 -9.048 1.00 0.00 C ATOM 1223 C GLY A 80 -12.016 -9.583 -9.688 1.00 0.00 C ATOM 1224 O GLY A 80 -13.064 -8.977 -9.918 1.00 0.00 O ATOM 0 H GLY A 80 -10.150 -11.316 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.794 -11.701 -9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.043 -11.163 -8.690 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.812 -9.116 -10.000 1.00 0.00 N ATOM 1229 CA LEU A 81 -10.589 -7.786 -10.571 1.00 0.00 C ATOM 1230 C LEU A 81 -9.603 -7.929 -11.747 1.00 0.00 C ATOM 1231 O LEU A 81 -8.540 -8.540 -11.602 1.00 0.00 O ATOM 1232 CB LEU A 81 -10.039 -6.835 -9.457 1.00 0.00 C ATOM 1233 CG LEU A 81 -10.349 -5.308 -9.569 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -9.730 -4.546 -8.383 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -9.887 -4.701 -10.904 1.00 0.00 C ATOM 0 H LEU A 81 -9.955 -9.651 -9.864 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.516 -7.352 -10.945 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.427 -7.184 -8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.956 -6.953 -9.424 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.433 -5.202 -9.537 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.955 -3.484 -8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.147 -4.925 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.649 -4.689 -8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.129 -3.638 -10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.810 -4.830 -11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.394 -5.204 -11.727 1.00 0.00 H new ATOM 1466 N TYR A 95 3.927 5.616 -9.227 1.00 0.00 N ATOM 1467 CA TYR A 95 4.885 4.875 -8.412 1.00 0.00 C ATOM 1468 C TYR A 95 6.167 5.689 -8.177 1.00 0.00 C ATOM 1469 O TYR A 95 6.767 5.560 -7.131 1.00 0.00 O ATOM 1470 CB TYR A 95 5.202 3.514 -9.090 1.00 0.00 C ATOM 1471 CG TYR A 95 6.305 2.689 -8.394 1.00 0.00 C ATOM 1472 CD1 TYR A 95 6.147 2.251 -7.077 1.00 0.00 C ATOM 1473 CD2 TYR A 95 7.506 2.376 -9.044 1.00 0.00 C ATOM 1474 CE1 TYR A 95 7.136 1.531 -6.441 1.00 0.00 C ATOM 1475 CE2 TYR A 95 8.498 1.654 -8.405 1.00 0.00 C ATOM 1476 CZ TYR A 95 8.307 1.233 -7.105 1.00 0.00 C ATOM 1477 OH TYR A 95 9.296 0.507 -6.468 1.00 0.00 O ATOM 0 HA TYR A 95 4.441 4.688 -7.434 1.00 0.00 H new ATOM 0 HB2 TYR A 95 4.289 2.919 -9.124 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.501 3.698 -10.122 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.234 2.480 -6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.660 2.704 -10.061 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.993 1.200 -5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.418 1.421 -8.921 1.00 0.00 H new ATOM 0 HH TYR A 95 8.894 -0.052 -5.771 1.00 0.00 H new ATOM 1487 N ASP A 96 6.589 6.478 -9.183 1.00 0.00 N ATOM 1488 CA ASP A 96 7.729 7.419 -9.065 1.00 0.00 C ATOM 1489 C ASP A 96 7.562 8.400 -7.880 1.00 0.00 C ATOM 1490 O ASP A 96 8.507 8.618 -7.110 1.00 0.00 O ATOM 1491 CB ASP A 96 7.901 8.212 -10.393 1.00 0.00 C ATOM 1492 CG ASP A 96 8.225 7.311 -11.605 1.00 0.00 C ATOM 1493 OD1 ASP A 96 7.348 6.522 -12.016 1.00 0.00 O ATOM 1494 OD2 ASP A 96 9.353 7.384 -12.145 1.00 0.00 O ATOM 0 H ASP A 96 6.151 6.484 -10.104 1.00 0.00 H new ATOM 0 HA ASP A 96 8.622 6.826 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.986 8.768 -10.597 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.699 8.944 -10.270 1.00 0.00 H new ATOM 1499 N ALA A 97 6.354 8.978 -7.741 1.00 0.00 N ATOM 1500 CA ALA A 97 6.044 9.951 -6.668 1.00 0.00 C ATOM 1501 C ALA A 97 6.008 9.248 -5.298 1.00 0.00 C ATOM 1502 O ALA A 97 6.625 9.709 -4.329 1.00 0.00 O ATOM 1503 CB ALA A 97 4.703 10.657 -6.960 1.00 0.00 C ATOM 0 H ALA A 97 5.568 8.788 -8.363 1.00 0.00 H new ATOM 0 HA ALA A 97 6.830 10.706 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.486 11.370 -6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.769 11.185 -7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.905 9.916 -7.011 1.00 0.00 H new ATOM 1509 N MET A 98 5.282 8.120 -5.253 1.00 0.00 N ATOM 1510 CA MET A 98 5.157 7.268 -4.053 1.00 0.00 C ATOM 1511 C MET A 98 6.534 6.723 -3.581 1.00 0.00 C ATOM 1512 O MET A 98 6.784 6.606 -2.387 1.00 0.00 O ATOM 1513 CB MET A 98 4.183 6.105 -4.365 1.00 0.00 C ATOM 1514 CG MET A 98 3.935 5.145 -3.198 1.00 0.00 C ATOM 1515 SD MET A 98 3.301 5.977 -1.723 1.00 0.00 S ATOM 1516 CE MET A 98 3.177 4.605 -0.575 1.00 0.00 C ATOM 0 H MET A 98 4.759 7.768 -6.055 1.00 0.00 H new ATOM 0 HA MET A 98 4.764 7.872 -3.235 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.228 6.524 -4.681 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.576 5.536 -5.208 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.225 4.378 -3.510 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.866 4.636 -2.949 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.128 4.356 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.697 3.739 -0.985 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.631 4.884 0.376 1.00 0.00 H new ATOM 1526 N PHE A 99 7.384 6.380 -4.563 1.00 0.00 N ATOM 1527 CA PHE A 99 8.781 5.917 -4.346 1.00 0.00 C ATOM 1528 C PHE A 99 9.550 6.937 -3.489 1.00 0.00 C ATOM 1529 O PHE A 99 10.230 6.571 -2.523 1.00 0.00 O ATOM 1530 CB PHE A 99 9.507 5.698 -5.711 1.00 0.00 C ATOM 1531 CG PHE A 99 10.854 4.963 -5.640 1.00 0.00 C ATOM 1532 CD1 PHE A 99 12.038 5.643 -5.330 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.936 3.591 -5.885 1.00 0.00 C ATOM 1534 CE1 PHE A 99 13.246 4.973 -5.267 1.00 0.00 C ATOM 1535 CE2 PHE A 99 12.148 2.924 -5.824 1.00 0.00 C ATOM 1536 CZ PHE A 99 13.302 3.614 -5.512 1.00 0.00 C ATOM 0 H PHE A 99 7.124 6.414 -5.549 1.00 0.00 H new ATOM 0 HA PHE A 99 8.752 4.964 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.843 5.138 -6.369 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.669 6.671 -6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 99 12.007 6.705 -5.137 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.039 3.040 -6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 99 14.149 5.514 -5.025 1.00 0.00 H new ATOM 0 HE2 PHE A 99 12.190 1.863 -6.021 1.00 0.00 H new ATOM 0 HZ PHE A 99 14.247 3.093 -5.459 1.00 0.00 H new ATOM 1546 N GLU A 100 9.394 8.221 -3.846 1.00 0.00 N ATOM 1547 CA GLU A 100 10.059 9.333 -3.155 1.00 0.00 C ATOM 1548 C GLU A 100 9.477 9.584 -1.756 1.00 0.00 C ATOM 1549 O GLU A 100 10.189 10.081 -0.869 1.00 0.00 O ATOM 1550 CB GLU A 100 10.010 10.612 -4.005 1.00 0.00 C ATOM 1551 CG GLU A 100 10.782 10.518 -5.337 1.00 0.00 C ATOM 1552 CD GLU A 100 12.293 10.264 -5.141 1.00 0.00 C ATOM 1553 OE1 GLU A 100 13.034 11.239 -4.895 1.00 0.00 O ATOM 1554 OE2 GLU A 100 12.739 9.097 -5.206 1.00 0.00 O ATOM 0 H GLU A 100 8.802 8.516 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 100 11.101 9.045 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.969 10.853 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.415 11.438 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.359 9.714 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.644 11.443 -5.897 1.00 0.00 H new ATOM 1561 N ASP A 101 8.190 9.262 -1.573 1.00 0.00 N ATOM 1562 CA ASP A 101 7.536 9.342 -0.257 1.00 0.00 C ATOM 1563 C ASP A 101 8.116 8.271 0.687 1.00 0.00 C ATOM 1564 O ASP A 101 8.569 8.593 1.777 1.00 0.00 O ATOM 1565 CB ASP A 101 6.001 9.187 -0.389 1.00 0.00 C ATOM 1566 CG ASP A 101 5.283 9.189 0.976 1.00 0.00 C ATOM 1567 OD1 ASP A 101 5.127 10.276 1.580 1.00 0.00 O ATOM 1568 OD2 ASP A 101 4.889 8.104 1.461 1.00 0.00 O ATOM 0 H ASP A 101 7.577 8.942 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 101 7.734 10.326 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.609 9.999 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.777 8.257 -0.911 1.00 0.00 H new ATOM 1573 N ILE A 102 8.092 6.999 0.242 1.00 0.00 N ATOM 1574 CA ILE A 102 8.623 5.843 1.007 1.00 0.00 C ATOM 1575 C ILE A 102 10.104 6.060 1.408 1.00 0.00 C ATOM 1576 O ILE A 102 10.471 5.889 2.570 1.00 0.00 O ATOM 1577 CB ILE A 102 8.486 4.505 0.176 1.00 0.00 C ATOM 1578 CG1 ILE A 102 6.997 4.231 -0.216 1.00 0.00 C ATOM 1579 CG2 ILE A 102 9.074 3.288 0.937 1.00 0.00 C ATOM 1580 CD1 ILE A 102 6.793 3.061 -1.173 1.00 0.00 C ATOM 0 H ILE A 102 7.702 6.739 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 102 8.028 5.759 1.917 1.00 0.00 H new ATOM 0 HB ILE A 102 9.066 4.640 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.425 4.043 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.584 5.131 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.959 2.390 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.132 3.459 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.544 3.159 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.730 2.947 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.332 3.252 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.171 2.147 -0.715 1.00 0.00 H new ATOM 1592 N ARG A 103 10.929 6.487 0.432 1.00 0.00 N ATOM 1593 CA ARG A 103 12.381 6.690 0.644 1.00 0.00 C ATOM 1594 C ARG A 103 12.627 7.807 1.684 1.00 0.00 C ATOM 1595 O ARG A 103 13.649 7.810 2.375 1.00 0.00 O ATOM 1596 CB ARG A 103 13.132 6.915 -0.709 1.00 0.00 C ATOM 1597 CG ARG A 103 12.935 8.268 -1.425 1.00 0.00 C ATOM 1598 CD ARG A 103 14.000 9.318 -1.083 1.00 0.00 C ATOM 1599 NE ARG A 103 13.879 10.504 -1.949 1.00 0.00 N ATOM 1600 CZ ARG A 103 14.680 11.579 -1.918 1.00 0.00 C ATOM 1601 NH1 ARG A 103 15.704 11.642 -1.075 1.00 0.00 N ATOM 1602 NH2 ARG A 103 14.455 12.587 -2.743 1.00 0.00 N ATOM 0 H ARG A 103 10.616 6.699 -0.515 1.00 0.00 H new ATOM 0 HA ARG A 103 12.807 5.778 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.199 6.785 -0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.828 6.125 -1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.938 8.101 -2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.953 8.664 -1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.899 9.615 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.993 8.882 -1.196 1.00 0.00 H new ATOM 0 HE ARG A 103 13.120 10.508 -2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.890 10.866 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.305 12.466 -1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.675 12.545 -3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.061 13.407 -2.724 1.00 0.00 H new ATOM 1616 N ALA A 104 11.670 8.756 1.763 1.00 0.00 N ATOM 1617 CA ALA A 104 11.687 9.856 2.739 1.00 0.00 C ATOM 1618 C ALA A 104 11.271 9.394 4.158 1.00 0.00 C ATOM 1619 O ALA A 104 11.986 9.637 5.126 1.00 0.00 O ATOM 1620 CB ALA A 104 10.768 10.987 2.261 1.00 0.00 C ATOM 0 H ALA A 104 10.859 8.777 1.144 1.00 0.00 H new ATOM 0 HA ALA A 104 12.713 10.216 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.784 11.800 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.116 11.356 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.750 10.610 2.160 1.00 0.00 H new ATOM 1626 N LYS A 105 10.086 8.759 4.278 1.00 0.00 N ATOM 1627 CA LYS A 105 9.486 8.386 5.583 1.00 0.00 C ATOM 1628 C LYS A 105 10.269 7.291 6.326 1.00 0.00 C ATOM 1629 O LYS A 105 10.344 7.304 7.557 1.00 0.00 O ATOM 1630 CB LYS A 105 8.005 7.943 5.382 1.00 0.00 C ATOM 1631 CG LYS A 105 7.121 8.938 4.584 1.00 0.00 C ATOM 1632 CD LYS A 105 7.200 10.387 5.117 1.00 0.00 C ATOM 1633 CE LYS A 105 6.644 10.535 6.540 1.00 0.00 C ATOM 1634 NZ LYS A 105 5.198 10.199 6.619 1.00 0.00 N ATOM 0 H LYS A 105 9.516 8.489 3.476 1.00 0.00 H new ATOM 0 HA LYS A 105 9.530 9.276 6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.996 6.982 4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.553 7.785 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.426 8.926 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.085 8.601 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 105 8.239 10.717 5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.647 11.045 4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.203 9.887 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.796 11.559 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.836 10.442 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.676 10.738 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.068 9.181 6.450 1.00 0.00 H new ATOM 1648 N LEU A 106 10.804 6.322 5.576 1.00 0.00 N ATOM 1649 CA LEU A 106 11.698 5.285 6.136 1.00 0.00 C ATOM 1650 C LEU A 106 13.067 5.889 6.551 1.00 0.00 C ATOM 1651 O LEU A 106 13.754 5.353 7.426 1.00 0.00 O ATOM 1652 CB LEU A 106 11.861 4.089 5.142 1.00 0.00 C ATOM 1653 CG LEU A 106 10.653 3.086 5.038 1.00 0.00 C ATOM 1654 CD1 LEU A 106 10.420 2.339 6.365 1.00 0.00 C ATOM 1655 CD2 LEU A 106 9.355 3.773 4.570 1.00 0.00 C ATOM 0 H LEU A 106 10.637 6.228 4.574 1.00 0.00 H new ATOM 0 HA LEU A 106 11.236 4.891 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.052 4.496 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.748 3.525 5.431 1.00 0.00 H new ATOM 0 HG LEU A 106 10.928 2.356 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.578 1.656 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.315 1.774 6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.202 3.059 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.553 3.037 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.082 4.555 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.511 4.213 3.585 1.00 0.00 H new ATOM 1667 N HIS A 107 13.432 7.021 5.915 1.00 0.00 N ATOM 1668 CA HIS A 107 14.589 7.866 6.321 1.00 0.00 C ATOM 1669 C HIS A 107 14.207 8.714 7.571 1.00 0.00 C ATOM 1670 O HIS A 107 15.080 9.264 8.248 1.00 0.00 O ATOM 1671 CB HIS A 107 15.003 8.768 5.124 1.00 0.00 C ATOM 1672 CG HIS A 107 16.267 9.586 5.285 1.00 0.00 C ATOM 1673 ND1 HIS A 107 17.501 9.150 4.842 1.00 0.00 N ATOM 1674 CD2 HIS A 107 16.475 10.832 5.784 1.00 0.00 C ATOM 1675 CE1 HIS A 107 18.404 10.089 5.061 1.00 0.00 C ATOM 1676 NE2 HIS A 107 17.807 11.117 5.630 1.00 0.00 N ATOM 0 H HIS A 107 12.934 7.382 5.101 1.00 0.00 H new ATOM 0 HA HIS A 107 15.439 7.240 6.591 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.120 8.133 4.246 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.181 9.452 4.915 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.729 11.479 6.221 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.454 10.025 4.815 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.263 11.985 5.911 1.00 0.00 H new ATOM 1685 N ALA A 108 12.872 8.829 7.807 1.00 0.00 N ATOM 1686 CA ALA A 108 12.238 9.501 8.975 1.00 0.00 C ATOM 1687 C ALA A 108 12.302 11.035 8.880 1.00 0.00 C ATOM 1688 O ALA A 108 11.976 11.745 9.840 1.00 0.00 O ATOM 1689 CB ALA A 108 12.802 8.978 10.312 1.00 0.00 C ATOM 0 H ALA A 108 12.181 8.441 7.164 1.00 0.00 H new ATOM 0 HA ALA A 108 11.180 9.238 8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 108 12.314 9.493 11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 108 12.616 7.907 10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.875 9.164 10.352 1.00 0.00 H new ATOM 1727 N GLY A 111 12.357 13.830 1.928 1.00 0.00 N ATOM 1728 CA GLY A 111 13.368 13.398 0.949 1.00 0.00 C ATOM 1729 C GLY A 111 14.217 14.526 0.375 1.00 0.00 C ATOM 1730 O GLY A 111 15.319 14.287 -0.129 1.00 0.00 O ATOM 0 HA2 GLY A 111 14.027 12.670 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 111 12.865 12.886 0.129 1.00 0.00 H new ATOM 1734 N GLU A 112 13.701 15.753 0.463 1.00 0.00 N ATOM 1735 CA GLU A 112 14.391 16.966 0.011 1.00 0.00 C ATOM 1736 C GLU A 112 13.980 18.152 0.909 1.00 0.00 C ATOM 1737 O GLU A 112 12.909 18.102 1.537 1.00 0.00 O ATOM 1738 CB GLU A 112 14.050 17.235 -1.483 1.00 0.00 C ATOM 1739 CG GLU A 112 12.549 17.426 -1.781 1.00 0.00 C ATOM 1740 CD GLU A 112 12.245 17.582 -3.279 1.00 0.00 C ATOM 1741 OE1 GLU A 112 12.540 18.658 -3.850 1.00 0.00 O ATOM 1742 OE2 GLU A 112 11.712 16.635 -3.897 1.00 0.00 O ATOM 0 H GLU A 112 12.778 15.937 0.856 1.00 0.00 H new ATOM 0 HA GLU A 112 15.470 16.837 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 112 14.587 18.126 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 112 14.422 16.403 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.996 16.571 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.189 18.307 -1.250 1.00 0.00 H new ATOM 1749 N PRO A 113 14.842 19.214 1.042 1.00 0.00 N ATOM 1750 CA PRO A 113 14.444 20.486 1.690 1.00 0.00 C ATOM 1751 C PRO A 113 13.316 21.184 0.900 1.00 0.00 C ATOM 1752 O PRO A 113 13.247 21.049 -0.331 1.00 0.00 O ATOM 1753 CB PRO A 113 15.750 21.332 1.686 1.00 0.00 C ATOM 1754 CG PRO A 113 16.850 20.328 1.506 1.00 0.00 C ATOM 1755 CD PRO A 113 16.267 19.256 0.615 1.00 0.00 C ATOM 0 HA PRO A 113 14.046 20.341 2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.746 22.064 0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 113 15.867 21.885 2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 113 17.729 20.784 1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 113 17.166 19.915 2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 113 16.366 19.509 -0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 113 16.762 18.296 0.760 1.00 0.00 H new ATOM 1763 N VAL A 114 12.443 21.922 1.609 1.00 0.00 N ATOM 1764 CA VAL A 114 11.298 22.612 0.983 1.00 0.00 C ATOM 1765 C VAL A 114 11.805 23.773 0.096 1.00 0.00 C ATOM 1766 O VAL A 114 12.800 24.436 0.427 1.00 0.00 O ATOM 1767 CB VAL A 114 10.258 23.114 2.064 1.00 0.00 C ATOM 1768 CG1 VAL A 114 10.804 24.293 2.907 1.00 0.00 C ATOM 1769 CG2 VAL A 114 8.892 23.459 1.417 1.00 0.00 C ATOM 0 H VAL A 114 12.508 22.057 2.618 1.00 0.00 H new ATOM 0 HA VAL A 114 10.769 21.900 0.350 1.00 0.00 H new ATOM 0 HB VAL A 114 10.098 22.286 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.052 24.600 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 114 11.707 23.979 3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.038 25.132 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 114 8.201 23.801 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.029 24.247 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.485 22.572 0.932 1.00 0.00 H new ATOM 1779 N ASP A 115 11.142 23.991 -1.048 1.00 0.00 N ATOM 1780 CA ASP A 115 11.584 24.975 -2.065 1.00 0.00 C ATOM 1781 C ASP A 115 10.594 26.143 -2.204 1.00 0.00 C ATOM 1782 O ASP A 115 10.640 26.867 -3.197 1.00 0.00 O ATOM 1783 CB ASP A 115 11.799 24.255 -3.434 1.00 0.00 C ATOM 1784 CG ASP A 115 10.500 23.742 -4.101 1.00 0.00 C ATOM 1785 OD1 ASP A 115 9.748 22.980 -3.454 1.00 0.00 O ATOM 1786 OD2 ASP A 115 10.222 24.103 -5.266 1.00 0.00 O ATOM 0 H ASP A 115 10.287 23.496 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 115 12.530 25.404 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.296 24.943 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.473 23.412 -3.285 1.00 0.00 H new ATOM 1791 N LEU A 116 9.756 26.366 -1.166 1.00 0.00 N ATOM 1792 CA LEU A 116 8.675 27.386 -1.188 1.00 0.00 C ATOM 1793 C LEU A 116 9.215 28.808 -1.479 1.00 0.00 C ATOM 1794 O LEU A 116 8.598 29.569 -2.226 1.00 0.00 O ATOM 1795 CB LEU A 116 7.826 27.320 0.135 1.00 0.00 C ATOM 1796 CG LEU A 116 8.575 27.478 1.519 1.00 0.00 C ATOM 1797 CD1 LEU A 116 8.878 28.947 1.881 1.00 0.00 C ATOM 1798 CD2 LEU A 116 7.790 26.802 2.666 1.00 0.00 C ATOM 0 H LEU A 116 9.807 25.847 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 116 8.009 27.150 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.064 28.097 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 116 7.305 26.363 0.147 1.00 0.00 H new ATOM 0 HG LEU A 116 9.533 26.972 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.392 28.986 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.512 29.388 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.944 29.506 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.333 26.929 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.805 27.260 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.678 25.739 2.453 1.00 0.00 H new ATOM 1810 N GLU A 117 10.407 29.122 -0.926 1.00 0.00 N ATOM 1811 CA GLU A 117 11.048 30.448 -1.067 1.00 0.00 C ATOM 1812 C GLU A 117 11.907 30.513 -2.351 1.00 0.00 C ATOM 1813 O GLU A 117 12.273 31.601 -2.808 1.00 0.00 O ATOM 1814 CB GLU A 117 11.933 30.741 0.180 1.00 0.00 C ATOM 1815 CG GLU A 117 12.445 32.196 0.305 1.00 0.00 C ATOM 1816 CD GLU A 117 13.514 32.373 1.402 1.00 0.00 C ATOM 1817 OE1 GLU A 117 13.164 32.323 2.608 1.00 0.00 O ATOM 1818 OE2 GLU A 117 14.703 32.570 1.068 1.00 0.00 O ATOM 0 H GLU A 117 10.952 28.463 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 117 10.265 31.203 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.361 30.497 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.793 30.072 0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 117 12.861 32.511 -0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 117 11.602 32.853 0.519 1.00 0.00 H new ATOM 1825 N ARG A 118 12.196 29.341 -2.949 1.00 0.00 N ATOM 1826 CA ARG A 118 13.133 29.225 -4.088 1.00 0.00 C ATOM 1827 C ARG A 118 12.430 29.612 -5.411 1.00 0.00 C ATOM 1828 O ARG A 118 13.076 29.778 -6.447 1.00 0.00 O ATOM 1829 CB ARG A 118 13.730 27.788 -4.139 1.00 0.00 C ATOM 1830 CG ARG A 118 14.994 27.638 -5.023 1.00 0.00 C ATOM 1831 CD ARG A 118 16.210 28.404 -4.465 1.00 0.00 C ATOM 1832 NE ARG A 118 17.347 28.390 -5.411 1.00 0.00 N ATOM 1833 CZ ARG A 118 18.650 28.499 -5.077 1.00 0.00 C ATOM 1834 NH1 ARG A 118 19.032 28.524 -3.805 1.00 0.00 N ATOM 1835 NH2 ARG A 118 19.566 28.546 -6.035 1.00 0.00 N ATOM 0 H ARG A 118 11.790 28.451 -2.660 1.00 0.00 H new ATOM 0 HA ARG A 118 13.959 29.922 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 118 13.975 27.476 -3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.964 27.105 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 118 15.246 26.581 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.774 27.999 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 118 15.925 29.435 -4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.518 27.958 -3.519 1.00 0.00 H new ATOM 0 HE ARG A 118 17.127 28.289 -6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 118 18.336 28.460 -3.062 1.00 0.00 H new ATOM 0 HH12 ARG A 118 20.021 28.607 -3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 118 19.283 28.500 -7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 118 20.553 28.628 -5.793 1.00 0.00 H new ATOM 1849 N ILE A 119 11.091 29.733 -5.360 1.00 0.00 N ATOM 1850 CA ILE A 119 10.293 30.361 -6.433 1.00 0.00 C ATOM 1851 C ILE A 119 10.265 31.884 -6.195 1.00 0.00 C ATOM 1852 O ILE A 119 10.344 32.683 -7.132 1.00 0.00 O ATOM 1853 CB ILE A 119 8.815 29.784 -6.510 1.00 0.00 C ATOM 1854 CG1 ILE A 119 8.802 28.273 -6.927 1.00 0.00 C ATOM 1855 CG2 ILE A 119 7.925 30.607 -7.482 1.00 0.00 C ATOM 1856 CD1 ILE A 119 9.223 27.297 -5.856 1.00 0.00 C ATOM 0 H ILE A 119 10.531 29.399 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 119 10.762 30.132 -7.390 1.00 0.00 H new ATOM 0 HB ILE A 119 8.399 29.869 -5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.795 28.014 -7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 119 9.459 28.146 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 119 6.922 30.180 -7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.871 31.640 -7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.356 30.578 -8.483 1.00 0.00 H new ATOM 0 HD11 ILE A 119 9.178 26.282 -6.251 1.00 0.00 H new ATOM 0 HD12 ILE A 119 10.243 27.519 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.553 27.384 -5.001 1.00 0.00 H new ATOM 1868 N ILE A 120 10.219 32.263 -4.906 1.00 0.00 N ATOM 1869 CA ILE A 120 10.089 33.665 -4.456 1.00 0.00 C ATOM 1870 C ILE A 120 11.499 34.350 -4.371 1.00 0.00 C ATOM 1871 O ILE A 120 11.654 35.424 -3.776 1.00 0.00 O ATOM 1872 CB ILE A 120 9.324 33.705 -3.056 1.00 0.00 C ATOM 1873 CG1 ILE A 120 8.060 32.770 -3.087 1.00 0.00 C ATOM 1874 CG2 ILE A 120 8.899 35.143 -2.653 1.00 0.00 C ATOM 1875 CD1 ILE A 120 7.307 32.646 -1.765 1.00 0.00 C ATOM 0 H ILE A 120 10.272 31.597 -4.135 1.00 0.00 H new ATOM 0 HA ILE A 120 9.503 34.229 -5.182 1.00 0.00 H new ATOM 0 HB ILE A 120 10.028 33.344 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 120 7.371 33.143 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 120 8.373 31.775 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 120 8.383 35.114 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 120 9.784 35.774 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 120 8.232 35.551 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 120 6.454 31.980 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 120 7.973 32.240 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 120 6.956 33.629 -1.453 1.00 0.00 H new ATOM 1887 N ARG A 121 12.541 33.726 -4.979 1.00 0.00 N ATOM 1888 CA ARG A 121 13.893 34.326 -5.055 1.00 0.00 C ATOM 1889 C ARG A 121 13.927 35.416 -6.163 1.00 0.00 C ATOM 1890 O ARG A 121 14.069 35.125 -7.357 1.00 0.00 O ATOM 1891 CB ARG A 121 15.007 33.236 -5.248 1.00 0.00 C ATOM 1892 CG ARG A 121 14.945 32.404 -6.553 1.00 0.00 C ATOM 1893 CD ARG A 121 16.114 31.409 -6.695 1.00 0.00 C ATOM 1894 NE ARG A 121 17.440 32.069 -6.632 1.00 0.00 N ATOM 1895 CZ ARG A 121 18.539 31.684 -7.307 1.00 0.00 C ATOM 1896 NH1 ARG A 121 18.484 30.693 -8.184 1.00 0.00 N ATOM 1897 NH2 ARG A 121 19.686 32.315 -7.112 1.00 0.00 N ATOM 0 H ARG A 121 12.468 32.810 -5.422 1.00 0.00 H new ATOM 0 HA ARG A 121 14.113 34.809 -4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 121 15.978 33.730 -5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 121 14.961 32.549 -4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 121 14.004 31.855 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 121 14.946 33.080 -7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 121 16.047 30.662 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 121 16.021 30.879 -7.643 1.00 0.00 H new ATOM 0 HE ARG A 121 17.527 32.884 -6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 121 17.601 30.211 -8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 121 19.324 30.411 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 121 19.735 33.091 -6.452 1.00 0.00 H new ATOM 0 HH22 ARG A 121 20.520 32.025 -7.622 1.00 0.00 H new