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 Set 1.1: A 24 ASN : amide:sc= -3.28! K(o=-3.4!,f=-0.17) USER MOD Set 1.2: A 26 HIS : no HD1:sc= -0.124 X(o=-3.4,f=-3.5) USER MOD Single : A 9 HIS : no HE2:sc= -0.0646 K(o=-0.065,f=-2.5!) USER MOD Single : A 11 HIS : no HD1:sc= -0.521 K(o=-0.52,f=-1.4) USER MOD Single : A 21 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.02) USER MOD Single : A 29 TYR OH : rot -43:sc= 1.9 USER MOD Single : A 33 GLN : amide:sc= -1.03 K(o=-1,f=-0.41) USER MOD Single : A 34 ASN : amide:sc= -3.08! C(o=-3.1!,f=-8.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -154:sc= -0.116 USER MOD Single : A 42 HIS : no HE2:sc= 0.218 K(o=0.22,f=-1.4) USER MOD Single : A 45 MET CE :methyl -152:sc= -1.61 (180deg=-2.29!) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 0.0238 (180deg=-0.138) USER MOD Single : A 55 SER OG : rot 39:sc= 0.131 USER MOD Single : A 57 SER OG : rot 28:sc= 0.147 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 67 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.31) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 106:sc= 1.05 USER MOD Single : A 77 GLN : amide:sc= -0.276 K(o=-0.28,f=-0.79) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -0.0188 K(o=-0.019,f=-1.5) USER MOD Single : A 95 TYR OH : rot 9:sc= 0.896 USER MOD Single : A 98 MET CE :methyl 135:sc= -0.156 (180deg=-1.48!) USER MOD Single : A 105 LYS NZ :NH3+ -163:sc= -0.708 (180deg=-1.39!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -4.322 9.368 -4.818 1.00 0.00 N ATOM 63 CA PHE A 5 -3.213 9.108 -3.876 1.00 0.00 C ATOM 64 C PHE A 5 -3.111 10.257 -2.852 1.00 0.00 C ATOM 65 O PHE A 5 -3.380 11.417 -3.185 1.00 0.00 O ATOM 66 CB PHE A 5 -1.857 8.927 -4.624 1.00 0.00 C ATOM 67 CG PHE A 5 -0.674 8.741 -3.670 1.00 0.00 C ATOM 68 CD1 PHE A 5 -0.585 7.602 -2.871 1.00 0.00 C ATOM 69 CD2 PHE A 5 0.304 9.729 -3.528 1.00 0.00 C ATOM 70 CE1 PHE A 5 0.437 7.461 -1.961 1.00 0.00 C ATOM 71 CE2 PHE A 5 1.332 9.579 -2.623 1.00 0.00 C ATOM 72 CZ PHE A 5 1.396 8.447 -1.838 1.00 0.00 C ATOM 0 HA PHE A 5 -3.428 8.177 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.924 8.063 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.676 9.797 -5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.326 6.822 -2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.253 10.621 -4.135 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.489 6.578 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.086 10.346 -2.529 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.199 8.331 -1.125 1.00 0.00 H new ATOM 82 N GLU A 6 -2.718 9.910 -1.614 1.00 0.00 N ATOM 83 CA GLU A 6 -2.458 10.866 -0.528 1.00 0.00 C ATOM 84 C GLU A 6 -1.486 10.226 0.500 1.00 0.00 C ATOM 85 O GLU A 6 -1.429 8.997 0.593 1.00 0.00 O ATOM 86 CB GLU A 6 -3.799 11.292 0.137 1.00 0.00 C ATOM 87 CG GLU A 6 -4.615 10.137 0.746 1.00 0.00 C ATOM 88 CD GLU A 6 -5.978 10.591 1.273 1.00 0.00 C ATOM 89 OE1 GLU A 6 -6.041 11.135 2.397 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.990 10.447 0.551 1.00 0.00 O ATOM 0 H GLU A 6 -2.570 8.940 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.988 11.765 -0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.585 12.019 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.413 11.798 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.761 9.363 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.047 9.686 1.560 1.00 0.00 H new ATOM 97 N PRO A 7 -0.666 11.041 1.246 1.00 0.00 N ATOM 98 CA PRO A 7 0.234 10.523 2.312 1.00 0.00 C ATOM 99 C PRO A 7 -0.528 9.732 3.409 1.00 0.00 C ATOM 100 O PRO A 7 -1.131 10.320 4.319 1.00 0.00 O ATOM 101 CB PRO A 7 0.897 11.806 2.889 1.00 0.00 C ATOM 102 CG PRO A 7 0.802 12.802 1.773 1.00 0.00 C ATOM 103 CD PRO A 7 -0.512 12.511 1.084 1.00 0.00 C ATOM 0 HA PRO A 7 0.957 9.806 1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.377 12.156 3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.933 11.625 3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.828 13.823 2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.639 12.699 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.337 13.055 1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.488 12.799 0.033 1.00 0.00 H new ATOM 111 N GLY A 8 -0.534 8.395 3.265 1.00 0.00 N ATOM 112 CA GLY A 8 -1.154 7.479 4.228 1.00 0.00 C ATOM 113 C GLY A 8 -2.116 6.486 3.573 1.00 0.00 C ATOM 114 O GLY A 8 -2.366 5.403 4.132 1.00 0.00 O ATOM 0 H GLY A 8 -0.105 7.920 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.373 6.928 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.693 8.059 4.977 1.00 0.00 H new ATOM 118 N HIS A 9 -2.632 6.827 2.367 1.00 0.00 N ATOM 119 CA HIS A 9 -3.700 6.040 1.705 1.00 0.00 C ATOM 120 C HIS A 9 -3.703 6.218 0.161 1.00 0.00 C ATOM 121 O HIS A 9 -3.312 7.257 -0.360 1.00 0.00 O ATOM 122 CB HIS A 9 -5.080 6.440 2.297 1.00 0.00 C ATOM 123 CG HIS A 9 -6.226 5.567 1.861 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.038 5.859 0.791 1.00 0.00 N ATOM 125 CD2 HIS A 9 -6.685 4.404 2.364 1.00 0.00 C ATOM 126 CE1 HIS A 9 -7.944 4.916 0.661 1.00 0.00 C ATOM 127 NE2 HIS A 9 -7.759 4.015 1.604 1.00 0.00 N ATOM 0 H HIS A 9 -2.326 7.641 1.834 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.502 4.986 1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.015 6.415 3.385 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.297 7.470 2.014 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -6.951 6.680 0.191 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.280 3.873 3.213 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.714 4.885 -0.095 1.00 0.00 H new ATOM 136 N LEU A 10 -4.174 5.174 -0.539 1.00 0.00 N ATOM 137 CA LEU A 10 -4.352 5.128 -1.998 1.00 0.00 C ATOM 138 C LEU A 10 -5.730 4.483 -2.276 1.00 0.00 C ATOM 139 O LEU A 10 -6.069 3.457 -1.683 1.00 0.00 O ATOM 140 CB LEU A 10 -3.202 4.298 -2.649 1.00 0.00 C ATOM 141 CG LEU A 10 -3.314 4.028 -4.189 1.00 0.00 C ATOM 142 CD1 LEU A 10 -3.337 5.342 -4.997 1.00 0.00 C ATOM 143 CD2 LEU A 10 -2.178 3.095 -4.673 1.00 0.00 C ATOM 0 H LEU A 10 -4.452 4.304 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.316 6.129 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.261 4.815 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.145 3.337 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.263 3.522 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.415 5.114 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.193 5.943 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.418 5.899 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.279 2.924 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.214 3.560 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.240 2.143 -4.146 1.00 0.00 H new ATOM 155 N HIS A 11 -6.535 5.112 -3.140 1.00 0.00 N ATOM 156 CA HIS A 11 -7.918 4.679 -3.432 1.00 0.00 C ATOM 157 C HIS A 11 -8.034 4.194 -4.891 1.00 0.00 C ATOM 158 O HIS A 11 -7.447 4.794 -5.796 1.00 0.00 O ATOM 159 CB HIS A 11 -8.895 5.859 -3.156 1.00 0.00 C ATOM 160 CG HIS A 11 -10.368 5.506 -3.177 1.00 0.00 C ATOM 161 ND1 HIS A 11 -11.362 6.442 -3.380 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.015 4.329 -2.959 1.00 0.00 C ATOM 163 CE1 HIS A 11 -12.539 5.861 -3.284 1.00 0.00 C ATOM 164 NE2 HIS A 11 -12.356 4.586 -3.028 1.00 0.00 N ATOM 0 H HIS A 11 -6.250 5.941 -3.662 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.182 3.843 -2.784 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -8.656 6.286 -2.182 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.715 6.637 -3.898 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.555 3.371 -2.767 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -13.495 6.351 -3.397 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -13.097 3.897 -2.901 1.00 0.00 H new ATOM 173 N LEU A 12 -8.804 3.100 -5.078 1.00 0.00 N ATOM 174 CA LEU A 12 -9.170 2.516 -6.391 1.00 0.00 C ATOM 175 C LEU A 12 -10.682 2.230 -6.313 1.00 0.00 C ATOM 176 O LEU A 12 -11.099 1.540 -5.367 1.00 0.00 O ATOM 177 CB LEU A 12 -8.419 1.167 -6.653 1.00 0.00 C ATOM 178 CG LEU A 12 -6.876 1.134 -6.416 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.333 -0.304 -6.584 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.125 2.123 -7.338 1.00 0.00 C ATOM 0 H LEU A 12 -9.202 2.581 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.903 3.200 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.871 0.404 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.605 0.875 -7.687 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.695 1.456 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.256 -0.308 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.816 -0.962 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.543 -0.657 -7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.055 2.066 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.314 1.864 -8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.476 3.137 -7.147 1.00 0.00 H new ATOM 192 N VAL A 13 -11.521 2.746 -7.241 1.00 0.00 N ATOM 193 CA VAL A 13 -12.991 2.576 -7.097 1.00 0.00 C ATOM 194 C VAL A 13 -13.765 2.546 -8.440 1.00 0.00 C ATOM 195 O VAL A 13 -13.295 3.011 -9.481 1.00 0.00 O ATOM 196 CB VAL A 13 -13.599 3.683 -6.142 1.00 0.00 C ATOM 197 CG1 VAL A 13 -13.694 5.063 -6.828 1.00 0.00 C ATOM 198 CG2 VAL A 13 -14.962 3.255 -5.522 1.00 0.00 C ATOM 0 H VAL A 13 -11.224 3.264 -8.068 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.122 1.590 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.896 3.785 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.117 5.787 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.699 5.389 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.334 4.989 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.334 4.050 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.682 3.069 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.826 2.346 -4.936 1.00 0.00 H new ATOM 307 N GLN A 21 -18.343 -3.344 -13.406 1.00 0.00 N ATOM 308 CA GLN A 21 -18.449 -4.162 -12.189 1.00 0.00 C ATOM 309 C GLN A 21 -18.303 -3.276 -10.936 1.00 0.00 C ATOM 310 O GLN A 21 -17.719 -2.179 -10.993 1.00 0.00 O ATOM 311 CB GLN A 21 -17.366 -5.269 -12.200 1.00 0.00 C ATOM 312 CG GLN A 21 -15.929 -4.764 -12.004 1.00 0.00 C ATOM 313 CD GLN A 21 -14.899 -5.882 -12.055 1.00 0.00 C ATOM 314 OE1 GLN A 21 -14.327 -6.177 -13.102 1.00 0.00 O ATOM 315 NE2 GLN A 21 -14.694 -6.548 -10.931 1.00 0.00 N ATOM 0 HA GLN A 21 -19.431 -4.634 -12.164 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -17.594 -5.989 -11.414 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -17.422 -5.804 -13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.699 -4.029 -12.775 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.856 -4.253 -11.044 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -15.186 -6.276 -10.080 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.044 -7.334 -10.915 1.00 0.00 H new ATOM 324 N ASP A 22 -18.862 -3.758 -9.819 1.00 0.00 N ATOM 325 CA ASP A 22 -18.756 -3.106 -8.503 1.00 0.00 C ATOM 326 C ASP A 22 -17.386 -3.396 -7.872 1.00 0.00 C ATOM 327 O ASP A 22 -17.160 -4.489 -7.372 1.00 0.00 O ATOM 328 CB ASP A 22 -19.882 -3.611 -7.556 1.00 0.00 C ATOM 329 CG ASP A 22 -21.293 -3.254 -8.045 1.00 0.00 C ATOM 330 OD1 ASP A 22 -21.806 -3.939 -8.956 1.00 0.00 O ATOM 331 OD2 ASP A 22 -21.898 -2.293 -7.524 1.00 0.00 O ATOM 0 H ASP A 22 -19.407 -4.620 -9.801 1.00 0.00 H new ATOM 0 HA ASP A 22 -18.864 -2.031 -8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.803 -4.693 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.731 -3.186 -6.564 1.00 0.00 H new ATOM 336 N ILE A 23 -16.458 -2.437 -7.946 1.00 0.00 N ATOM 337 CA ILE A 23 -15.184 -2.496 -7.198 1.00 0.00 C ATOM 338 C ILE A 23 -15.107 -1.330 -6.201 1.00 0.00 C ATOM 339 O ILE A 23 -15.628 -0.241 -6.450 1.00 0.00 O ATOM 340 CB ILE A 23 -13.905 -2.444 -8.131 1.00 0.00 C ATOM 341 CG1 ILE A 23 -13.893 -1.151 -9.015 1.00 0.00 C ATOM 342 CG2 ILE A 23 -13.789 -3.720 -9.005 1.00 0.00 C ATOM 343 CD1 ILE A 23 -12.538 -0.764 -9.564 1.00 0.00 C ATOM 0 H ILE A 23 -16.561 -1.600 -8.520 1.00 0.00 H new ATOM 0 HA ILE A 23 -15.179 -3.457 -6.683 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.031 -2.408 -7.481 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.579 -1.294 -9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.279 -0.321 -8.423 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.901 -3.651 -9.633 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.711 -4.596 -8.361 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.673 -3.810 -9.636 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.633 0.142 -10.162 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.849 -0.584 -8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.154 -1.571 -10.188 1.00 0.00 H new ATOM 355 N ASN A 24 -14.491 -1.601 -5.061 1.00 0.00 N ATOM 356 CA ASN A 24 -14.003 -0.580 -4.136 1.00 0.00 C ATOM 357 C ASN A 24 -12.834 -1.189 -3.373 1.00 0.00 C ATOM 358 O ASN A 24 -12.946 -2.297 -2.831 1.00 0.00 O ATOM 359 CB ASN A 24 -15.126 -0.039 -3.205 1.00 0.00 C ATOM 360 CG ASN A 24 -15.669 -1.057 -2.211 1.00 0.00 C ATOM 361 OD1 ASN A 24 -15.323 -1.045 -1.033 1.00 0.00 O ATOM 362 ND2 ASN A 24 -16.484 -1.979 -2.688 1.00 0.00 N ATOM 0 H ASN A 24 -14.311 -2.553 -4.743 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.665 0.300 -4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.741 0.819 -2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.949 0.322 -3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -16.845 -2.708 -2.073 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.753 -1.962 -3.672 1.00 0.00 H new ATOM 369 N ILE A 25 -11.687 -0.501 -3.399 1.00 0.00 N ATOM 370 CA ILE A 25 -10.415 -1.018 -2.878 1.00 0.00 C ATOM 371 C ILE A 25 -9.719 0.133 -2.149 1.00 0.00 C ATOM 372 O ILE A 25 -9.395 1.170 -2.752 1.00 0.00 O ATOM 373 CB ILE A 25 -9.471 -1.569 -4.024 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.242 -2.579 -4.942 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.194 -2.230 -3.424 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.506 -2.994 -6.198 1.00 0.00 C ATOM 0 H ILE A 25 -11.614 0.440 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.620 -1.856 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.157 -0.724 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.471 -3.473 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.194 -2.132 -5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.562 -2.600 -4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.642 -1.493 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.483 -3.060 -2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.120 -3.693 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.301 -2.114 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.566 -3.475 -5.927 1.00 0.00 H new ATOM 388 N HIS A 26 -9.543 -0.043 -0.845 1.00 0.00 N ATOM 389 CA HIS A 26 -8.924 0.944 0.035 1.00 0.00 C ATOM 390 C HIS A 26 -7.513 0.441 0.328 1.00 0.00 C ATOM 391 O HIS A 26 -7.382 -0.668 0.825 1.00 0.00 O ATOM 392 CB HIS A 26 -9.747 1.068 1.356 1.00 0.00 C ATOM 393 CG HIS A 26 -11.256 1.056 1.194 1.00 0.00 C ATOM 394 ND1 HIS A 26 -12.097 0.538 2.153 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.066 1.463 0.183 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.342 0.620 1.739 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.355 1.177 0.549 1.00 0.00 N ATOM 0 H HIS A 26 -9.832 -0.892 -0.359 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.896 1.930 -0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.464 0.249 2.017 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.461 1.994 1.855 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.752 1.927 -0.740 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.211 0.285 2.286 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.187 1.365 -0.010 1.00 0.00 H new ATOM 406 N ILE A 27 -6.463 1.225 0.028 1.00 0.00 N ATOM 407 CA ILE A 27 -5.072 0.780 0.252 1.00 0.00 C ATOM 408 C ILE A 27 -4.459 1.684 1.323 1.00 0.00 C ATOM 409 O ILE A 27 -4.141 2.846 1.078 1.00 0.00 O ATOM 410 CB ILE A 27 -4.201 0.817 -1.069 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.853 -0.061 -2.192 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.732 0.378 -0.792 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.089 -0.096 -3.514 1.00 0.00 C ATOM 0 H ILE A 27 -6.547 2.162 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.083 -0.260 0.577 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.173 1.848 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.953 -1.081 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.860 0.310 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.160 0.414 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.283 1.051 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.724 -0.639 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.620 -0.729 -4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.011 0.914 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.090 -0.498 -3.346 1.00 0.00 H new ATOM 425 N ARG A 28 -4.326 1.132 2.513 1.00 0.00 N ATOM 426 CA ARG A 28 -3.726 1.791 3.677 1.00 0.00 C ATOM 427 C ARG A 28 -2.270 1.340 3.792 1.00 0.00 C ATOM 428 O ARG A 28 -1.955 0.190 3.497 1.00 0.00 O ATOM 429 CB ARG A 28 -4.558 1.381 4.920 1.00 0.00 C ATOM 430 CG ARG A 28 -4.097 1.870 6.306 1.00 0.00 C ATOM 431 CD ARG A 28 -5.106 1.424 7.386 1.00 0.00 C ATOM 432 NE ARG A 28 -4.669 1.638 8.775 1.00 0.00 N ATOM 433 CZ ARG A 28 -5.224 1.021 9.841 1.00 0.00 C ATOM 434 NH1 ARG A 28 -6.155 0.083 9.683 1.00 0.00 N ATOM 435 NH2 ARG A 28 -4.815 1.306 11.064 1.00 0.00 N ATOM 0 H ARG A 28 -4.640 0.182 2.712 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.733 2.877 3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.578 1.733 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.597 0.292 4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.109 1.469 6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.008 2.956 6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.042 1.959 7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.318 0.364 7.247 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.903 2.290 8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.460 -0.180 8.746 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.563 -0.373 10.499 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.077 1.995 11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.238 0.837 11.865 1.00 0.00 H new ATOM 449 N TYR A 29 -1.385 2.268 4.142 1.00 0.00 N ATOM 450 CA TYR A 29 0.006 1.952 4.491 1.00 0.00 C ATOM 451 C TYR A 29 0.416 2.794 5.705 1.00 0.00 C ATOM 452 O TYR A 29 0.081 3.981 5.788 1.00 0.00 O ATOM 453 CB TYR A 29 0.954 2.140 3.269 1.00 0.00 C ATOM 454 CG TYR A 29 1.036 3.554 2.676 1.00 0.00 C ATOM 455 CD1 TYR A 29 0.133 3.974 1.694 1.00 0.00 C ATOM 456 CD2 TYR A 29 2.016 4.463 3.094 1.00 0.00 C ATOM 457 CE1 TYR A 29 0.208 5.241 1.157 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.085 5.731 2.561 1.00 0.00 C ATOM 459 CZ TYR A 29 1.181 6.112 1.595 1.00 0.00 C ATOM 460 OH TYR A 29 1.237 7.377 1.084 1.00 0.00 O ATOM 0 H TYR A 29 -1.607 3.262 4.193 1.00 0.00 H new ATOM 0 HA TYR A 29 0.091 0.900 4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.958 1.836 3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.634 1.458 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.634 3.295 1.352 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.730 4.164 3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.493 5.550 0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.843 6.422 2.899 1.00 0.00 H new ATOM 0 HH TYR A 29 1.108 7.344 0.113 1.00 0.00 H new ATOM 470 N GLU A 30 1.104 2.150 6.663 1.00 0.00 N ATOM 471 CA GLU A 30 1.454 2.732 7.968 1.00 0.00 C ATOM 472 C GLU A 30 2.939 2.479 8.227 1.00 0.00 C ATOM 473 O GLU A 30 3.357 1.326 8.356 1.00 0.00 O ATOM 474 CB GLU A 30 0.622 2.060 9.090 1.00 0.00 C ATOM 475 CG GLU A 30 -0.901 2.100 8.887 1.00 0.00 C ATOM 476 CD GLU A 30 -1.644 1.314 9.966 1.00 0.00 C ATOM 477 OE1 GLU A 30 -1.944 1.890 11.032 1.00 0.00 O ATOM 478 OE2 GLU A 30 -1.914 0.112 9.762 1.00 0.00 O ATOM 0 H GLU A 30 1.438 1.193 6.549 1.00 0.00 H new ATOM 0 HA GLU A 30 1.242 3.801 7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.934 1.019 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.859 2.545 10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.240 3.136 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.147 1.691 7.907 1.00 0.00 H new ATOM 485 N VAL A 31 3.724 3.549 8.310 1.00 0.00 N ATOM 486 CA VAL A 31 5.171 3.463 8.519 1.00 0.00 C ATOM 487 C VAL A 31 5.458 3.397 10.025 1.00 0.00 C ATOM 488 O VAL A 31 5.035 4.280 10.785 1.00 0.00 O ATOM 489 CB VAL A 31 5.892 4.675 7.831 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.425 4.631 8.042 1.00 0.00 C ATOM 491 CG2 VAL A 31 5.531 4.699 6.320 1.00 0.00 C ATOM 0 H VAL A 31 3.376 4.505 8.234 1.00 0.00 H new ATOM 0 HA VAL A 31 5.564 2.556 8.059 1.00 0.00 H new ATOM 0 HB VAL A 31 5.542 5.596 8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.885 5.488 7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.647 4.664 9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.825 3.711 7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.031 5.540 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.856 3.769 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.452 4.804 6.205 1.00 0.00 H new ATOM 501 N ARG A 32 6.168 2.337 10.432 1.00 0.00 N ATOM 502 CA ARG A 32 6.389 1.972 11.845 1.00 0.00 C ATOM 503 C ARG A 32 7.716 1.188 11.954 1.00 0.00 C ATOM 504 O ARG A 32 8.306 0.821 10.935 1.00 0.00 O ATOM 505 CB ARG A 32 5.188 1.106 12.334 1.00 0.00 C ATOM 506 CG ARG A 32 5.200 0.692 13.830 1.00 0.00 C ATOM 507 CD ARG A 32 4.337 -0.548 14.090 1.00 0.00 C ATOM 508 NE ARG A 32 4.490 -1.061 15.457 1.00 0.00 N ATOM 509 CZ ARG A 32 4.835 -2.323 15.784 1.00 0.00 C ATOM 510 NH1 ARG A 32 5.024 -3.241 14.839 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.977 -2.659 17.051 1.00 0.00 N ATOM 0 H ARG A 32 6.615 1.694 9.779 1.00 0.00 H new ATOM 0 HA ARG A 32 6.456 2.862 12.471 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.268 1.657 12.139 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.151 0.200 11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.225 0.492 14.143 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.837 1.520 14.438 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.290 -0.302 13.912 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.606 -1.330 13.379 1.00 0.00 H new ATOM 0 HE ARG A 32 4.321 -0.409 16.223 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.908 -2.993 13.856 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.285 -4.193 15.097 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.826 -1.965 17.783 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.238 -3.613 17.299 1.00 0.00 H new ATOM 525 N GLN A 33 8.204 0.959 13.189 1.00 0.00 N ATOM 526 CA GLN A 33 9.386 0.120 13.449 1.00 0.00 C ATOM 527 C GLN A 33 8.958 -1.228 14.067 1.00 0.00 C ATOM 528 O GLN A 33 8.208 -1.258 15.051 1.00 0.00 O ATOM 529 CB GLN A 33 10.381 0.849 14.400 1.00 0.00 C ATOM 530 CG GLN A 33 10.749 2.295 14.004 1.00 0.00 C ATOM 531 CD GLN A 33 11.453 2.405 12.655 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.671 2.319 12.566 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.691 2.649 11.599 1.00 0.00 N ATOM 0 H GLN A 33 7.788 1.352 14.034 1.00 0.00 H new ATOM 0 HA GLN A 33 9.888 -0.067 12.500 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.952 0.864 15.402 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.298 0.262 14.455 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.841 2.897 13.979 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.392 2.720 14.774 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.679 2.715 11.705 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.117 2.771 10.680 1.00 0.00 H new ATOM 542 N ASN A 34 9.412 -2.330 13.453 1.00 0.00 N ATOM 543 CA ASN A 34 9.277 -3.700 13.991 1.00 0.00 C ATOM 544 C ASN A 34 10.635 -4.142 14.581 1.00 0.00 C ATOM 545 O ASN A 34 11.690 -3.737 14.080 1.00 0.00 O ATOM 546 CB ASN A 34 8.810 -4.679 12.871 1.00 0.00 C ATOM 547 CG ASN A 34 9.876 -4.997 11.812 1.00 0.00 C ATOM 548 OD1 ASN A 34 10.453 -6.063 11.812 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.189 -4.056 10.944 1.00 0.00 N ATOM 0 H ASN A 34 9.892 -2.299 12.554 1.00 0.00 H new ATOM 0 HA ASN A 34 8.523 -3.715 14.778 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.487 -5.612 13.334 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.939 -4.252 12.374 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.927 -4.219 10.259 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.694 -3.164 10.958 1.00 0.00 H new ATOM 556 N ALA A 35 10.605 -4.966 15.636 1.00 0.00 N ATOM 557 CA ALA A 35 11.830 -5.448 16.315 1.00 0.00 C ATOM 558 C ALA A 35 12.617 -6.465 15.456 1.00 0.00 C ATOM 559 O ALA A 35 13.816 -6.669 15.669 1.00 0.00 O ATOM 560 CB ALA A 35 11.464 -6.060 17.673 1.00 0.00 C ATOM 0 H ALA A 35 9.741 -5.319 16.046 1.00 0.00 H new ATOM 0 HA ALA A 35 12.484 -4.589 16.466 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.368 -6.413 18.169 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.981 -5.305 18.294 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.782 -6.897 17.523 1.00 0.00 H new ATOM 566 N GLU A 36 11.924 -7.076 14.476 1.00 0.00 N ATOM 567 CA GLU A 36 12.466 -8.160 13.640 1.00 0.00 C ATOM 568 C GLU A 36 13.538 -7.638 12.650 1.00 0.00 C ATOM 569 O GLU A 36 14.625 -8.206 12.552 1.00 0.00 O ATOM 570 CB GLU A 36 11.289 -8.848 12.880 1.00 0.00 C ATOM 571 CG GLU A 36 11.671 -10.012 11.947 1.00 0.00 C ATOM 572 CD GLU A 36 12.286 -11.214 12.690 1.00 0.00 C ATOM 573 OE1 GLU A 36 11.524 -12.066 13.194 1.00 0.00 O ATOM 574 OE2 GLU A 36 13.536 -11.307 12.780 1.00 0.00 O ATOM 0 H GLU A 36 10.963 -6.827 14.242 1.00 0.00 H new ATOM 0 HA GLU A 36 12.962 -8.888 14.282 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.576 -9.219 13.616 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.773 -8.091 12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.783 -10.343 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.381 -9.653 11.202 1.00 0.00 H new ATOM 581 N SER A 37 13.222 -6.541 11.940 1.00 0.00 N ATOM 582 CA SER A 37 14.033 -6.040 10.802 1.00 0.00 C ATOM 583 C SER A 37 14.328 -4.522 10.894 1.00 0.00 C ATOM 584 O SER A 37 15.120 -3.993 10.099 1.00 0.00 O ATOM 585 CB SER A 37 13.291 -6.363 9.482 1.00 0.00 C ATOM 586 OG SER A 37 13.041 -7.755 9.360 1.00 0.00 O ATOM 0 H SER A 37 12.398 -5.972 12.134 1.00 0.00 H new ATOM 0 HA SER A 37 15.000 -6.542 10.833 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.348 -5.817 9.449 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.886 -6.022 8.635 1.00 0.00 H new ATOM 0 HG SER A 37 12.570 -7.930 8.519 1.00 0.00 H new ATOM 592 N GLY A 38 13.718 -3.833 11.873 1.00 0.00 N ATOM 593 CA GLY A 38 13.891 -2.380 12.040 1.00 0.00 C ATOM 594 C GLY A 38 12.739 -1.598 11.414 1.00 0.00 C ATOM 595 O GLY A 38 11.588 -1.829 11.763 1.00 0.00 O ATOM 0 H GLY A 38 13.099 -4.260 12.562 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.958 -2.141 13.101 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.831 -2.071 11.583 1.00 0.00 H new ATOM 599 N ALA A 39 13.049 -0.670 10.500 1.00 0.00 N ATOM 600 CA ALA A 39 12.032 0.130 9.782 1.00 0.00 C ATOM 601 C ALA A 39 11.211 -0.748 8.810 1.00 0.00 C ATOM 602 O ALA A 39 11.776 -1.594 8.111 1.00 0.00 O ATOM 603 CB ALA A 39 12.712 1.293 9.034 1.00 0.00 C ATOM 0 H ALA A 39 14.008 -0.448 10.233 1.00 0.00 H new ATOM 0 HA ALA A 39 11.337 0.542 10.514 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.958 1.878 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.232 1.931 9.749 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.428 0.894 8.316 1.00 0.00 H new ATOM 609 N TYR A 40 9.879 -0.539 8.780 1.00 0.00 N ATOM 610 CA TYR A 40 8.970 -1.267 7.861 1.00 0.00 C ATOM 611 C TYR A 40 7.687 -0.451 7.613 1.00 0.00 C ATOM 612 O TYR A 40 7.512 0.639 8.169 1.00 0.00 O ATOM 613 CB TYR A 40 8.625 -2.699 8.415 1.00 0.00 C ATOM 614 CG TYR A 40 7.409 -2.797 9.369 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.425 -2.211 10.634 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.242 -3.471 8.989 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.334 -2.299 11.479 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.156 -3.555 9.833 1.00 0.00 C ATOM 619 CZ TYR A 40 5.202 -2.966 11.072 1.00 0.00 C ATOM 620 OH TYR A 40 4.116 -3.056 11.913 1.00 0.00 O ATOM 0 H TYR A 40 9.404 0.131 9.384 1.00 0.00 H new ATOM 0 HA TYR A 40 9.486 -1.397 6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.447 -3.359 7.566 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.501 -3.082 8.938 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.306 -1.678 10.960 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.192 -3.934 8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.371 -1.844 12.458 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.268 -4.084 9.520 1.00 0.00 H new ATOM 0 HH TYR A 40 3.590 -3.851 11.685 1.00 0.00 H new ATOM 630 N VAL A 41 6.793 -1.000 6.760 1.00 0.00 N ATOM 631 CA VAL A 41 5.450 -0.445 6.511 1.00 0.00 C ATOM 632 C VAL A 41 4.401 -1.589 6.565 1.00 0.00 C ATOM 633 O VAL A 41 4.585 -2.633 5.921 1.00 0.00 O ATOM 634 CB VAL A 41 5.346 0.276 5.109 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.007 1.032 4.966 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.529 1.226 4.854 1.00 0.00 C ATOM 0 H VAL A 41 6.987 -1.845 6.224 1.00 0.00 H new ATOM 0 HA VAL A 41 5.258 0.298 7.285 1.00 0.00 H new ATOM 0 HB VAL A 41 5.385 -0.507 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.966 1.518 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.180 0.328 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.929 1.785 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.413 1.698 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.553 1.993 5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.461 0.661 4.875 1.00 0.00 H new ATOM 646 N HIS A 42 3.344 -1.400 7.377 1.00 0.00 N ATOM 647 CA HIS A 42 2.167 -2.298 7.421 1.00 0.00 C ATOM 648 C HIS A 42 1.131 -1.812 6.395 1.00 0.00 C ATOM 649 O HIS A 42 0.663 -0.678 6.480 1.00 0.00 O ATOM 650 CB HIS A 42 1.548 -2.299 8.849 1.00 0.00 C ATOM 651 CG HIS A 42 0.285 -3.126 9.030 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.264 -4.317 9.719 1.00 0.00 N ATOM 653 CD2 HIS A 42 -1.001 -2.904 8.650 1.00 0.00 C ATOM 654 CE1 HIS A 42 -0.964 -4.786 9.747 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.753 -3.950 9.110 1.00 0.00 N ATOM 0 H HIS A 42 3.279 -0.616 8.026 1.00 0.00 H new ATOM 0 HA HIS A 42 2.473 -3.316 7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.300 -2.664 9.549 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.326 -1.269 9.128 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.076 -4.767 10.143 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.363 -2.056 8.087 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.274 -5.708 10.217 1.00 0.00 H new ATOM 664 N PHE A 43 0.767 -2.673 5.443 1.00 0.00 N ATOM 665 CA PHE A 43 -0.242 -2.377 4.415 1.00 0.00 C ATOM 666 C PHE A 43 -1.560 -3.082 4.791 1.00 0.00 C ATOM 667 O PHE A 43 -1.538 -4.254 5.171 1.00 0.00 O ATOM 668 CB PHE A 43 0.278 -2.859 3.038 1.00 0.00 C ATOM 669 CG PHE A 43 1.672 -2.320 2.694 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.834 -1.062 2.122 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.820 -3.069 2.961 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.094 -0.571 1.828 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.074 -2.578 2.664 1.00 0.00 C ATOM 674 CZ PHE A 43 4.212 -1.331 2.096 1.00 0.00 C ATOM 0 H PHE A 43 1.167 -3.608 5.360 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.426 -1.304 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.305 -3.949 3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.425 -2.551 2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.964 -0.460 1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.724 -4.048 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.201 0.409 1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.950 -3.173 2.877 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.195 -0.949 1.861 1.00 0.00 H new ATOM 684 N ASP A 44 -2.688 -2.353 4.714 1.00 0.00 N ATOM 685 CA ASP A 44 -4.024 -2.854 5.098 1.00 0.00 C ATOM 686 C ASP A 44 -5.054 -2.493 4.006 1.00 0.00 C ATOM 687 O ASP A 44 -5.328 -1.322 3.781 1.00 0.00 O ATOM 688 CB ASP A 44 -4.423 -2.212 6.457 1.00 0.00 C ATOM 689 CG ASP A 44 -5.784 -2.679 7.009 1.00 0.00 C ATOM 690 OD1 ASP A 44 -6.027 -3.897 7.049 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.601 -1.837 7.438 1.00 0.00 O ATOM 0 H ASP A 44 -2.700 -1.389 4.380 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.002 -3.939 5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.650 -2.438 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.445 -1.129 6.340 1.00 0.00 H new ATOM 696 N MET A 45 -5.618 -3.495 3.315 1.00 0.00 N ATOM 697 CA MET A 45 -6.595 -3.266 2.229 1.00 0.00 C ATOM 698 C MET A 45 -7.943 -3.927 2.539 1.00 0.00 C ATOM 699 O MET A 45 -7.989 -4.998 3.146 1.00 0.00 O ATOM 700 CB MET A 45 -6.051 -3.774 0.869 1.00 0.00 C ATOM 701 CG MET A 45 -4.717 -3.141 0.440 1.00 0.00 C ATOM 702 SD MET A 45 -4.260 -3.550 -1.259 1.00 0.00 S ATOM 703 CE MET A 45 -4.382 -5.335 -1.234 1.00 0.00 C ATOM 0 H MET A 45 -5.415 -4.480 3.487 1.00 0.00 H new ATOM 0 HA MET A 45 -6.751 -2.189 2.159 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.925 -4.855 0.923 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.796 -3.578 0.098 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.785 -2.058 0.542 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.928 -3.476 1.114 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.697 -5.757 -1.970 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.121 -5.704 -0.242 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.402 -5.633 -1.475 1.00 0.00 H new ATOM 713 N ASP A 46 -9.036 -3.271 2.103 1.00 0.00 N ATOM 714 CA ASP A 46 -10.411 -3.786 2.277 1.00 0.00 C ATOM 715 C ASP A 46 -11.369 -3.179 1.238 1.00 0.00 C ATOM 716 O ASP A 46 -11.095 -2.122 0.657 1.00 0.00 O ATOM 717 CB ASP A 46 -10.942 -3.518 3.719 1.00 0.00 C ATOM 718 CG ASP A 46 -11.159 -2.025 4.035 1.00 0.00 C ATOM 719 OD1 ASP A 46 -10.161 -1.273 4.116 1.00 0.00 O ATOM 720 OD2 ASP A 46 -12.323 -1.591 4.197 1.00 0.00 O ATOM 0 H ASP A 46 -8.993 -2.373 1.622 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.372 -4.864 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.884 -4.049 3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.237 -3.933 4.439 1.00 0.00 H new ATOM 725 N GLY A 47 -12.481 -3.887 1.002 1.00 0.00 N ATOM 726 CA GLY A 47 -13.570 -3.417 0.140 1.00 0.00 C ATOM 727 C GLY A 47 -14.455 -4.581 -0.285 1.00 0.00 C ATOM 728 O GLY A 47 -14.462 -5.610 0.403 1.00 0.00 O ATOM 0 H GLY A 47 -12.650 -4.808 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.166 -2.674 0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.158 -2.925 -0.741 1.00 0.00 H new ATOM 732 N GLU A 48 -15.182 -4.468 -1.423 1.00 0.00 N ATOM 733 CA GLU A 48 -15.951 -5.605 -1.980 1.00 0.00 C ATOM 734 C GLU A 48 -16.018 -5.539 -3.524 1.00 0.00 C ATOM 735 O GLU A 48 -16.518 -4.574 -4.118 1.00 0.00 O ATOM 736 CB GLU A 48 -17.374 -5.732 -1.351 1.00 0.00 C ATOM 737 CG GLU A 48 -18.360 -4.591 -1.663 1.00 0.00 C ATOM 738 CD GLU A 48 -19.753 -4.803 -1.045 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.954 -4.451 0.139 1.00 0.00 O ATOM 740 OE2 GLU A 48 -20.655 -5.320 -1.746 1.00 0.00 O ATOM 0 H GLU A 48 -15.251 -3.609 -1.968 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.409 -6.511 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.816 -6.669 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.265 -5.804 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.946 -3.652 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.461 -4.493 -2.744 1.00 0.00 H new ATOM 747 N ILE A 49 -15.396 -6.546 -4.154 1.00 0.00 N ATOM 748 CA ILE A 49 -15.415 -6.686 -5.630 1.00 0.00 C ATOM 749 C ILE A 49 -16.499 -7.687 -6.082 1.00 0.00 C ATOM 750 O ILE A 49 -16.560 -8.810 -5.577 1.00 0.00 O ATOM 751 CB ILE A 49 -14.002 -7.090 -6.188 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.943 -5.989 -5.823 1.00 0.00 C ATOM 753 CG2 ILE A 49 -14.060 -7.324 -7.719 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.541 -6.222 -6.365 1.00 0.00 C ATOM 0 H ILE A 49 -14.873 -7.277 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.666 -5.711 -6.048 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.698 -8.028 -5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.301 -5.028 -6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.885 -5.911 -4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.071 -7.602 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.766 -8.125 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.384 -6.409 -8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.890 -5.404 -6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.152 -7.163 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.574 -6.266 -7.454 1.00 0.00 H new ATOM 766 N ASP A 50 -17.313 -7.238 -7.076 1.00 0.00 N ATOM 767 CA ASP A 50 -18.572 -7.872 -7.527 1.00 0.00 C ATOM 768 C ASP A 50 -19.638 -7.826 -6.405 1.00 0.00 C ATOM 769 O ASP A 50 -20.626 -7.091 -6.485 1.00 0.00 O ATOM 770 CB ASP A 50 -18.335 -9.324 -8.060 1.00 0.00 C ATOM 771 CG ASP A 50 -19.635 -10.121 -8.325 1.00 0.00 C ATOM 772 OD1 ASP A 50 -20.291 -9.883 -9.355 1.00 0.00 O ATOM 773 OD2 ASP A 50 -19.999 -10.987 -7.492 1.00 0.00 O ATOM 0 H ASP A 50 -17.097 -6.391 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.956 -7.297 -8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.760 -9.271 -8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.728 -9.870 -7.338 1.00 0.00 H new ATOM 778 N GLY A 51 -19.384 -8.613 -5.372 1.00 0.00 N ATOM 779 CA GLY A 51 -20.224 -8.736 -4.198 1.00 0.00 C ATOM 780 C GLY A 51 -19.526 -9.660 -3.233 1.00 0.00 C ATOM 781 O GLY A 51 -20.123 -10.588 -2.681 1.00 0.00 O ATOM 0 H GLY A 51 -18.555 -9.205 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.390 -7.760 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.203 -9.132 -4.467 1.00 0.00 H new ATOM 785 N LYS A 52 -18.219 -9.381 -3.045 1.00 0.00 N ATOM 786 CA LYS A 52 -17.303 -10.236 -2.283 1.00 0.00 C ATOM 787 C LYS A 52 -16.423 -9.351 -1.391 1.00 0.00 C ATOM 788 O LYS A 52 -15.487 -8.717 -1.898 1.00 0.00 O ATOM 789 CB LYS A 52 -16.427 -11.095 -3.252 1.00 0.00 C ATOM 790 CG LYS A 52 -17.168 -12.281 -3.912 1.00 0.00 C ATOM 791 CD LYS A 52 -16.295 -13.047 -4.943 1.00 0.00 C ATOM 792 CE LYS A 52 -16.220 -12.347 -6.316 1.00 0.00 C ATOM 793 NZ LYS A 52 -17.511 -12.430 -7.047 1.00 0.00 N ATOM 0 H LYS A 52 -17.772 -8.546 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.875 -10.921 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.035 -10.447 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.570 -11.481 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -17.496 -12.974 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.065 -11.910 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.287 -13.159 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.698 -14.051 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.947 -11.301 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.433 -12.804 -6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.364 -12.167 -8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.877 -13.402 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.197 -11.779 -6.615 1.00 0.00 H new ATOM 807 N PRO A 53 -16.704 -9.300 -0.046 1.00 0.00 N ATOM 808 CA PRO A 53 -15.872 -8.540 0.907 1.00 0.00 C ATOM 809 C PRO A 53 -14.499 -9.209 1.089 1.00 0.00 C ATOM 810 O PRO A 53 -14.407 -10.442 1.191 1.00 0.00 O ATOM 811 CB PRO A 53 -16.707 -8.551 2.220 1.00 0.00 C ATOM 812 CG PRO A 53 -17.550 -9.787 2.118 1.00 0.00 C ATOM 813 CD PRO A 53 -17.868 -9.942 0.641 1.00 0.00 C ATOM 0 HA PRO A 53 -15.652 -7.526 0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.064 -8.581 3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.323 -7.656 2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.016 -10.658 2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.462 -9.690 2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -17.968 -10.991 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -18.806 -9.452 0.380 1.00 0.00 H new ATOM 821 N PHE A 54 -13.439 -8.398 1.104 1.00 0.00 N ATOM 822 CA PHE A 54 -12.066 -8.882 1.303 1.00 0.00 C ATOM 823 C PHE A 54 -11.350 -7.968 2.297 1.00 0.00 C ATOM 824 O PHE A 54 -11.520 -6.747 2.255 1.00 0.00 O ATOM 825 CB PHE A 54 -11.289 -8.972 -0.050 1.00 0.00 C ATOM 826 CG PHE A 54 -11.030 -7.643 -0.781 1.00 0.00 C ATOM 827 CD1 PHE A 54 -11.997 -7.080 -1.611 1.00 0.00 C ATOM 828 CD2 PHE A 54 -9.806 -6.974 -0.644 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.757 -5.889 -2.274 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.571 -5.784 -1.306 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.545 -5.243 -2.121 1.00 0.00 C ATOM 0 H PHE A 54 -13.505 -7.388 0.979 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.102 -9.892 1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.328 -9.450 0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.845 -9.628 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.946 -7.579 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.037 -7.394 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.518 -5.464 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.625 -5.277 -1.186 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.360 -4.314 -2.640 1.00 0.00 H new ATOM 841 N SER A 55 -10.591 -8.576 3.208 1.00 0.00 N ATOM 842 CA SER A 55 -9.740 -7.871 4.160 1.00 0.00 C ATOM 843 C SER A 55 -8.374 -8.563 4.178 1.00 0.00 C ATOM 844 O SER A 55 -8.277 -9.753 4.499 1.00 0.00 O ATOM 845 CB SER A 55 -10.402 -7.864 5.559 1.00 0.00 C ATOM 846 OG SER A 55 -10.789 -9.165 5.970 1.00 0.00 O ATOM 0 H SER A 55 -10.551 -9.591 3.305 1.00 0.00 H new ATOM 0 HA SER A 55 -9.607 -6.830 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.707 -7.446 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.277 -7.214 5.543 1.00 0.00 H new ATOM 0 HG SER A 55 -10.108 -9.812 5.691 1.00 0.00 H new ATOM 852 N ASP A 56 -7.341 -7.814 3.800 1.00 0.00 N ATOM 853 CA ASP A 56 -5.973 -8.317 3.633 1.00 0.00 C ATOM 854 C ASP A 56 -4.992 -7.366 4.331 1.00 0.00 C ATOM 855 O ASP A 56 -5.169 -6.152 4.282 1.00 0.00 O ATOM 856 CB ASP A 56 -5.658 -8.434 2.115 1.00 0.00 C ATOM 857 CG ASP A 56 -4.222 -8.896 1.806 1.00 0.00 C ATOM 858 OD1 ASP A 56 -3.854 -10.025 2.206 1.00 0.00 O ATOM 859 OD2 ASP A 56 -3.466 -8.150 1.148 1.00 0.00 O ATOM 0 H ASP A 56 -7.430 -6.819 3.596 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.872 -9.303 4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.359 -9.135 1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.826 -7.466 1.644 1.00 0.00 H new ATOM 864 N SER A 57 -3.982 -7.926 5.001 1.00 0.00 N ATOM 865 CA SER A 57 -2.921 -7.152 5.659 1.00 0.00 C ATOM 866 C SER A 57 -1.576 -7.865 5.452 1.00 0.00 C ATOM 867 O SER A 57 -1.429 -9.039 5.810 1.00 0.00 O ATOM 868 CB SER A 57 -3.244 -6.963 7.166 1.00 0.00 C ATOM 869 OG SER A 57 -3.423 -8.209 7.823 1.00 0.00 O ATOM 0 H SER A 57 -3.875 -8.935 5.104 1.00 0.00 H new ATOM 0 HA SER A 57 -2.858 -6.158 5.216 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.435 -6.411 7.645 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.147 -6.362 7.272 1.00 0.00 H new ATOM 0 HG SER A 57 -2.901 -8.899 7.363 1.00 0.00 H new ATOM 875 N PHE A 58 -0.602 -7.141 4.882 1.00 0.00 N ATOM 876 CA PHE A 58 0.739 -7.665 4.583 1.00 0.00 C ATOM 877 C PHE A 58 1.779 -6.618 4.989 1.00 0.00 C ATOM 878 O PHE A 58 1.549 -5.422 4.839 1.00 0.00 O ATOM 879 CB PHE A 58 0.875 -8.078 3.088 1.00 0.00 C ATOM 880 CG PHE A 58 0.652 -6.971 2.033 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.631 -6.639 1.600 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.733 -6.305 1.441 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.830 -5.677 0.622 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.531 -5.352 0.458 1.00 0.00 C ATOM 885 CZ PHE A 58 0.253 -5.037 0.050 1.00 0.00 C ATOM 0 H PHE A 58 -0.724 -6.165 4.613 1.00 0.00 H new ATOM 0 HA PHE A 58 0.909 -8.574 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.873 -8.492 2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.165 -8.881 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.484 -7.140 2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.739 -6.539 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.832 -5.427 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.378 -4.854 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.098 -4.291 -0.716 1.00 0.00 H new ATOM 895 N GLU A 59 2.911 -7.081 5.532 1.00 0.00 N ATOM 896 CA GLU A 59 3.960 -6.210 6.085 1.00 0.00 C ATOM 897 C GLU A 59 5.280 -6.464 5.357 1.00 0.00 C ATOM 898 O GLU A 59 5.709 -7.615 5.209 1.00 0.00 O ATOM 899 CB GLU A 59 4.114 -6.459 7.607 1.00 0.00 C ATOM 900 CG GLU A 59 2.839 -6.158 8.424 1.00 0.00 C ATOM 901 CD GLU A 59 2.948 -6.557 9.909 1.00 0.00 C ATOM 902 OE1 GLU A 59 3.135 -7.760 10.187 1.00 0.00 O ATOM 903 OE2 GLU A 59 2.805 -5.684 10.802 1.00 0.00 O ATOM 0 H GLU A 59 3.128 -8.075 5.601 1.00 0.00 H new ATOM 0 HA GLU A 59 3.677 -5.168 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.399 -7.499 7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.930 -5.843 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.619 -5.093 8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.997 -6.686 7.976 1.00 0.00 H new ATOM 910 N LEU A 60 5.916 -5.376 4.917 1.00 0.00 N ATOM 911 CA LEU A 60 7.179 -5.414 4.173 1.00 0.00 C ATOM 912 C LEU A 60 8.175 -4.466 4.860 1.00 0.00 C ATOM 913 O LEU A 60 7.810 -3.313 5.137 1.00 0.00 O ATOM 914 CB LEU A 60 6.946 -4.975 2.694 1.00 0.00 C ATOM 915 CG LEU A 60 6.013 -5.888 1.825 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.682 -5.235 0.460 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.643 -7.282 1.618 1.00 0.00 C ATOM 0 H LEU A 60 5.564 -4.431 5.069 1.00 0.00 H new ATOM 0 HA LEU A 60 7.577 -6.429 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.527 -3.969 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.916 -4.913 2.201 1.00 0.00 H new ATOM 0 HG LEU A 60 5.078 -6.007 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.034 -5.898 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.174 -4.285 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.605 -5.062 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.977 -7.896 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.601 -7.176 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.797 -7.759 2.586 1.00 0.00 H new ATOM 929 N PRO A 61 9.440 -4.925 5.157 1.00 0.00 N ATOM 930 CA PRO A 61 10.527 -4.031 5.642 1.00 0.00 C ATOM 931 C PRO A 61 10.819 -2.904 4.625 1.00 0.00 C ATOM 932 O PRO A 61 10.479 -3.042 3.457 1.00 0.00 O ATOM 933 CB PRO A 61 11.730 -5.000 5.822 1.00 0.00 C ATOM 934 CG PRO A 61 11.411 -6.166 4.943 1.00 0.00 C ATOM 935 CD PRO A 61 9.915 -6.333 5.047 1.00 0.00 C ATOM 0 HA PRO A 61 10.280 -3.505 6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.667 -4.527 5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.840 -5.306 6.862 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.717 -5.980 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.933 -7.064 5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.501 -6.834 4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.632 -6.926 5.917 1.00 0.00 H new ATOM 943 N ARG A 62 11.378 -1.767 5.105 1.00 0.00 N ATOM 944 CA ARG A 62 11.794 -0.603 4.262 1.00 0.00 C ATOM 945 C ARG A 62 12.510 -0.979 2.926 1.00 0.00 C ATOM 946 O ARG A 62 12.438 -0.226 1.951 1.00 0.00 O ATOM 947 CB ARG A 62 12.716 0.349 5.078 1.00 0.00 C ATOM 948 CG ARG A 62 14.069 -0.269 5.502 1.00 0.00 C ATOM 949 CD ARG A 62 15.070 0.774 6.033 1.00 0.00 C ATOM 950 NE ARG A 62 16.359 0.164 6.404 1.00 0.00 N ATOM 951 CZ ARG A 62 17.481 0.835 6.716 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.533 2.165 6.657 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.562 0.166 7.076 1.00 0.00 N ATOM 0 H ARG A 62 11.558 -1.624 6.099 1.00 0.00 H new ATOM 0 HA ARG A 62 10.862 -0.112 3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.910 1.242 4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.183 0.671 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.893 -1.020 6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.509 -0.785 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.236 1.537 5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.644 1.276 6.901 1.00 0.00 H new ATOM 0 HE ARG A 62 16.404 -0.855 6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.710 2.695 6.370 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.396 2.653 6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.541 -0.853 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.417 0.669 7.314 1.00 0.00 H new ATOM 967 N ASP A 63 13.158 -2.160 2.885 1.00 0.00 N ATOM 968 CA ASP A 63 13.987 -2.600 1.749 1.00 0.00 C ATOM 969 C ASP A 63 13.137 -3.283 0.655 1.00 0.00 C ATOM 970 O ASP A 63 13.603 -3.485 -0.467 1.00 0.00 O ATOM 971 CB ASP A 63 15.080 -3.564 2.271 1.00 0.00 C ATOM 972 CG ASP A 63 15.910 -2.955 3.413 1.00 0.00 C ATOM 973 OD1 ASP A 63 16.850 -2.174 3.143 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.606 -3.240 4.594 1.00 0.00 O ATOM 0 H ASP A 63 13.120 -2.839 3.645 1.00 0.00 H new ATOM 0 HA ASP A 63 14.451 -1.726 1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.611 -4.485 2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.743 -3.835 1.449 1.00 0.00 H new ATOM 979 N THR A 64 11.881 -3.629 0.998 1.00 0.00 N ATOM 980 CA THR A 64 10.921 -4.310 0.092 1.00 0.00 C ATOM 981 C THR A 64 9.533 -3.617 0.121 1.00 0.00 C ATOM 982 O THR A 64 8.619 -4.045 -0.585 1.00 0.00 O ATOM 983 CB THR A 64 10.752 -5.813 0.475 1.00 0.00 C ATOM 984 OG1 THR A 64 10.373 -5.916 1.851 1.00 0.00 O ATOM 985 CG2 THR A 64 12.031 -6.634 0.227 1.00 0.00 C ATOM 0 H THR A 64 11.495 -3.443 1.923 1.00 0.00 H new ATOM 0 HA THR A 64 11.332 -4.243 -0.915 1.00 0.00 H new ATOM 0 HB THR A 64 9.974 -6.227 -0.166 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.265 -6.860 2.091 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.858 -7.672 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.295 -6.586 -0.829 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.847 -6.226 0.824 1.00 0.00 H new ATOM 993 N ALA A 65 9.389 -2.571 0.969 1.00 0.00 N ATOM 994 CA ALA A 65 8.140 -1.774 1.123 1.00 0.00 C ATOM 995 C ALA A 65 7.692 -1.142 -0.207 1.00 0.00 C ATOM 996 O ALA A 65 6.504 -1.085 -0.511 1.00 0.00 O ATOM 997 CB ALA A 65 8.342 -0.697 2.205 1.00 0.00 C ATOM 0 H ALA A 65 10.144 -2.250 1.575 1.00 0.00 H new ATOM 0 HA ALA A 65 7.343 -2.449 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.427 -0.116 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.584 -1.176 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.158 -0.036 1.913 1.00 0.00 H new ATOM 1003 N PHE A 66 8.686 -0.720 -0.995 1.00 0.00 N ATOM 1004 CA PHE A 66 8.493 -0.107 -2.325 1.00 0.00 C ATOM 1005 C PHE A 66 7.992 -1.121 -3.386 1.00 0.00 C ATOM 1006 O PHE A 66 7.580 -0.719 -4.479 1.00 0.00 O ATOM 1007 CB PHE A 66 9.824 0.535 -2.793 1.00 0.00 C ATOM 1008 CG PHE A 66 10.387 1.558 -1.806 1.00 0.00 C ATOM 1009 CD1 PHE A 66 9.780 2.803 -1.652 1.00 0.00 C ATOM 1010 CD2 PHE A 66 11.508 1.268 -1.026 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.280 3.725 -0.755 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.003 2.192 -0.129 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.389 3.420 0.008 1.00 0.00 C ATOM 0 H PHE A 66 9.667 -0.794 -0.727 1.00 0.00 H new ATOM 0 HA PHE A 66 7.719 0.654 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.562 -0.251 -2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.665 1.020 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.909 3.049 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 66 11.994 0.309 -1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.802 4.688 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.872 1.954 0.467 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.776 4.142 0.712 1.00 0.00 H new ATOM 1023 N ASN A 67 7.986 -2.421 -3.040 1.00 0.00 N ATOM 1024 CA ASN A 67 7.576 -3.505 -3.960 1.00 0.00 C ATOM 1025 C ASN A 67 6.073 -3.802 -3.808 1.00 0.00 C ATOM 1026 O ASN A 67 5.525 -4.608 -4.570 1.00 0.00 O ATOM 1027 CB ASN A 67 8.401 -4.791 -3.672 1.00 0.00 C ATOM 1028 CG ASN A 67 9.910 -4.635 -3.887 1.00 0.00 C ATOM 1029 OD1 ASN A 67 10.363 -3.831 -4.699 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.697 -5.415 -3.165 1.00 0.00 N ATOM 0 H ASN A 67 8.264 -2.753 -2.116 1.00 0.00 H new ATOM 0 HA ASN A 67 7.766 -3.180 -4.983 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.223 -5.099 -2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.036 -5.594 -4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.710 -5.359 -3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.291 -6.073 -2.499 1.00 0.00 H new ATOM 1037 N PHE A 68 5.435 -3.170 -2.790 1.00 0.00 N ATOM 1038 CA PHE A 68 4.008 -3.377 -2.465 1.00 0.00 C ATOM 1039 C PHE A 68 3.083 -3.146 -3.672 1.00 0.00 C ATOM 1040 O PHE A 68 2.079 -3.821 -3.793 1.00 0.00 O ATOM 1041 CB PHE A 68 3.559 -2.479 -1.277 1.00 0.00 C ATOM 1042 CG PHE A 68 3.139 -1.040 -1.642 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.074 -0.104 -2.083 1.00 0.00 C ATOM 1044 CD2 PHE A 68 1.802 -0.639 -1.545 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.691 1.175 -2.415 1.00 0.00 C ATOM 1046 CE2 PHE A 68 1.423 0.644 -1.875 1.00 0.00 C ATOM 1047 CZ PHE A 68 2.367 1.549 -2.309 1.00 0.00 C ATOM 0 H PHE A 68 5.899 -2.503 -2.174 1.00 0.00 H new ATOM 0 HA PHE A 68 3.917 -4.424 -2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.722 -2.965 -0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.376 -2.427 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.113 -0.387 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.057 -1.344 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.427 1.887 -2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.388 0.940 -1.794 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.070 2.555 -2.567 1.00 0.00 H new ATOM 1057 N ALA A 69 3.422 -2.165 -4.542 1.00 0.00 N ATOM 1058 CA ALA A 69 2.639 -1.848 -5.756 1.00 0.00 C ATOM 1059 C ALA A 69 2.398 -3.079 -6.650 1.00 0.00 C ATOM 1060 O ALA A 69 1.432 -3.100 -7.413 1.00 0.00 O ATOM 1061 CB ALA A 69 3.299 -0.710 -6.543 1.00 0.00 C ATOM 0 H ALA A 69 4.244 -1.574 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 69 1.656 -1.516 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.708 -0.492 -7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.355 0.181 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.304 -1.008 -6.840 1.00 0.00 H new ATOM 1067 N SER A 70 3.300 -4.073 -6.578 1.00 0.00 N ATOM 1068 CA SER A 70 3.100 -5.363 -7.239 1.00 0.00 C ATOM 1069 C SER A 70 2.016 -6.180 -6.496 1.00 0.00 C ATOM 1070 O SER A 70 1.035 -6.612 -7.108 1.00 0.00 O ATOM 1071 CB SER A 70 4.441 -6.143 -7.292 1.00 0.00 C ATOM 1072 OG SER A 70 5.464 -5.381 -7.936 1.00 0.00 O ATOM 0 H SER A 70 4.178 -4.001 -6.064 1.00 0.00 H new ATOM 0 HA SER A 70 2.759 -5.194 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.757 -6.396 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.296 -7.083 -7.825 1.00 0.00 H new ATOM 0 HG SER A 70 6.296 -5.898 -7.952 1.00 0.00 H new ATOM 1078 N ASP A 71 2.190 -6.344 -5.159 1.00 0.00 N ATOM 1079 CA ASP A 71 1.316 -7.199 -4.319 1.00 0.00 C ATOM 1080 C ASP A 71 -0.082 -6.573 -4.075 1.00 0.00 C ATOM 1081 O ASP A 71 -1.081 -7.230 -4.305 1.00 0.00 O ATOM 1082 CB ASP A 71 2.005 -7.537 -2.968 1.00 0.00 C ATOM 1083 CG ASP A 71 1.277 -8.631 -2.148 1.00 0.00 C ATOM 1084 OD1 ASP A 71 0.584 -9.493 -2.742 1.00 0.00 O ATOM 1085 OD2 ASP A 71 1.430 -8.665 -0.915 1.00 0.00 O ATOM 0 H ASP A 71 2.938 -5.888 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 71 1.157 -8.122 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.026 -7.863 -3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.070 -6.630 -2.368 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.128 -5.329 -3.563 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.380 -4.520 -3.423 1.00 0.00 C ATOM 1092 C ALA A 72 -2.279 -4.564 -4.693 1.00 0.00 C ATOM 1093 O ALA A 72 -3.510 -4.624 -4.595 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.030 -3.062 -3.058 1.00 0.00 C ATOM 0 H ALA A 72 0.703 -4.842 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.961 -4.970 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.947 -2.482 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.485 -3.044 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.410 -2.629 -3.843 1.00 0.00 H new ATOM 1100 N THR A 73 -1.633 -4.547 -5.873 1.00 0.00 N ATOM 1101 CA THR A 73 -2.331 -4.683 -7.168 1.00 0.00 C ATOM 1102 C THR A 73 -2.712 -6.162 -7.425 1.00 0.00 C ATOM 1103 O THR A 73 -3.797 -6.442 -7.940 1.00 0.00 O ATOM 1104 CB THR A 73 -1.466 -4.127 -8.348 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.210 -2.723 -8.127 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.137 -4.307 -9.726 1.00 0.00 C ATOM 0 H THR A 73 -0.622 -4.440 -5.958 1.00 0.00 H new ATOM 0 HA THR A 73 -3.243 -4.089 -7.117 1.00 0.00 H new ATOM 0 HB THR A 73 -0.539 -4.700 -8.364 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.279 -2.600 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.488 -3.902 -10.502 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.307 -5.367 -9.912 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.091 -3.779 -9.738 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.817 -7.092 -7.027 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.990 -8.548 -7.234 1.00 0.00 C ATOM 1116 C ARG A 74 -3.227 -9.080 -6.483 1.00 0.00 C ATOM 1117 O ARG A 74 -4.053 -9.773 -7.068 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.707 -9.312 -6.796 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.766 -10.843 -6.974 1.00 0.00 C ATOM 1120 CD ARG A 74 0.567 -11.540 -6.651 1.00 0.00 C ATOM 1121 NE ARG A 74 0.992 -11.344 -5.251 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.003 -11.998 -4.657 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.759 -12.853 -5.330 1.00 0.00 N ATOM 1124 NH2 ARG A 74 2.275 -11.776 -3.391 1.00 0.00 N ATOM 0 H ARG A 74 -0.948 -6.853 -6.550 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.153 -8.720 -8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.139 -8.928 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.511 -9.091 -5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.546 -11.248 -6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.050 -11.073 -8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.471 -12.607 -6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.341 -11.160 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 74 0.479 -10.661 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.578 -13.025 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.522 -13.339 -4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.718 -11.107 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.043 -12.273 -2.940 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.353 -8.708 -5.201 1.00 0.00 N ATOM 1139 CA VAL A 75 -4.491 -9.083 -4.339 1.00 0.00 C ATOM 1140 C VAL A 75 -5.808 -8.526 -4.920 1.00 0.00 C ATOM 1141 O VAL A 75 -6.837 -9.213 -4.936 1.00 0.00 O ATOM 1142 CB VAL A 75 -4.298 -8.550 -2.866 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -5.428 -9.027 -1.915 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -2.914 -8.932 -2.295 1.00 0.00 C ATOM 0 H VAL A 75 -2.660 -8.131 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.537 -10.172 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.353 -7.463 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.251 -8.635 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.389 -8.666 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.439 -10.116 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.820 -8.547 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.813 -10.017 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.131 -8.502 -2.920 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.731 -7.288 -5.444 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.875 -6.571 -6.019 1.00 0.00 C ATOM 1156 C ALA A 76 -7.371 -7.264 -7.302 1.00 0.00 C ATOM 1157 O ALA A 76 -8.579 -7.482 -7.474 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.472 -5.113 -6.309 1.00 0.00 C ATOM 0 H ALA A 76 -4.862 -6.756 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.695 -6.580 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.321 -4.579 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.168 -4.628 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.642 -5.099 -7.015 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.418 -7.653 -8.174 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.732 -8.232 -9.492 1.00 0.00 C ATOM 1166 C GLN A 77 -7.181 -9.695 -9.359 1.00 0.00 C ATOM 1167 O GLN A 77 -7.916 -10.194 -10.217 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.550 -8.037 -10.507 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.213 -8.741 -10.180 1.00 0.00 C ATOM 1170 CD GLN A 77 -4.163 -10.243 -10.497 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -4.798 -10.718 -11.439 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -3.415 -11.002 -9.708 1.00 0.00 N ATOM 0 H GLN A 77 -5.419 -7.575 -7.985 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.577 -7.686 -9.912 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.884 -8.384 -11.485 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.356 -6.968 -10.597 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.416 -8.244 -10.733 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.000 -8.604 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.900 -10.581 -8.935 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.355 -12.007 -9.874 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.717 -10.378 -8.291 1.00 0.00 N ATOM 1182 CA LYS A 78 -7.192 -11.723 -7.921 1.00 0.00 C ATOM 1183 C LYS A 78 -8.706 -11.741 -7.634 1.00 0.00 C ATOM 1184 O LYS A 78 -9.415 -12.643 -8.108 1.00 0.00 O ATOM 1185 CB LYS A 78 -6.420 -12.254 -6.685 1.00 0.00 C ATOM 1186 CG LYS A 78 -4.984 -12.752 -6.967 1.00 0.00 C ATOM 1187 CD LYS A 78 -4.269 -13.207 -5.675 1.00 0.00 C ATOM 1188 CE LYS A 78 -2.897 -13.847 -5.932 1.00 0.00 C ATOM 1189 NZ LYS A 78 -2.260 -14.305 -4.669 1.00 0.00 N ATOM 0 H LYS A 78 -6.003 -10.010 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.003 -12.374 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.372 -11.461 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.991 -13.072 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.019 -13.581 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.409 -11.955 -7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.143 -12.348 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.903 -13.922 -5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.011 -14.693 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.246 -13.127 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.336 -14.732 -4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.129 -13.493 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.870 -15.011 -4.209 1.00 0.00 H new ATOM 1203 N HIS A 79 -9.198 -10.753 -6.850 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.636 -10.693 -6.498 1.00 0.00 C ATOM 1205 C HIS A 79 -11.456 -10.223 -7.702 1.00 0.00 C ATOM 1206 O HIS A 79 -12.623 -10.599 -7.845 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.874 -9.752 -5.298 1.00 0.00 C ATOM 1208 CG HIS A 79 -10.258 -10.233 -4.015 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -9.134 -9.667 -3.457 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -10.615 -11.245 -3.186 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -8.824 -10.308 -2.352 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -9.708 -11.264 -2.164 1.00 0.00 N ATOM 0 H HIS A 79 -8.633 -10.001 -6.456 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.957 -11.696 -6.216 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.472 -8.767 -5.536 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.947 -9.631 -5.151 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.621 -8.873 -3.841 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.457 -11.910 -3.310 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.986 -10.087 -1.708 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.840 -9.390 -8.557 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.291 -9.218 -9.931 1.00 0.00 C ATOM 1223 C GLY A 80 -11.102 -7.778 -10.375 1.00 0.00 C ATOM 1224 O GLY A 80 -12.038 -6.981 -10.331 1.00 0.00 O ATOM 0 H GLY A 80 -10.026 -8.827 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.733 -9.884 -10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.342 -9.495 -10.013 1.00 0.00 H new ATOM 1228 N LEU A 81 -9.866 -7.429 -10.758 1.00 0.00 N ATOM 1229 CA LEU A 81 -9.526 -6.078 -11.249 1.00 0.00 C ATOM 1230 C LEU A 81 -8.561 -6.173 -12.442 1.00 0.00 C ATOM 1231 O LEU A 81 -7.808 -7.143 -12.583 1.00 0.00 O ATOM 1232 CB LEU A 81 -8.905 -5.190 -10.125 1.00 0.00 C ATOM 1233 CG LEU A 81 -8.670 -3.687 -10.509 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -10.011 -2.982 -10.816 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -7.849 -2.925 -9.444 1.00 0.00 C ATOM 0 H LEU A 81 -9.073 -8.070 -10.738 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.453 -5.603 -11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.558 -5.227 -9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.951 -5.625 -9.827 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.069 -3.676 -11.418 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.823 -1.941 -11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.504 -3.484 -11.649 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.653 -3.023 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.716 -1.890 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.378 -2.949 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.874 -3.398 -9.329 1.00 0.00 H new ATOM 1466 N TYR A 95 2.686 5.928 -9.391 1.00 0.00 N ATOM 1467 CA TYR A 95 3.608 5.154 -8.552 1.00 0.00 C ATOM 1468 C TYR A 95 4.840 5.972 -8.176 1.00 0.00 C ATOM 1469 O TYR A 95 5.257 5.928 -7.037 1.00 0.00 O ATOM 1470 CB TYR A 95 4.044 3.845 -9.263 1.00 0.00 C ATOM 1471 CG TYR A 95 5.182 3.073 -8.549 1.00 0.00 C ATOM 1472 CD1 TYR A 95 4.942 2.340 -7.387 1.00 0.00 C ATOM 1473 CD2 TYR A 95 6.500 3.112 -9.026 1.00 0.00 C ATOM 1474 CE1 TYR A 95 5.964 1.672 -6.736 1.00 0.00 C ATOM 1475 CE2 TYR A 95 7.519 2.447 -8.373 1.00 0.00 C ATOM 1476 CZ TYR A 95 7.245 1.728 -7.231 1.00 0.00 C ATOM 1477 OH TYR A 95 8.254 1.058 -6.587 1.00 0.00 O ATOM 0 HA TYR A 95 3.072 4.897 -7.638 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.178 3.189 -9.352 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.366 4.087 -10.276 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.940 2.293 -6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.723 3.673 -9.922 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.755 1.107 -5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.528 2.491 -8.757 1.00 0.00 H new ATOM 0 HH TYR A 95 7.873 0.486 -5.888 1.00 0.00 H new ATOM 1487 N ASP A 96 5.463 6.627 -9.168 1.00 0.00 N ATOM 1488 CA ASP A 96 6.654 7.482 -8.949 1.00 0.00 C ATOM 1489 C ASP A 96 6.385 8.594 -7.898 1.00 0.00 C ATOM 1490 O ASP A 96 7.260 8.922 -7.094 1.00 0.00 O ATOM 1491 CB ASP A 96 7.117 8.068 -10.305 1.00 0.00 C ATOM 1492 CG ASP A 96 8.379 8.946 -10.207 1.00 0.00 C ATOM 1493 OD1 ASP A 96 9.504 8.392 -10.132 1.00 0.00 O ATOM 1494 OD2 ASP A 96 8.255 10.189 -10.199 1.00 0.00 O ATOM 0 H ASP A 96 5.162 6.583 -10.142 1.00 0.00 H new ATOM 0 HA ASP A 96 7.456 6.869 -8.538 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.309 7.248 -10.997 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.306 8.660 -10.730 1.00 0.00 H new ATOM 1499 N ALA A 97 5.151 9.131 -7.896 1.00 0.00 N ATOM 1500 CA ALA A 97 4.695 10.108 -6.881 1.00 0.00 C ATOM 1501 C ALA A 97 4.529 9.431 -5.501 1.00 0.00 C ATOM 1502 O ALA A 97 4.925 9.971 -4.466 1.00 0.00 O ATOM 1503 CB ALA A 97 3.374 10.752 -7.333 1.00 0.00 C ATOM 0 H ALA A 97 4.442 8.903 -8.593 1.00 0.00 H new ATOM 0 HA ALA A 97 5.451 10.887 -6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.044 11.470 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.525 11.264 -8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.615 9.979 -7.455 1.00 0.00 H new ATOM 1509 N MET A 98 3.907 8.249 -5.520 1.00 0.00 N ATOM 1510 CA MET A 98 3.752 7.371 -4.337 1.00 0.00 C ATOM 1511 C MET A 98 5.112 6.924 -3.739 1.00 0.00 C ATOM 1512 O MET A 98 5.254 6.821 -2.522 1.00 0.00 O ATOM 1513 CB MET A 98 2.873 6.155 -4.747 1.00 0.00 C ATOM 1514 CG MET A 98 2.591 5.112 -3.653 1.00 0.00 C ATOM 1515 SD MET A 98 1.198 4.032 -4.071 1.00 0.00 S ATOM 1516 CE MET A 98 1.735 3.281 -5.611 1.00 0.00 C ATOM 0 H MET A 98 3.488 7.862 -6.365 1.00 0.00 H new ATOM 0 HA MET A 98 3.263 7.932 -3.541 1.00 0.00 H new ATOM 0 HB2 MET A 98 1.918 6.532 -5.113 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.358 5.650 -5.583 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.483 4.505 -3.495 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.382 5.623 -2.713 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.532 2.210 -5.584 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.195 3.732 -6.443 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.805 3.444 -5.742 1.00 0.00 H new ATOM 1526 N PHE A 99 6.103 6.726 -4.616 1.00 0.00 N ATOM 1527 CA PHE A 99 7.435 6.212 -4.256 1.00 0.00 C ATOM 1528 C PHE A 99 8.198 7.266 -3.441 1.00 0.00 C ATOM 1529 O PHE A 99 8.681 6.975 -2.342 1.00 0.00 O ATOM 1530 CB PHE A 99 8.224 5.827 -5.540 1.00 0.00 C ATOM 1531 CG PHE A 99 9.576 5.129 -5.297 1.00 0.00 C ATOM 1532 CD1 PHE A 99 10.744 5.861 -5.047 1.00 0.00 C ATOM 1533 CD2 PHE A 99 9.676 3.737 -5.325 1.00 0.00 C ATOM 1534 CE1 PHE A 99 11.953 5.224 -4.834 1.00 0.00 C ATOM 1535 CE2 PHE A 99 10.886 3.106 -5.114 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.023 3.847 -4.867 1.00 0.00 C ATOM 0 H PHE A 99 6.003 6.921 -5.612 1.00 0.00 H new ATOM 0 HA PHE A 99 7.322 5.317 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.600 5.172 -6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.400 6.731 -6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.700 6.940 -5.020 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.793 3.144 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 99 12.843 5.805 -4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.942 2.028 -5.142 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.967 3.349 -4.700 1.00 0.00 H new ATOM 1546 N GLU A 100 8.297 8.486 -4.008 1.00 0.00 N ATOM 1547 CA GLU A 100 8.985 9.626 -3.367 1.00 0.00 C ATOM 1548 C GLU A 100 8.335 10.041 -2.027 1.00 0.00 C ATOM 1549 O GLU A 100 9.015 10.577 -1.144 1.00 0.00 O ATOM 1550 CB GLU A 100 9.061 10.835 -4.318 1.00 0.00 C ATOM 1551 CG GLU A 100 7.686 11.393 -4.737 1.00 0.00 C ATOM 1552 CD GLU A 100 7.766 12.690 -5.547 1.00 0.00 C ATOM 1553 OE1 GLU A 100 8.058 13.743 -4.951 1.00 0.00 O ATOM 1554 OE2 GLU A 100 7.532 12.668 -6.774 1.00 0.00 O ATOM 0 H GLU A 100 7.903 8.709 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 100 9.996 9.285 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.631 11.628 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.612 10.546 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.163 10.640 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.088 11.570 -3.843 1.00 0.00 H new ATOM 1561 N ASP A 101 7.023 9.805 -1.903 1.00 0.00 N ATOM 1562 CA ASP A 101 6.280 10.057 -0.661 1.00 0.00 C ATOM 1563 C ASP A 101 6.741 9.077 0.437 1.00 0.00 C ATOM 1564 O ASP A 101 7.153 9.489 1.530 1.00 0.00 O ATOM 1565 CB ASP A 101 4.759 9.912 -0.924 1.00 0.00 C ATOM 1566 CG ASP A 101 3.904 10.143 0.336 1.00 0.00 C ATOM 1567 OD1 ASP A 101 3.665 11.314 0.689 1.00 0.00 O ATOM 1568 OD2 ASP A 101 3.501 9.161 0.997 1.00 0.00 O ATOM 0 H ASP A 101 6.447 9.435 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 101 6.479 11.073 -0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.460 10.623 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.557 8.915 -1.315 1.00 0.00 H new ATOM 1573 N ILE A 102 6.668 7.780 0.108 1.00 0.00 N ATOM 1574 CA ILE A 102 7.017 6.678 1.024 1.00 0.00 C ATOM 1575 C ILE A 102 8.505 6.711 1.453 1.00 0.00 C ATOM 1576 O ILE A 102 8.791 6.522 2.634 1.00 0.00 O ATOM 1577 CB ILE A 102 6.614 5.285 0.391 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.057 5.214 0.222 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.132 4.076 1.217 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.534 3.943 -0.426 1.00 0.00 C ATOM 0 H ILE A 102 6.362 7.460 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 102 6.440 6.816 1.939 1.00 0.00 H new ATOM 0 HB ILE A 102 7.094 5.218 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.596 5.318 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.733 6.067 -0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.825 3.148 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.220 4.113 1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.715 4.117 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.447 3.992 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.959 3.842 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.820 3.082 0.179 1.00 0.00 H new ATOM 1592 N ARG A 103 9.447 6.990 0.517 1.00 0.00 N ATOM 1593 CA ARG A 103 10.901 7.032 0.841 1.00 0.00 C ATOM 1594 C ARG A 103 11.207 8.154 1.857 1.00 0.00 C ATOM 1595 O ARG A 103 12.120 8.030 2.681 1.00 0.00 O ATOM 1596 CB ARG A 103 11.771 7.147 -0.461 1.00 0.00 C ATOM 1597 CG ARG A 103 11.584 8.432 -1.315 1.00 0.00 C ATOM 1598 CD ARG A 103 12.481 9.615 -0.896 1.00 0.00 C ATOM 1599 NE ARG A 103 11.992 10.897 -1.449 1.00 0.00 N ATOM 1600 CZ ARG A 103 12.726 11.997 -1.662 1.00 0.00 C ATOM 1601 NH1 ARG A 103 14.040 11.996 -1.479 1.00 0.00 N ATOM 1602 NH2 ARG A 103 12.133 13.102 -2.080 1.00 0.00 N ATOM 0 H ARG A 103 9.232 7.188 -0.460 1.00 0.00 H new ATOM 0 HA ARG A 103 11.174 6.090 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.821 7.078 -0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.555 6.285 -1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.786 8.192 -2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.541 8.744 -1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.516 9.678 0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.501 9.437 -1.238 1.00 0.00 H new ATOM 0 HE ARG A 103 11.002 10.948 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.511 11.146 -1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.579 12.845 -1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.125 13.112 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.683 13.945 -2.245 1.00 0.00 H new ATOM 1616 N ALA A 104 10.411 9.239 1.782 1.00 0.00 N ATOM 1617 CA ALA A 104 10.517 10.384 2.696 1.00 0.00 C ATOM 1618 C ALA A 104 9.978 10.015 4.092 1.00 0.00 C ATOM 1619 O ALA A 104 10.555 10.411 5.112 1.00 0.00 O ATOM 1620 CB ALA A 104 9.763 11.589 2.111 1.00 0.00 C ATOM 0 H ALA A 104 9.676 9.342 1.083 1.00 0.00 H new ATOM 0 HA ALA A 104 11.567 10.654 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.845 12.435 2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.196 11.856 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.712 11.331 1.977 1.00 0.00 H new ATOM 1626 N LYS A 105 8.843 9.278 4.113 1.00 0.00 N ATOM 1627 CA LYS A 105 8.239 8.738 5.351 1.00 0.00 C ATOM 1628 C LYS A 105 9.209 7.838 6.121 1.00 0.00 C ATOM 1629 O LYS A 105 9.352 7.983 7.335 1.00 0.00 O ATOM 1630 CB LYS A 105 6.937 7.929 5.035 1.00 0.00 C ATOM 1631 CG LYS A 105 5.704 8.339 5.878 1.00 0.00 C ATOM 1632 CD LYS A 105 5.165 9.724 5.485 1.00 0.00 C ATOM 1633 CE LYS A 105 4.876 9.799 3.984 1.00 0.00 C ATOM 1634 NZ LYS A 105 4.258 11.089 3.581 1.00 0.00 N ATOM 0 H LYS A 105 8.320 9.041 3.270 1.00 0.00 H new ATOM 0 HA LYS A 105 7.995 9.598 5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.696 8.051 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.135 6.869 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.917 7.596 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.973 8.342 6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.254 9.935 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.891 10.490 5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.805 9.658 3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.213 8.980 3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.825 10.988 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.528 11.355 4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.989 11.828 3.547 1.00 0.00 H new ATOM 1648 N LEU A 106 9.854 6.900 5.399 1.00 0.00 N ATOM 1649 CA LEU A 106 10.787 5.933 6.009 1.00 0.00 C ATOM 1650 C LEU A 106 12.035 6.657 6.552 1.00 0.00 C ATOM 1651 O LEU A 106 12.561 6.306 7.613 1.00 0.00 O ATOM 1652 CB LEU A 106 11.191 4.799 5.011 1.00 0.00 C ATOM 1653 CG LEU A 106 10.226 3.571 4.894 1.00 0.00 C ATOM 1654 CD1 LEU A 106 10.158 2.775 6.211 1.00 0.00 C ATOM 1655 CD2 LEU A 106 8.828 3.994 4.429 1.00 0.00 C ATOM 0 H LEU A 106 9.745 6.792 4.391 1.00 0.00 H new ATOM 0 HA LEU A 106 10.268 5.457 6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.295 5.242 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.175 4.429 5.300 1.00 0.00 H new ATOM 0 HG LEU A 106 10.640 2.910 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.479 1.931 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.152 2.408 6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.795 3.422 7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.186 3.116 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.404 4.698 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.898 4.470 3.451 1.00 0.00 H new ATOM 1667 N HIS A 107 12.494 7.659 5.787 1.00 0.00 N ATOM 1668 CA HIS A 107 13.540 8.617 6.209 1.00 0.00 C ATOM 1669 C HIS A 107 13.113 9.387 7.484 1.00 0.00 C ATOM 1670 O HIS A 107 13.966 9.766 8.296 1.00 0.00 O ATOM 1671 CB HIS A 107 13.809 9.594 5.030 1.00 0.00 C ATOM 1672 CG HIS A 107 14.899 10.636 5.214 1.00 0.00 C ATOM 1673 ND1 HIS A 107 15.022 11.723 4.378 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.948 10.719 6.075 1.00 0.00 C ATOM 1675 CE1 HIS A 107 16.091 12.417 4.705 1.00 0.00 C ATOM 1676 NE2 HIS A 107 16.667 11.829 5.729 1.00 0.00 N ATOM 0 H HIS A 107 12.147 7.833 4.844 1.00 0.00 H new ATOM 0 HA HIS A 107 14.454 8.077 6.458 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.058 8.999 4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.879 10.117 4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.171 10.036 6.881 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.436 13.316 4.216 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.517 12.150 6.193 1.00 0.00 H new ATOM 1685 N ALA A 108 11.780 9.616 7.614 1.00 0.00 N ATOM 1686 CA ALA A 108 11.143 10.399 8.706 1.00 0.00 C ATOM 1687 C ALA A 108 11.407 11.904 8.521 1.00 0.00 C ATOM 1688 O ALA A 108 11.142 12.713 9.414 1.00 0.00 O ATOM 1689 CB ALA A 108 11.555 9.899 10.113 1.00 0.00 C ATOM 0 H ALA A 108 11.101 9.252 6.945 1.00 0.00 H new ATOM 0 HA ALA A 108 10.067 10.239 8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.062 10.505 10.873 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.258 8.857 10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.636 9.983 10.227 1.00 0.00 H new ATOM 1727 N GLY A 111 11.711 14.903 1.577 1.00 0.00 N ATOM 1728 CA GLY A 111 12.668 15.312 0.538 1.00 0.00 C ATOM 1729 C GLY A 111 12.134 16.466 -0.307 1.00 0.00 C ATOM 1730 O GLY A 111 11.818 16.293 -1.493 1.00 0.00 O ATOM 0 HA2 GLY A 111 13.607 15.609 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 111 12.889 14.462 -0.107 1.00 0.00 H new ATOM 1734 N GLU A 112 12.040 17.646 0.331 1.00 0.00 N ATOM 1735 CA GLU A 112 11.438 18.868 -0.246 1.00 0.00 C ATOM 1736 C GLU A 112 12.317 19.470 -1.382 1.00 0.00 C ATOM 1737 O GLU A 112 13.531 19.238 -1.409 1.00 0.00 O ATOM 1738 CB GLU A 112 11.226 19.912 0.893 1.00 0.00 C ATOM 1739 CG GLU A 112 12.521 20.348 1.618 1.00 0.00 C ATOM 1740 CD GLU A 112 12.282 21.458 2.651 1.00 0.00 C ATOM 1741 OE1 GLU A 112 11.888 21.148 3.791 1.00 0.00 O ATOM 1742 OE2 GLU A 112 12.464 22.650 2.320 1.00 0.00 O ATOM 0 H GLU A 112 12.386 17.783 1.281 1.00 0.00 H new ATOM 0 HA GLU A 112 10.480 18.604 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.746 20.796 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.538 19.494 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.961 19.484 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.245 20.694 0.881 1.00 0.00 H new ATOM 1749 N PRO A 113 11.717 20.241 -2.351 1.00 0.00 N ATOM 1750 CA PRO A 113 12.493 20.959 -3.398 1.00 0.00 C ATOM 1751 C PRO A 113 13.286 22.151 -2.814 1.00 0.00 C ATOM 1752 O PRO A 113 12.858 22.781 -1.835 1.00 0.00 O ATOM 1753 CB PRO A 113 11.398 21.420 -4.402 1.00 0.00 C ATOM 1754 CG PRO A 113 10.162 21.548 -3.568 1.00 0.00 C ATOM 1755 CD PRO A 113 10.250 20.440 -2.537 1.00 0.00 C ATOM 0 HA PRO A 113 13.255 20.334 -3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 113 11.662 22.368 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 113 11.263 20.695 -5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.112 22.526 -3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.265 21.445 -4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.763 20.723 -1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 113 9.764 19.529 -2.887 1.00 0.00 H new ATOM 1763 N VAL A 114 14.448 22.437 -3.415 1.00 0.00 N ATOM 1764 CA VAL A 114 15.335 23.540 -3.000 1.00 0.00 C ATOM 1765 C VAL A 114 15.867 24.265 -4.248 1.00 0.00 C ATOM 1766 O VAL A 114 15.968 23.663 -5.322 1.00 0.00 O ATOM 1767 CB VAL A 114 16.508 23.009 -2.075 1.00 0.00 C ATOM 1768 CG1 VAL A 114 17.397 21.967 -2.802 1.00 0.00 C ATOM 1769 CG2 VAL A 114 17.363 24.167 -1.486 1.00 0.00 C ATOM 0 H VAL A 114 14.805 21.907 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 114 14.768 24.255 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 114 16.031 22.502 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 114 18.187 21.631 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 114 16.788 21.114 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.842 22.422 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.153 23.753 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.807 24.741 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.728 24.819 -0.886 1.00 0.00 H new ATOM 1779 N ASP A 115 16.187 25.564 -4.104 1.00 0.00 N ATOM 1780 CA ASP A 115 16.581 26.445 -5.230 1.00 0.00 C ATOM 1781 C ASP A 115 18.069 26.850 -5.143 1.00 0.00 C ATOM 1782 O ASP A 115 18.453 27.888 -5.691 1.00 0.00 O ATOM 1783 CB ASP A 115 15.681 27.722 -5.247 1.00 0.00 C ATOM 1784 CG ASP A 115 14.180 27.425 -5.401 1.00 0.00 C ATOM 1785 OD1 ASP A 115 13.719 27.211 -6.535 1.00 0.00 O ATOM 1786 OD2 ASP A 115 13.450 27.407 -4.393 1.00 0.00 O ATOM 0 H ASP A 115 16.181 26.039 -3.201 1.00 0.00 H new ATOM 0 HA ASP A 115 16.441 25.887 -6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 115 15.838 28.278 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 115 15.999 28.368 -6.065 1.00 0.00 H new ATOM 1791 N LEU A 116 18.912 26.008 -4.502 1.00 0.00 N ATOM 1792 CA LEU A 116 20.338 26.345 -4.256 1.00 0.00 C ATOM 1793 C LEU A 116 21.167 26.361 -5.558 1.00 0.00 C ATOM 1794 O LEU A 116 22.144 27.115 -5.668 1.00 0.00 O ATOM 1795 CB LEU A 116 20.959 25.415 -3.156 1.00 0.00 C ATOM 1796 CG LEU A 116 21.008 23.852 -3.404 1.00 0.00 C ATOM 1797 CD1 LEU A 116 22.183 23.417 -4.319 1.00 0.00 C ATOM 1798 CD2 LEU A 116 21.055 23.074 -2.063 1.00 0.00 C ATOM 0 H LEU A 116 18.633 25.094 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 116 20.372 27.363 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 116 21.981 25.752 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 116 20.405 25.584 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 116 20.086 23.602 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 116 22.161 22.335 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 116 22.087 23.902 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 116 23.128 23.708 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 116 21.088 22.003 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 116 21.944 23.366 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.166 23.306 -1.477 1.00 0.00 H new ATOM 1810 N GLU A 117 20.763 25.539 -6.550 1.00 0.00 N ATOM 1811 CA GLU A 117 21.458 25.433 -7.849 1.00 0.00 C ATOM 1812 C GLU A 117 20.838 26.369 -8.911 1.00 0.00 C ATOM 1813 O GLU A 117 21.340 26.457 -10.038 1.00 0.00 O ATOM 1814 CB GLU A 117 21.422 23.964 -8.349 1.00 0.00 C ATOM 1815 CG GLU A 117 20.048 23.461 -8.844 1.00 0.00 C ATOM 1816 CD GLU A 117 20.128 22.074 -9.503 1.00 0.00 C ATOM 1817 OE1 GLU A 117 20.467 22.002 -10.708 1.00 0.00 O ATOM 1818 OE2 GLU A 117 19.887 21.053 -8.821 1.00 0.00 O ATOM 0 H GLU A 117 19.947 24.932 -6.472 1.00 0.00 H new ATOM 0 HA GLU A 117 22.492 25.744 -7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 117 22.142 23.858 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 117 21.756 23.315 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 117 19.356 23.420 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 117 19.640 24.176 -9.559 1.00 0.00 H new ATOM 1825 N ARG A 118 19.765 27.083 -8.528 1.00 0.00 N ATOM 1826 CA ARG A 118 18.927 27.873 -9.465 1.00 0.00 C ATOM 1827 C ARG A 118 19.608 29.198 -9.894 1.00 0.00 C ATOM 1828 O ARG A 118 19.150 29.859 -10.835 1.00 0.00 O ATOM 1829 CB ARG A 118 17.542 28.129 -8.799 1.00 0.00 C ATOM 1830 CG ARG A 118 16.448 28.736 -9.711 1.00 0.00 C ATOM 1831 CD ARG A 118 15.106 28.909 -8.974 1.00 0.00 C ATOM 1832 NE ARG A 118 14.067 29.537 -9.808 1.00 0.00 N ATOM 1833 CZ ARG A 118 12.768 29.652 -9.470 1.00 0.00 C ATOM 1834 NH1 ARG A 118 12.299 29.111 -8.347 1.00 0.00 N ATOM 1835 NH2 ARG A 118 11.934 30.293 -10.279 1.00 0.00 N ATOM 0 H ARG A 118 19.449 27.133 -7.560 1.00 0.00 H new ATOM 0 HA ARG A 118 18.792 27.301 -10.383 1.00 0.00 H new ATOM 0 HB2 ARG A 118 17.172 27.183 -8.403 1.00 0.00 H new ATOM 0 HB3 ARG A 118 17.688 28.795 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 118 16.784 29.704 -10.083 1.00 0.00 H new ATOM 0 HG3 ARG A 118 16.303 28.093 -10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 118 14.754 27.934 -8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 118 15.263 29.515 -8.082 1.00 0.00 H new ATOM 0 HE ARG A 118 14.353 29.914 -10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 118 12.926 28.599 -7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 118 11.312 29.208 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 118 12.278 30.695 -11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 118 10.949 30.383 -10.029 1.00 0.00 H new ATOM 1849 N ILE A 119 20.734 29.555 -9.238 1.00 0.00 N ATOM 1850 CA ILE A 119 21.424 30.841 -9.457 1.00 0.00 C ATOM 1851 C ILE A 119 22.452 30.692 -10.616 1.00 0.00 C ATOM 1852 O ILE A 119 23.669 30.665 -10.401 1.00 0.00 O ATOM 1853 CB ILE A 119 22.116 31.410 -8.136 1.00 0.00 C ATOM 1854 CG1 ILE A 119 21.112 31.504 -6.929 1.00 0.00 C ATOM 1855 CG2 ILE A 119 22.753 32.809 -8.395 1.00 0.00 C ATOM 1856 CD1 ILE A 119 20.774 30.186 -6.246 1.00 0.00 C ATOM 0 H ILE A 119 21.187 28.960 -8.544 1.00 0.00 H new ATOM 0 HA ILE A 119 20.669 31.577 -9.736 1.00 0.00 H new ATOM 0 HB ILE A 119 22.899 30.701 -7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 119 21.531 32.181 -6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 119 20.186 31.955 -7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 119 23.217 33.173 -7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 119 23.509 32.726 -9.176 1.00 0.00 H new ATOM 0 HG23 ILE A 119 21.979 33.508 -8.712 1.00 0.00 H new ATOM 0 HD11 ILE A 119 20.075 30.368 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 119 20.320 29.508 -6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 119 21.685 29.737 -5.850 1.00 0.00 H new ATOM 1868 N ILE A 120 21.901 30.486 -11.838 1.00 0.00 N ATOM 1869 CA ILE A 120 22.621 30.597 -13.141 1.00 0.00 C ATOM 1870 C ILE A 120 23.928 29.731 -13.181 1.00 0.00 C ATOM 1871 O ILE A 120 24.932 30.109 -13.805 1.00 0.00 O ATOM 1872 CB ILE A 120 22.906 32.135 -13.480 1.00 0.00 C ATOM 1873 CG1 ILE A 120 21.653 33.026 -13.139 1.00 0.00 C ATOM 1874 CG2 ILE A 120 23.307 32.339 -14.971 1.00 0.00 C ATOM 1875 CD1 ILE A 120 21.843 34.524 -13.351 1.00 0.00 C ATOM 0 H ILE A 120 20.920 30.232 -11.953 1.00 0.00 H new ATOM 0 HA ILE A 120 21.974 30.188 -13.918 1.00 0.00 H new ATOM 0 HB ILE A 120 23.747 32.445 -12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 120 20.814 32.693 -13.749 1.00 0.00 H new ATOM 0 HG13 ILE A 120 21.378 32.855 -12.098 1.00 0.00 H new ATOM 0 HG21 ILE A 120 23.491 33.397 -15.157 1.00 0.00 H new ATOM 0 HG22 ILE A 120 24.212 31.770 -15.186 1.00 0.00 H new ATOM 0 HG23 ILE A 120 22.499 31.993 -15.616 1.00 0.00 H new ATOM 0 HD11 ILE A 120 20.924 35.048 -13.088 1.00 0.00 H new ATOM 0 HD12 ILE A 120 22.657 34.880 -12.720 1.00 0.00 H new ATOM 0 HD13 ILE A 120 22.084 34.716 -14.397 1.00 0.00 H new ATOM 1887 N ARG A 121 23.907 28.541 -12.530 1.00 0.00 N ATOM 1888 CA ARG A 121 25.098 27.659 -12.475 1.00 0.00 C ATOM 1889 C ARG A 121 25.321 26.970 -13.836 1.00 0.00 C ATOM 1890 O ARG A 121 24.364 26.490 -14.461 1.00 0.00 O ATOM 1891 CB ARG A 121 25.021 26.590 -11.333 1.00 0.00 C ATOM 1892 CG ARG A 121 24.074 25.380 -11.572 1.00 0.00 C ATOM 1893 CD ARG A 121 24.381 24.196 -10.628 1.00 0.00 C ATOM 1894 NE ARG A 121 23.522 23.017 -10.892 1.00 0.00 N ATOM 1895 CZ ARG A 121 23.958 21.751 -11.043 1.00 0.00 C ATOM 1896 NH1 ARG A 121 25.260 21.475 -11.086 1.00 0.00 N ATOM 1897 NH2 ARG A 121 23.083 20.774 -11.182 1.00 0.00 N ATOM 0 H ARG A 121 23.090 28.174 -12.042 1.00 0.00 H new ATOM 0 HA ARG A 121 25.948 28.302 -12.246 1.00 0.00 H new ATOM 0 HB2 ARG A 121 26.026 26.206 -11.158 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.707 27.092 -10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 121 23.041 25.697 -11.429 1.00 0.00 H new ATOM 0 HG3 ARG A 121 24.165 25.049 -12.607 1.00 0.00 H new ATOM 0 HD2 ARG A 121 25.427 23.910 -10.738 1.00 0.00 H new ATOM 0 HD3 ARG A 121 24.245 24.516 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 121 22.517 23.177 -10.965 1.00 0.00 H new ATOM 0 HH11 ARG A 121 25.944 22.227 -11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 121 25.573 20.511 -11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 121 22.084 20.979 -11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 121 23.405 19.813 -11.297 1.00 0.00 H new