USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=13 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 11 HIS : no HD1:sc= -0.669 K(o=-0.76,f=0.15) USER MOD Set 1.2: A 26 HIS : no HD1:sc= -0.0927 X(o=-0.76,f=-1.1) USER MOD Single : A 9 HIS : no HD1:sc= -0.0922 K(o=-0.092,f=-0.96) USER MOD Single : A 21 GLN : amide:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.1!) USER MOD Single : A 29 TYR OH : rot 4:sc= 0.5 USER MOD Single : A 33 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.65) USER MOD Single : A 34 ASN : amide:sc= -3.45! C(o=-3.4!,f=-2.9!) USER MOD Single : A 37 SER OG : rot -27:sc= 0.351 USER MOD Single : A 40 TYR OH : rot -156:sc= -0.571! USER MOD Single : A 42 HIS : no HE2:sc= -0.106 K(o=-0.11,f=-1.8) USER MOD Single : A 45 MET CE :methyl 176:sc= -0.744 (180deg=-0.769) USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00361) USER MOD Single : A 55 SER OG : rot 23:sc= 0.0484 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0951 USER MOD Single : A 67 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.34) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 96:sc= 1.1 USER MOD Single : A 77 GLN : amide:sc= 0.0389 K(o=0.039,f=-4.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.692 K(o=-0.69,f=0.17) USER MOD Single : A 95 TYR OH : rot 8:sc= 1.19 USER MOD Single : A 98 MET CE :methyl 158:sc=-0.00148 (180deg=-0.0131) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc=-0.00123 X(o=-0.0012,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -6.466 10.241 -3.015 1.00 0.00 N ATOM 63 CA PHE A 5 -5.176 9.908 -2.397 1.00 0.00 C ATOM 64 C PHE A 5 -4.814 10.962 -1.342 1.00 0.00 C ATOM 65 O PHE A 5 -5.174 12.136 -1.470 1.00 0.00 O ATOM 66 CB PHE A 5 -4.068 9.814 -3.480 1.00 0.00 C ATOM 67 CG PHE A 5 -2.677 9.487 -2.930 1.00 0.00 C ATOM 68 CD1 PHE A 5 -2.373 8.200 -2.488 1.00 0.00 C ATOM 69 CD2 PHE A 5 -1.693 10.471 -2.822 1.00 0.00 C ATOM 70 CE1 PHE A 5 -1.132 7.907 -1.964 1.00 0.00 C ATOM 71 CE2 PHE A 5 -0.453 10.175 -2.302 1.00 0.00 C ATOM 72 CZ PHE A 5 -0.174 8.896 -1.870 1.00 0.00 C ATOM 0 HA PHE A 5 -5.257 8.938 -1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.348 9.050 -4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.020 10.761 -4.018 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.119 7.423 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.907 11.477 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.910 6.905 -1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.301 10.945 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.797 8.667 -1.457 1.00 0.00 H new ATOM 82 N GLU A 6 -4.104 10.508 -0.309 1.00 0.00 N ATOM 83 CA GLU A 6 -3.598 11.323 0.798 1.00 0.00 C ATOM 84 C GLU A 6 -2.292 10.668 1.312 1.00 0.00 C ATOM 85 O GLU A 6 -2.078 9.471 1.071 1.00 0.00 O ATOM 86 CB GLU A 6 -4.680 11.389 1.919 1.00 0.00 C ATOM 87 CG GLU A 6 -5.118 10.007 2.440 1.00 0.00 C ATOM 88 CD GLU A 6 -6.288 10.041 3.428 1.00 0.00 C ATOM 89 OE1 GLU A 6 -7.455 10.002 2.979 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.050 10.087 4.651 1.00 0.00 O ATOM 0 H GLU A 6 -3.855 9.523 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.385 12.343 0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.292 11.975 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.554 11.917 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.395 9.384 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.266 9.528 2.922 1.00 0.00 H new ATOM 97 N PRO A 7 -1.372 11.423 1.994 1.00 0.00 N ATOM 98 CA PRO A 7 -0.168 10.819 2.613 1.00 0.00 C ATOM 99 C PRO A 7 -0.558 9.785 3.701 1.00 0.00 C ATOM 100 O PRO A 7 -1.024 10.157 4.784 1.00 0.00 O ATOM 101 CB PRO A 7 0.603 12.035 3.206 1.00 0.00 C ATOM 102 CG PRO A 7 0.055 13.227 2.475 1.00 0.00 C ATOM 103 CD PRO A 7 -1.395 12.896 2.184 1.00 0.00 C ATOM 0 HA PRO A 7 0.440 10.261 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.441 12.121 4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.678 11.936 3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.137 14.130 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.608 13.410 1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.048 13.186 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.756 13.412 1.294 1.00 0.00 H new ATOM 111 N GLY A 8 -0.412 8.490 3.370 1.00 0.00 N ATOM 112 CA GLY A 8 -0.729 7.390 4.291 1.00 0.00 C ATOM 113 C GLY A 8 -1.845 6.467 3.793 1.00 0.00 C ATOM 114 O GLY A 8 -1.981 5.341 4.294 1.00 0.00 O ATOM 0 H GLY A 8 -0.072 8.180 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.171 6.798 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.019 7.808 5.255 1.00 0.00 H new ATOM 118 N HIS A 9 -2.629 6.914 2.788 1.00 0.00 N ATOM 119 CA HIS A 9 -3.846 6.189 2.349 1.00 0.00 C ATOM 120 C HIS A 9 -4.263 6.561 0.904 1.00 0.00 C ATOM 121 O HIS A 9 -4.010 7.658 0.428 1.00 0.00 O ATOM 122 CB HIS A 9 -4.993 6.469 3.366 1.00 0.00 C ATOM 123 CG HIS A 9 -6.366 5.999 2.956 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.363 6.862 2.561 1.00 0.00 N ATOM 125 CD2 HIS A 9 -6.895 4.756 2.872 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.441 6.177 2.265 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.190 4.892 2.443 1.00 0.00 N ATOM 0 H HIS A 9 -2.444 7.770 2.266 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.629 5.121 2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.736 5.995 4.313 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.037 7.543 3.548 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.390 3.829 3.101 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.379 6.594 1.931 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.849 4.129 2.287 1.00 0.00 H new ATOM 136 N LEU A 10 -4.915 5.601 0.239 1.00 0.00 N ATOM 137 CA LEU A 10 -5.492 5.721 -1.101 1.00 0.00 C ATOM 138 C LEU A 10 -6.845 4.983 -1.104 1.00 0.00 C ATOM 139 O LEU A 10 -7.000 3.961 -0.437 1.00 0.00 O ATOM 140 CB LEU A 10 -4.530 5.089 -2.156 1.00 0.00 C ATOM 141 CG LEU A 10 -5.085 4.933 -3.617 1.00 0.00 C ATOM 142 CD1 LEU A 10 -5.473 6.297 -4.237 1.00 0.00 C ATOM 143 CD2 LEU A 10 -4.078 4.172 -4.511 1.00 0.00 C ATOM 0 H LEU A 10 -5.061 4.675 0.642 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.636 6.770 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.626 5.697 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.234 4.103 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.998 4.341 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.852 6.143 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.245 6.767 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.596 6.943 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.485 4.077 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.138 4.722 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.900 3.180 -4.096 1.00 0.00 H new ATOM 155 N HIS A 11 -7.819 5.529 -1.824 1.00 0.00 N ATOM 156 CA HIS A 11 -9.115 4.880 -2.083 1.00 0.00 C ATOM 157 C HIS A 11 -9.321 4.819 -3.595 1.00 0.00 C ATOM 158 O HIS A 11 -9.005 5.783 -4.299 1.00 0.00 O ATOM 159 CB HIS A 11 -10.261 5.663 -1.395 1.00 0.00 C ATOM 160 CG HIS A 11 -11.656 5.115 -1.636 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.730 5.922 -1.897 1.00 0.00 N ATOM 162 CD2 HIS A 11 -12.148 3.854 -1.627 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.809 5.200 -2.057 1.00 0.00 C ATOM 164 NE2 HIS A 11 -13.491 3.935 -1.891 1.00 0.00 N ATOM 0 H HIS A 11 -7.736 6.450 -2.255 1.00 0.00 H new ATOM 0 HA HIS A 11 -9.121 3.871 -1.671 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -10.075 5.678 -0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -10.230 6.697 -1.739 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.586 2.950 -1.445 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.794 5.579 -2.287 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.135 3.146 -1.949 1.00 0.00 H new ATOM 173 N LEU A 12 -9.817 3.675 -4.091 1.00 0.00 N ATOM 174 CA LEU A 12 -10.080 3.462 -5.518 1.00 0.00 C ATOM 175 C LEU A 12 -11.439 2.765 -5.720 1.00 0.00 C ATOM 176 O LEU A 12 -11.677 1.661 -5.220 1.00 0.00 O ATOM 177 CB LEU A 12 -8.928 2.660 -6.226 1.00 0.00 C ATOM 178 CG LEU A 12 -8.411 1.340 -5.554 1.00 0.00 C ATOM 179 CD1 LEU A 12 -7.621 0.466 -6.561 1.00 0.00 C ATOM 180 CD2 LEU A 12 -7.542 1.635 -4.308 1.00 0.00 C ATOM 0 H LEU A 12 -10.047 2.870 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.116 4.444 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.268 2.409 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.076 3.331 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.291 0.785 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.277 -0.441 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.268 0.199 -7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.762 1.025 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.203 0.696 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.678 2.232 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.132 2.185 -3.575 1.00 0.00 H new ATOM 192 N VAL A 13 -12.337 3.466 -6.421 1.00 0.00 N ATOM 193 CA VAL A 13 -13.547 2.893 -7.045 1.00 0.00 C ATOM 194 C VAL A 13 -13.266 2.798 -8.552 1.00 0.00 C ATOM 195 O VAL A 13 -12.212 3.289 -9.001 1.00 0.00 O ATOM 196 CB VAL A 13 -14.826 3.779 -6.784 1.00 0.00 C ATOM 197 CG1 VAL A 13 -15.081 3.953 -5.270 1.00 0.00 C ATOM 198 CG2 VAL A 13 -14.725 5.153 -7.498 1.00 0.00 C ATOM 0 H VAL A 13 -12.246 4.470 -6.577 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.758 1.915 -6.612 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.681 3.254 -7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.968 4.568 -5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.234 2.976 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.221 4.438 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.624 5.735 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.853 5.692 -7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.628 4.998 -8.573 1.00 0.00 H new ATOM 307 N GLN A 21 -17.793 -1.200 -13.392 1.00 0.00 N ATOM 308 CA GLN A 21 -17.951 -2.391 -12.534 1.00 0.00 C ATOM 309 C GLN A 21 -17.746 -1.986 -11.065 1.00 0.00 C ATOM 310 O GLN A 21 -17.134 -0.950 -10.783 1.00 0.00 O ATOM 311 CB GLN A 21 -16.957 -3.503 -12.969 1.00 0.00 C ATOM 312 CG GLN A 21 -15.471 -3.120 -12.844 1.00 0.00 C ATOM 313 CD GLN A 21 -14.533 -4.120 -13.521 1.00 0.00 C ATOM 314 OE1 GLN A 21 -14.183 -3.966 -14.691 1.00 0.00 O ATOM 315 NE2 GLN A 21 -14.131 -5.163 -12.804 1.00 0.00 N ATOM 0 HA GLN A 21 -18.957 -2.796 -12.642 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -17.141 -4.392 -12.366 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -17.163 -3.771 -14.005 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.318 -2.134 -13.283 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.210 -3.043 -11.789 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.437 -5.265 -11.836 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.516 -5.862 -13.221 1.00 0.00 H new ATOM 324 N ASP A 22 -18.260 -2.801 -10.138 1.00 0.00 N ATOM 325 CA ASP A 22 -18.278 -2.476 -8.697 1.00 0.00 C ATOM 326 C ASP A 22 -16.960 -2.896 -8.000 1.00 0.00 C ATOM 327 O ASP A 22 -16.962 -3.678 -7.053 1.00 0.00 O ATOM 328 CB ASP A 22 -19.529 -3.142 -8.042 1.00 0.00 C ATOM 329 CG ASP A 22 -19.795 -2.666 -6.604 1.00 0.00 C ATOM 330 OD1 ASP A 22 -20.291 -1.528 -6.428 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.495 -3.408 -5.641 1.00 0.00 O ATOM 0 H ASP A 22 -18.676 -3.705 -10.359 1.00 0.00 H new ATOM 0 HA ASP A 22 -18.351 -1.396 -8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.406 -2.931 -8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.395 -4.224 -8.039 1.00 0.00 H new ATOM 336 N ILE A 23 -15.816 -2.373 -8.477 1.00 0.00 N ATOM 337 CA ILE A 23 -14.527 -2.559 -7.786 1.00 0.00 C ATOM 338 C ILE A 23 -14.345 -1.390 -6.804 1.00 0.00 C ATOM 339 O ILE A 23 -14.420 -0.218 -7.194 1.00 0.00 O ATOM 340 CB ILE A 23 -13.304 -2.729 -8.784 1.00 0.00 C ATOM 341 CG1 ILE A 23 -12.916 -1.426 -9.579 1.00 0.00 C ATOM 342 CG2 ILE A 23 -13.581 -3.897 -9.762 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.796 -0.581 -8.967 1.00 0.00 C ATOM 0 H ILE A 23 -15.757 -1.821 -9.333 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.544 -3.498 -7.233 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.439 -2.951 -8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.619 -1.713 -10.588 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.805 -0.803 -9.674 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.738 -4.008 -10.444 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.716 -4.820 -9.198 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.485 -3.686 -10.334 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.612 0.290 -9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.091 -0.253 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.886 -1.178 -8.898 1.00 0.00 H new ATOM 355 N ASN A 24 -14.226 -1.718 -5.513 1.00 0.00 N ATOM 356 CA ASN A 24 -14.122 -0.721 -4.429 1.00 0.00 C ATOM 357 C ASN A 24 -13.094 -1.224 -3.409 1.00 0.00 C ATOM 358 O ASN A 24 -13.288 -2.290 -2.806 1.00 0.00 O ATOM 359 CB ASN A 24 -15.496 -0.497 -3.735 1.00 0.00 C ATOM 360 CG ASN A 24 -16.644 -0.175 -4.693 1.00 0.00 C ATOM 361 OD1 ASN A 24 -16.889 0.987 -5.028 1.00 0.00 O ATOM 362 ND2 ASN A 24 -17.353 -1.194 -5.142 1.00 0.00 N ATOM 0 H ASN A 24 -14.199 -2.683 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.807 0.235 -4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.753 -1.392 -3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.398 0.318 -3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.128 -1.032 -5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.125 -2.143 -4.846 1.00 0.00 H new ATOM 369 N ILE A 25 -11.997 -0.455 -3.211 1.00 0.00 N ATOM 370 CA ILE A 25 -10.825 -0.897 -2.424 1.00 0.00 C ATOM 371 C ILE A 25 -10.293 0.277 -1.580 1.00 0.00 C ATOM 372 O ILE A 25 -10.229 1.415 -2.055 1.00 0.00 O ATOM 373 CB ILE A 25 -9.639 -1.407 -3.338 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.142 -2.373 -4.454 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.522 -2.079 -2.490 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.069 -2.868 -5.394 1.00 0.00 C ATOM 0 H ILE A 25 -11.901 0.486 -3.592 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.163 -1.722 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.214 -0.531 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.618 -3.233 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.909 -1.864 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.721 -2.419 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.124 -1.358 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.937 -2.932 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.513 -3.533 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.607 -2.019 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.311 -3.410 -4.828 1.00 0.00 H new ATOM 388 N HIS A 26 -9.910 -0.025 -0.340 1.00 0.00 N ATOM 389 CA HIS A 26 -9.186 0.888 0.550 1.00 0.00 C ATOM 390 C HIS A 26 -7.743 0.365 0.630 1.00 0.00 C ATOM 391 O HIS A 26 -7.554 -0.835 0.818 1.00 0.00 O ATOM 392 CB HIS A 26 -9.816 0.899 1.978 1.00 0.00 C ATOM 393 CG HIS A 26 -11.325 0.987 2.043 1.00 0.00 C ATOM 394 ND1 HIS A 26 -12.077 0.318 2.985 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.215 1.673 1.295 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.353 0.580 2.803 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.467 1.404 1.783 1.00 0.00 N ATOM 0 H HIS A 26 -10.098 -0.933 0.086 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.230 1.907 0.166 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.503 -0.007 2.497 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.400 1.742 2.529 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.982 2.318 0.461 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.169 0.186 3.391 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.342 1.780 1.417 1.00 0.00 H new ATOM 406 N ILE A 27 -6.743 1.239 0.461 1.00 0.00 N ATOM 407 CA ILE A 27 -5.314 0.871 0.567 1.00 0.00 C ATOM 408 C ILE A 27 -4.624 1.834 1.541 1.00 0.00 C ATOM 409 O ILE A 27 -4.471 3.013 1.246 1.00 0.00 O ATOM 410 CB ILE A 27 -4.560 0.912 -0.827 1.00 0.00 C ATOM 411 CG1 ILE A 27 -5.209 -0.083 -1.850 1.00 0.00 C ATOM 412 CG2 ILE A 27 -3.038 0.616 -0.659 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.525 -0.148 -3.213 1.00 0.00 C ATOM 0 H ILE A 27 -6.896 2.224 0.246 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.268 -0.157 0.927 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.663 1.922 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.208 -1.081 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.251 0.200 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.551 0.652 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.592 1.363 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.906 -0.374 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.047 -0.863 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.549 0.837 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.490 -0.464 -3.086 1.00 0.00 H new ATOM 425 N ARG A 28 -4.238 1.332 2.709 1.00 0.00 N ATOM 426 CA ARG A 28 -3.421 2.079 3.671 1.00 0.00 C ATOM 427 C ARG A 28 -1.967 1.624 3.536 1.00 0.00 C ATOM 428 O ARG A 28 -1.704 0.428 3.357 1.00 0.00 O ATOM 429 CB ARG A 28 -3.902 1.830 5.124 1.00 0.00 C ATOM 430 CG ARG A 28 -5.357 2.252 5.418 1.00 0.00 C ATOM 431 CD ARG A 28 -5.777 1.886 6.855 1.00 0.00 C ATOM 432 NE ARG A 28 -7.166 2.274 7.163 1.00 0.00 N ATOM 433 CZ ARG A 28 -7.919 1.723 8.129 1.00 0.00 C ATOM 434 NH1 ARG A 28 -7.502 0.647 8.796 1.00 0.00 N ATOM 435 NH2 ARG A 28 -9.112 2.224 8.393 1.00 0.00 N ATOM 0 H ARG A 28 -4.482 0.392 3.021 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.513 3.144 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.797 0.768 5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.241 2.366 5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.461 3.327 5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.027 1.767 4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.665 0.811 6.998 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.104 2.374 7.560 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.585 3.015 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.598 0.229 8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.087 0.242 9.527 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.457 3.025 7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.688 1.810 9.125 1.00 0.00 H new ATOM 449 N TYR A 29 -1.033 2.574 3.610 1.00 0.00 N ATOM 450 CA TYR A 29 0.382 2.283 3.837 1.00 0.00 C ATOM 451 C TYR A 29 0.785 3.053 5.101 1.00 0.00 C ATOM 452 O TYR A 29 0.714 4.287 5.153 1.00 0.00 O ATOM 453 CB TYR A 29 1.265 2.614 2.589 1.00 0.00 C ATOM 454 CG TYR A 29 1.287 4.078 2.105 1.00 0.00 C ATOM 455 CD1 TYR A 29 0.266 4.595 1.298 1.00 0.00 C ATOM 456 CD2 TYR A 29 2.343 4.938 2.440 1.00 0.00 C ATOM 457 CE1 TYR A 29 0.302 5.906 0.853 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.378 6.244 1.997 1.00 0.00 C ATOM 459 CZ TYR A 29 1.360 6.722 1.205 1.00 0.00 C ATOM 460 OH TYR A 29 1.395 8.029 0.773 1.00 0.00 O ATOM 0 H TYR A 29 -1.238 3.569 3.514 1.00 0.00 H new ATOM 0 HA TYR A 29 0.546 1.216 3.988 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.290 2.318 2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.926 1.990 1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.563 3.961 1.018 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.147 4.569 3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.495 6.289 0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.201 6.888 2.271 1.00 0.00 H new ATOM 0 HH TYR A 29 0.567 8.237 0.291 1.00 0.00 H new ATOM 470 N GLU A 30 1.157 2.296 6.134 1.00 0.00 N ATOM 471 CA GLU A 30 1.372 2.805 7.491 1.00 0.00 C ATOM 472 C GLU A 30 2.790 2.436 7.917 1.00 0.00 C ATOM 473 O GLU A 30 3.088 1.257 8.101 1.00 0.00 O ATOM 474 CB GLU A 30 0.339 2.146 8.452 1.00 0.00 C ATOM 475 CG GLU A 30 -1.144 2.348 8.064 1.00 0.00 C ATOM 476 CD GLU A 30 -2.118 1.511 8.910 1.00 0.00 C ATOM 477 OE1 GLU A 30 -2.135 1.678 10.147 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.854 0.669 8.351 1.00 0.00 O ATOM 0 H GLU A 30 1.321 1.293 6.050 1.00 0.00 H new ATOM 0 HA GLU A 30 1.245 3.887 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.543 1.076 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.493 2.545 9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.398 3.403 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.275 2.091 7.013 1.00 0.00 H new ATOM 485 N VAL A 31 3.660 3.433 8.090 1.00 0.00 N ATOM 486 CA VAL A 31 5.063 3.193 8.453 1.00 0.00 C ATOM 487 C VAL A 31 5.166 2.930 9.960 1.00 0.00 C ATOM 488 O VAL A 31 4.612 3.683 10.768 1.00 0.00 O ATOM 489 CB VAL A 31 5.978 4.393 8.019 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.455 4.179 8.447 1.00 0.00 C ATOM 491 CG2 VAL A 31 5.870 4.611 6.487 1.00 0.00 C ATOM 0 H VAL A 31 3.419 4.418 7.985 1.00 0.00 H new ATOM 0 HA VAL A 31 5.418 2.312 7.918 1.00 0.00 H new ATOM 0 HB VAL A 31 5.626 5.289 8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.054 5.032 8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.509 4.083 9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.840 3.271 7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.507 5.445 6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.191 3.708 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.836 4.833 6.223 1.00 0.00 H new ATOM 501 N ARG A 32 5.877 1.861 10.318 1.00 0.00 N ATOM 502 CA ARG A 32 6.049 1.430 11.711 1.00 0.00 C ATOM 503 C ARG A 32 7.444 0.804 11.862 1.00 0.00 C ATOM 504 O ARG A 32 8.071 0.432 10.869 1.00 0.00 O ATOM 505 CB ARG A 32 4.945 0.406 12.101 1.00 0.00 C ATOM 506 CG ARG A 32 4.940 0.000 13.599 1.00 0.00 C ATOM 507 CD ARG A 32 4.274 -1.345 13.841 1.00 0.00 C ATOM 508 NE ARG A 32 4.400 -1.804 15.238 1.00 0.00 N ATOM 509 CZ ARG A 32 4.542 -3.091 15.613 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.600 -4.061 14.705 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.623 -3.401 16.899 1.00 0.00 N ATOM 0 H ARG A 32 6.356 1.262 9.645 1.00 0.00 H new ATOM 0 HA ARG A 32 5.959 2.288 12.377 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.972 0.827 11.849 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.070 -0.492 11.495 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.966 -0.037 13.965 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.423 0.766 14.177 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.218 -1.274 13.581 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.716 -2.089 13.178 1.00 0.00 H new ATOM 0 HE ARG A 32 4.378 -1.097 15.972 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.537 -3.835 13.712 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.708 -5.031 15.001 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.578 -2.666 17.605 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.730 -4.375 17.183 1.00 0.00 H new ATOM 525 N GLN A 33 7.936 0.705 13.104 1.00 0.00 N ATOM 526 CA GLN A 33 9.249 0.127 13.399 1.00 0.00 C ATOM 527 C GLN A 33 9.091 -1.232 14.111 1.00 0.00 C ATOM 528 O GLN A 33 8.478 -1.315 15.182 1.00 0.00 O ATOM 529 CB GLN A 33 10.088 1.100 14.274 1.00 0.00 C ATOM 530 CG GLN A 33 10.145 2.560 13.771 1.00 0.00 C ATOM 531 CD GLN A 33 10.819 2.727 12.403 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.038 2.847 12.317 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.033 2.782 11.336 1.00 0.00 N ATOM 0 H GLN A 33 7.433 1.024 13.932 1.00 0.00 H new ATOM 0 HA GLN A 33 9.774 -0.033 12.457 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.680 1.097 15.285 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.106 0.716 14.341 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.130 2.953 13.714 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.680 3.164 14.504 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.024 2.679 11.440 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.438 2.928 10.411 1.00 0.00 H new ATOM 542 N ASN A 34 9.615 -2.291 13.476 1.00 0.00 N ATOM 543 CA ASN A 34 9.737 -3.642 14.084 1.00 0.00 C ATOM 544 C ASN A 34 11.151 -3.842 14.664 1.00 0.00 C ATOM 545 O ASN A 34 12.129 -3.331 14.119 1.00 0.00 O ATOM 546 CB ASN A 34 9.401 -4.783 13.064 1.00 0.00 C ATOM 547 CG ASN A 34 10.397 -5.009 11.901 1.00 0.00 C ATOM 548 OD1 ASN A 34 10.585 -6.134 11.459 1.00 0.00 O ATOM 549 ND2 ASN A 34 11.027 -3.973 11.372 1.00 0.00 N ATOM 0 H ASN A 34 9.970 -2.243 12.521 1.00 0.00 H new ATOM 0 HA ASN A 34 9.005 -3.702 14.890 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.313 -5.717 13.619 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.422 -4.574 12.634 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.671 -4.111 10.594 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.868 -3.036 11.743 1.00 0.00 H new ATOM 556 N ALA A 35 11.247 -4.602 15.764 1.00 0.00 N ATOM 557 CA ALA A 35 12.531 -4.906 16.435 1.00 0.00 C ATOM 558 C ALA A 35 13.397 -5.879 15.604 1.00 0.00 C ATOM 559 O ALA A 35 14.611 -5.972 15.812 1.00 0.00 O ATOM 560 CB ALA A 35 12.267 -5.471 17.841 1.00 0.00 C ATOM 0 H ALA A 35 10.439 -5.027 16.219 1.00 0.00 H new ATOM 0 HA ALA A 35 13.093 -3.976 16.525 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.217 -5.692 18.328 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.719 -4.737 18.431 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.678 -6.385 17.761 1.00 0.00 H new ATOM 566 N GLU A 36 12.750 -6.586 14.666 1.00 0.00 N ATOM 567 CA GLU A 36 13.398 -7.569 13.790 1.00 0.00 C ATOM 568 C GLU A 36 14.297 -6.899 12.726 1.00 0.00 C ATOM 569 O GLU A 36 15.494 -7.187 12.649 1.00 0.00 O ATOM 570 CB GLU A 36 12.297 -8.431 13.113 1.00 0.00 C ATOM 571 CG GLU A 36 12.784 -9.349 11.972 1.00 0.00 C ATOM 572 CD GLU A 36 11.655 -10.180 11.353 1.00 0.00 C ATOM 573 OE1 GLU A 36 10.885 -9.636 10.523 1.00 0.00 O ATOM 574 OE2 GLU A 36 11.518 -11.372 11.698 1.00 0.00 O ATOM 0 H GLU A 36 11.749 -6.489 14.493 1.00 0.00 H new ATOM 0 HA GLU A 36 14.051 -8.198 14.395 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.822 -9.048 13.876 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.529 -7.765 12.718 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.248 -8.741 11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.554 -10.019 12.355 1.00 0.00 H new ATOM 581 N SER A 37 13.718 -5.974 11.936 1.00 0.00 N ATOM 582 CA SER A 37 14.369 -5.421 10.720 1.00 0.00 C ATOM 583 C SER A 37 14.532 -3.886 10.802 1.00 0.00 C ATOM 584 O SER A 37 15.057 -3.268 9.867 1.00 0.00 O ATOM 585 CB SER A 37 13.536 -5.840 9.474 1.00 0.00 C ATOM 586 OG SER A 37 14.152 -5.450 8.258 1.00 0.00 O ATOM 0 H SER A 37 12.791 -5.587 12.116 1.00 0.00 H new ATOM 0 HA SER A 37 15.376 -5.829 10.638 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.399 -6.921 9.479 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.544 -5.393 9.536 1.00 0.00 H new ATOM 0 HG SER A 37 14.707 -4.657 8.412 1.00 0.00 H new ATOM 592 N GLY A 38 14.095 -3.282 11.922 1.00 0.00 N ATOM 593 CA GLY A 38 14.168 -1.829 12.106 1.00 0.00 C ATOM 594 C GLY A 38 12.920 -1.140 11.570 1.00 0.00 C ATOM 595 O GLY A 38 11.834 -1.336 12.102 1.00 0.00 O ATOM 0 H GLY A 38 13.688 -3.782 12.712 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.286 -1.600 13.165 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.049 -1.439 11.596 1.00 0.00 H new ATOM 599 N ALA A 39 13.074 -0.341 10.513 1.00 0.00 N ATOM 600 CA ALA A 39 11.937 0.280 9.806 1.00 0.00 C ATOM 601 C ALA A 39 11.252 -0.724 8.858 1.00 0.00 C ATOM 602 O ALA A 39 11.912 -1.587 8.265 1.00 0.00 O ATOM 603 CB ALA A 39 12.403 1.521 9.028 1.00 0.00 C ATOM 0 H ALA A 39 13.984 -0.103 10.119 1.00 0.00 H new ATOM 0 HA ALA A 39 11.205 0.588 10.553 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.553 1.967 8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.829 2.246 9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.159 1.230 8.298 1.00 0.00 H new ATOM 609 N TYR A 40 9.920 -0.611 8.756 1.00 0.00 N ATOM 610 CA TYR A 40 9.107 -1.327 7.754 1.00 0.00 C ATOM 611 C TYR A 40 7.817 -0.530 7.507 1.00 0.00 C ATOM 612 O TYR A 40 7.597 0.519 8.132 1.00 0.00 O ATOM 613 CB TYR A 40 8.805 -2.800 8.201 1.00 0.00 C ATOM 614 CG TYR A 40 7.623 -3.008 9.175 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.741 -2.740 10.541 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.389 -3.498 8.719 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.682 -2.954 11.403 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.336 -3.700 9.580 1.00 0.00 C ATOM 619 CZ TYR A 40 5.483 -3.434 10.914 1.00 0.00 C ATOM 620 OH TYR A 40 4.430 -3.657 11.771 1.00 0.00 O ATOM 0 H TYR A 40 9.368 -0.014 9.372 1.00 0.00 H new ATOM 0 HA TYR A 40 9.666 -1.402 6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.616 -3.394 7.307 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.704 -3.204 8.667 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.674 -2.360 10.929 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.264 -3.721 7.670 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.792 -2.746 12.457 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.393 -4.068 9.203 1.00 0.00 H new ATOM 0 HH TYR A 40 3.826 -4.323 11.381 1.00 0.00 H new ATOM 630 N VAL A 41 6.969 -1.004 6.578 1.00 0.00 N ATOM 631 CA VAL A 41 5.638 -0.414 6.345 1.00 0.00 C ATOM 632 C VAL A 41 4.575 -1.531 6.390 1.00 0.00 C ATOM 633 O VAL A 41 4.691 -2.542 5.685 1.00 0.00 O ATOM 634 CB VAL A 41 5.546 0.359 4.974 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.232 1.172 4.871 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.765 1.272 4.731 1.00 0.00 C ATOM 0 H VAL A 41 7.182 -1.797 5.974 1.00 0.00 H new ATOM 0 HA VAL A 41 5.459 0.318 7.133 1.00 0.00 H new ATOM 0 HB VAL A 41 5.546 -0.400 4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.200 1.693 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.380 0.497 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.190 1.900 5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.653 1.782 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.831 2.011 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.674 0.670 4.717 1.00 0.00 H new ATOM 646 N HIS A 42 3.582 -1.353 7.268 1.00 0.00 N ATOM 647 CA HIS A 42 2.389 -2.203 7.362 1.00 0.00 C ATOM 648 C HIS A 42 1.352 -1.724 6.335 1.00 0.00 C ATOM 649 O HIS A 42 0.939 -0.564 6.373 1.00 0.00 O ATOM 650 CB HIS A 42 1.806 -2.123 8.806 1.00 0.00 C ATOM 651 CG HIS A 42 0.418 -2.701 8.981 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.181 -4.016 9.302 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.809 -2.125 8.870 1.00 0.00 C ATOM 654 CE1 HIS A 42 -1.116 -4.220 9.382 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.736 -3.091 9.123 1.00 0.00 N ATOM 0 H HIS A 42 3.585 -0.595 7.950 1.00 0.00 H new ATOM 0 HA HIS A 42 2.649 -3.240 7.149 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.485 -2.642 9.482 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.787 -1.078 9.114 1.00 0.00 H new ATOM 0 HD1 HIS A 42 0.899 -4.724 9.455 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.011 -1.092 8.626 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.592 -5.159 9.621 1.00 0.00 H new ATOM 664 N PHE A 43 0.923 -2.608 5.431 1.00 0.00 N ATOM 665 CA PHE A 43 -0.090 -2.290 4.410 1.00 0.00 C ATOM 666 C PHE A 43 -1.410 -2.978 4.781 1.00 0.00 C ATOM 667 O PHE A 43 -1.434 -4.191 5.027 1.00 0.00 O ATOM 668 CB PHE A 43 0.409 -2.747 3.021 1.00 0.00 C ATOM 669 CG PHE A 43 1.810 -2.227 2.690 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.998 -0.919 2.269 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.935 -3.044 2.826 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.259 -0.444 1.986 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.194 -2.569 2.538 1.00 0.00 C ATOM 674 CZ PHE A 43 4.358 -1.269 2.123 1.00 0.00 C ATOM 0 H PHE A 43 1.266 -3.567 5.383 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.258 -1.214 4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.413 -3.836 2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.290 -2.403 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.145 -0.265 2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.815 -4.063 3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.389 0.576 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.052 -3.217 2.638 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.346 -0.893 1.904 1.00 0.00 H new ATOM 684 N ASP A 44 -2.495 -2.194 4.842 1.00 0.00 N ATOM 685 CA ASP A 44 -3.826 -2.667 5.263 1.00 0.00 C ATOM 686 C ASP A 44 -4.869 -2.326 4.189 1.00 0.00 C ATOM 687 O ASP A 44 -5.126 -1.151 3.932 1.00 0.00 O ATOM 688 CB ASP A 44 -4.186 -1.999 6.615 1.00 0.00 C ATOM 689 CG ASP A 44 -5.589 -2.363 7.122 1.00 0.00 C ATOM 690 OD1 ASP A 44 -5.776 -3.507 7.592 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.514 -1.520 7.055 1.00 0.00 O ATOM 0 H ASP A 44 -2.476 -1.204 4.599 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.817 -3.750 5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.450 -2.292 7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.117 -0.917 6.507 1.00 0.00 H new ATOM 696 N MET A 45 -5.460 -3.357 3.561 1.00 0.00 N ATOM 697 CA MET A 45 -6.487 -3.194 2.512 1.00 0.00 C ATOM 698 C MET A 45 -7.803 -3.887 2.915 1.00 0.00 C ATOM 699 O MET A 45 -7.793 -4.895 3.626 1.00 0.00 O ATOM 700 CB MET A 45 -5.998 -3.766 1.145 1.00 0.00 C ATOM 701 CG MET A 45 -4.679 -3.169 0.616 1.00 0.00 C ATOM 702 SD MET A 45 -4.423 -3.441 -1.160 1.00 0.00 S ATOM 703 CE MET A 45 -4.570 -5.222 -1.318 1.00 0.00 C ATOM 0 H MET A 45 -5.239 -4.332 3.766 1.00 0.00 H new ATOM 0 HA MET A 45 -6.666 -2.124 2.402 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.876 -4.845 1.244 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.777 -3.600 0.401 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.668 -2.098 0.817 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.845 -3.605 1.166 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.503 -5.501 -2.370 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.766 -5.704 -0.763 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.531 -5.545 -0.918 1.00 0.00 H new ATOM 713 N ASP A 46 -8.930 -3.308 2.460 1.00 0.00 N ATOM 714 CA ASP A 46 -10.287 -3.898 2.598 1.00 0.00 C ATOM 715 C ASP A 46 -11.284 -3.133 1.712 1.00 0.00 C ATOM 716 O ASP A 46 -10.982 -2.052 1.248 1.00 0.00 O ATOM 717 CB ASP A 46 -10.793 -3.885 4.073 1.00 0.00 C ATOM 718 CG ASP A 46 -11.062 -2.470 4.619 1.00 0.00 C ATOM 719 OD1 ASP A 46 -10.097 -1.733 4.877 1.00 0.00 O ATOM 720 OD2 ASP A 46 -12.241 -2.089 4.802 1.00 0.00 O ATOM 0 H ASP A 46 -8.931 -2.408 1.980 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.218 -4.938 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.709 -4.471 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.054 -4.376 4.706 1.00 0.00 H new ATOM 725 N GLY A 47 -12.476 -3.698 1.502 1.00 0.00 N ATOM 726 CA GLY A 47 -13.540 -3.035 0.726 1.00 0.00 C ATOM 727 C GLY A 47 -14.582 -4.039 0.280 1.00 0.00 C ATOM 728 O GLY A 47 -14.844 -4.992 1.022 1.00 0.00 O ATOM 0 H GLY A 47 -12.734 -4.618 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.010 -2.260 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.108 -2.541 -0.144 1.00 0.00 H new ATOM 732 N GLU A 48 -15.166 -3.858 -0.930 1.00 0.00 N ATOM 733 CA GLU A 48 -16.048 -4.874 -1.531 1.00 0.00 C ATOM 734 C GLU A 48 -16.063 -4.772 -3.075 1.00 0.00 C ATOM 735 O GLU A 48 -16.542 -3.799 -3.675 1.00 0.00 O ATOM 736 CB GLU A 48 -17.483 -4.808 -0.947 1.00 0.00 C ATOM 737 CG GLU A 48 -18.209 -3.460 -1.105 1.00 0.00 C ATOM 738 CD GLU A 48 -19.602 -3.452 -0.460 1.00 0.00 C ATOM 739 OE1 GLU A 48 -20.584 -3.850 -1.124 1.00 0.00 O ATOM 740 OE2 GLU A 48 -19.717 -3.048 0.719 1.00 0.00 O ATOM 0 H GLU A 48 -15.040 -3.022 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.637 -5.849 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.085 -5.582 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.435 -5.051 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.603 -2.672 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.304 -3.226 -2.165 1.00 0.00 H new ATOM 747 N ILE A 49 -15.453 -5.792 -3.693 1.00 0.00 N ATOM 748 CA ILE A 49 -15.425 -5.927 -5.169 1.00 0.00 C ATOM 749 C ILE A 49 -16.472 -6.930 -5.647 1.00 0.00 C ATOM 750 O ILE A 49 -16.488 -8.061 -5.181 1.00 0.00 O ATOM 751 CB ILE A 49 -14.005 -6.366 -5.663 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.920 -5.349 -5.173 1.00 0.00 C ATOM 753 CG2 ILE A 49 -13.976 -6.507 -7.212 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.493 -5.803 -5.390 1.00 0.00 C ATOM 0 H ILE A 49 -14.969 -6.541 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.658 -4.950 -5.593 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.778 -7.343 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.069 -4.401 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.070 -5.160 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.980 -6.813 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.703 -7.258 -7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.225 -5.550 -7.669 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.808 -5.039 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.321 -6.734 -4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.320 -5.963 -6.454 1.00 0.00 H new ATOM 766 N ASP A 50 -17.314 -6.482 -6.604 1.00 0.00 N ATOM 767 CA ASP A 50 -18.526 -7.189 -7.068 1.00 0.00 C ATOM 768 C ASP A 50 -19.548 -7.265 -5.906 1.00 0.00 C ATOM 769 O ASP A 50 -20.446 -8.107 -5.882 1.00 0.00 O ATOM 770 CB ASP A 50 -18.161 -8.593 -7.669 1.00 0.00 C ATOM 771 CG ASP A 50 -19.311 -9.259 -8.445 1.00 0.00 C ATOM 772 OD1 ASP A 50 -19.669 -8.744 -9.523 1.00 0.00 O ATOM 773 OD2 ASP A 50 -19.865 -10.282 -7.978 1.00 0.00 O ATOM 0 H ASP A 50 -17.165 -5.596 -7.087 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.995 -6.634 -7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.305 -8.481 -8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.852 -9.254 -6.860 1.00 0.00 H new ATOM 778 N GLY A 51 -19.407 -6.318 -4.947 1.00 0.00 N ATOM 779 CA GLY A 51 -20.192 -6.310 -3.715 1.00 0.00 C ATOM 780 C GLY A 51 -19.664 -7.268 -2.655 1.00 0.00 C ATOM 781 O GLY A 51 -20.231 -7.344 -1.562 1.00 0.00 O ATOM 0 H GLY A 51 -18.745 -5.546 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.204 -5.299 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.224 -6.572 -3.949 1.00 0.00 H new ATOM 785 N LYS A 52 -18.572 -7.998 -2.980 1.00 0.00 N ATOM 786 CA LYS A 52 -17.989 -9.039 -2.118 1.00 0.00 C ATOM 787 C LYS A 52 -16.988 -8.440 -1.106 1.00 0.00 C ATOM 788 O LYS A 52 -15.893 -8.025 -1.511 1.00 0.00 O ATOM 789 CB LYS A 52 -17.290 -10.097 -3.008 1.00 0.00 C ATOM 790 CG LYS A 52 -18.229 -10.813 -4.013 1.00 0.00 C ATOM 791 CD LYS A 52 -17.469 -11.679 -5.058 1.00 0.00 C ATOM 792 CE LYS A 52 -16.540 -12.736 -4.426 1.00 0.00 C ATOM 793 NZ LYS A 52 -17.269 -13.673 -3.540 1.00 0.00 N ATOM 0 H LYS A 52 -18.069 -7.875 -3.859 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.789 -9.508 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.486 -9.613 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.828 -10.846 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.923 -11.448 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.826 -10.066 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.195 -12.181 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.878 -11.025 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.045 -13.299 -5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.759 -12.234 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.608 -14.384 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.692 -13.145 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.020 -14.149 -4.080 1.00 0.00 H new ATOM 807 N PRO A 53 -17.336 -8.396 0.227 1.00 0.00 N ATOM 808 CA PRO A 53 -16.465 -7.800 1.265 1.00 0.00 C ATOM 809 C PRO A 53 -15.197 -8.644 1.506 1.00 0.00 C ATOM 810 O PRO A 53 -15.274 -9.858 1.716 1.00 0.00 O ATOM 811 CB PRO A 53 -17.379 -7.744 2.518 1.00 0.00 C ATOM 812 CG PRO A 53 -18.359 -8.858 2.315 1.00 0.00 C ATOM 813 CD PRO A 53 -18.601 -8.919 0.818 1.00 0.00 C ATOM 0 HA PRO A 53 -16.084 -6.819 0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.805 -7.882 3.435 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.883 -6.781 2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.962 -9.802 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.287 -8.668 2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.805 -9.938 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.458 -8.312 0.527 1.00 0.00 H new ATOM 821 N PHE A 54 -14.039 -7.982 1.482 1.00 0.00 N ATOM 822 CA PHE A 54 -12.732 -8.640 1.617 1.00 0.00 C ATOM 823 C PHE A 54 -11.835 -7.798 2.524 1.00 0.00 C ATOM 824 O PHE A 54 -12.091 -6.604 2.721 1.00 0.00 O ATOM 825 CB PHE A 54 -12.064 -8.835 0.218 1.00 0.00 C ATOM 826 CG PHE A 54 -11.545 -7.546 -0.448 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.412 -6.682 -1.116 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.185 -7.199 -0.392 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.944 -5.517 -1.694 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.723 -6.034 -0.973 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.603 -5.193 -1.625 1.00 0.00 C ATOM 0 H PHE A 54 -13.978 -6.970 1.368 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.873 -9.625 2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.231 -9.530 0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.787 -9.304 -0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.462 -6.926 -1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.490 -7.853 0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.631 -4.856 -2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.674 -5.781 -0.917 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.243 -4.282 -2.081 1.00 0.00 H new ATOM 841 N SER A 55 -10.793 -8.431 3.072 1.00 0.00 N ATOM 842 CA SER A 55 -9.721 -7.733 3.781 1.00 0.00 C ATOM 843 C SER A 55 -8.401 -8.491 3.578 1.00 0.00 C ATOM 844 O SER A 55 -8.344 -9.712 3.776 1.00 0.00 O ATOM 845 CB SER A 55 -10.063 -7.597 5.280 1.00 0.00 C ATOM 846 OG SER A 55 -9.151 -6.737 5.940 1.00 0.00 O ATOM 0 H SER A 55 -10.671 -9.443 3.035 1.00 0.00 H new ATOM 0 HA SER A 55 -9.613 -6.726 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.076 -7.210 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.044 -8.580 5.750 1.00 0.00 H new ATOM 0 HG SER A 55 -8.735 -6.137 5.286 1.00 0.00 H new ATOM 852 N ASP A 56 -7.360 -7.761 3.161 1.00 0.00 N ATOM 853 CA ASP A 56 -6.012 -8.302 2.908 1.00 0.00 C ATOM 854 C ASP A 56 -4.977 -7.421 3.616 1.00 0.00 C ATOM 855 O ASP A 56 -5.129 -6.203 3.644 1.00 0.00 O ATOM 856 CB ASP A 56 -5.729 -8.337 1.383 1.00 0.00 C ATOM 857 CG ASP A 56 -4.343 -8.921 1.043 1.00 0.00 C ATOM 858 OD1 ASP A 56 -4.208 -10.166 1.029 1.00 0.00 O ATOM 859 OD2 ASP A 56 -3.395 -8.149 0.794 1.00 0.00 O ATOM 0 H ASP A 56 -7.428 -6.759 2.986 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.949 -9.319 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.499 -8.930 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.800 -7.326 0.982 1.00 0.00 H new ATOM 864 N SER A 57 -3.929 -8.034 4.179 1.00 0.00 N ATOM 865 CA SER A 57 -2.864 -7.299 4.876 1.00 0.00 C ATOM 866 C SER A 57 -1.502 -7.957 4.618 1.00 0.00 C ATOM 867 O SER A 57 -1.364 -9.183 4.712 1.00 0.00 O ATOM 868 CB SER A 57 -3.178 -7.241 6.388 1.00 0.00 C ATOM 869 OG SER A 57 -3.285 -8.544 6.949 1.00 0.00 O ATOM 0 H SER A 57 -3.795 -9.045 4.166 1.00 0.00 H new ATOM 0 HA SER A 57 -2.818 -6.280 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.394 -6.686 6.902 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.110 -6.698 6.547 1.00 0.00 H new ATOM 0 HG SER A 57 -3.482 -8.473 7.906 1.00 0.00 H new ATOM 875 N PHE A 58 -0.503 -7.129 4.290 1.00 0.00 N ATOM 876 CA PHE A 58 0.878 -7.571 4.052 1.00 0.00 C ATOM 877 C PHE A 58 1.847 -6.530 4.624 1.00 0.00 C ATOM 878 O PHE A 58 1.555 -5.344 4.607 1.00 0.00 O ATOM 879 CB PHE A 58 1.135 -7.843 2.534 1.00 0.00 C ATOM 880 CG PHE A 58 0.826 -6.678 1.570 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.495 -6.351 1.238 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.851 -5.926 0.984 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.776 -5.317 0.361 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.564 -4.894 0.104 1.00 0.00 C ATOM 885 CZ PHE A 58 0.253 -4.589 -0.206 1.00 0.00 C ATOM 0 H PHE A 58 -0.631 -6.123 4.181 1.00 0.00 H new ATOM 0 HA PHE A 58 1.046 -8.518 4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.181 -8.123 2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.537 -8.703 2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.307 -6.914 1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.880 -6.153 1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.801 -5.079 0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.368 -4.327 -0.341 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.032 -3.783 -0.890 1.00 0.00 H new ATOM 895 N GLU A 59 2.980 -6.997 5.159 1.00 0.00 N ATOM 896 CA GLU A 59 4.007 -6.138 5.788 1.00 0.00 C ATOM 897 C GLU A 59 5.352 -6.424 5.135 1.00 0.00 C ATOM 898 O GLU A 59 5.781 -7.583 5.071 1.00 0.00 O ATOM 899 CB GLU A 59 4.081 -6.396 7.318 1.00 0.00 C ATOM 900 CG GLU A 59 2.796 -6.028 8.078 1.00 0.00 C ATOM 901 CD GLU A 59 2.781 -6.482 9.550 1.00 0.00 C ATOM 902 OE1 GLU A 59 2.940 -7.696 9.808 1.00 0.00 O ATOM 903 OE2 GLU A 59 2.585 -5.636 10.450 1.00 0.00 O ATOM 0 H GLU A 59 3.218 -7.989 5.171 1.00 0.00 H new ATOM 0 HA GLU A 59 3.742 -5.091 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.302 -7.450 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.912 -5.825 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.663 -4.947 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.943 -6.472 7.564 1.00 0.00 H new ATOM 910 N LEU A 60 6.020 -5.370 4.664 1.00 0.00 N ATOM 911 CA LEU A 60 7.282 -5.481 3.929 1.00 0.00 C ATOM 912 C LEU A 60 8.329 -4.615 4.643 1.00 0.00 C ATOM 913 O LEU A 60 8.038 -3.445 4.945 1.00 0.00 O ATOM 914 CB LEU A 60 7.088 -5.031 2.450 1.00 0.00 C ATOM 915 CG LEU A 60 5.983 -5.790 1.637 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.836 -5.215 0.208 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.260 -7.313 1.609 1.00 0.00 C ATOM 0 H LEU A 60 5.699 -4.409 4.782 1.00 0.00 H new ATOM 0 HA LEU A 60 7.621 -6.517 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.849 -3.968 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.038 -5.147 1.929 1.00 0.00 H new ATOM 0 HG LEU A 60 5.032 -5.636 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.062 -5.764 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.560 -4.162 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.783 -5.313 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.478 -7.815 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.227 -7.498 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.270 -7.700 2.628 1.00 0.00 H new ATOM 929 N PRO A 61 9.556 -5.170 4.951 1.00 0.00 N ATOM 930 CA PRO A 61 10.673 -4.386 5.540 1.00 0.00 C ATOM 931 C PRO A 61 11.080 -3.221 4.622 1.00 0.00 C ATOM 932 O PRO A 61 10.799 -3.261 3.426 1.00 0.00 O ATOM 933 CB PRO A 61 11.807 -5.435 5.701 1.00 0.00 C ATOM 934 CG PRO A 61 11.463 -6.512 4.719 1.00 0.00 C ATOM 935 CD PRO A 61 9.954 -6.595 4.743 1.00 0.00 C ATOM 0 HA PRO A 61 10.414 -3.912 6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.783 -5.000 5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.847 -5.824 6.719 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.829 -6.268 3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.915 -7.463 5.001 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.555 -6.996 3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.596 -7.238 5.547 1.00 0.00 H new ATOM 943 N ARG A 62 11.696 -2.178 5.211 1.00 0.00 N ATOM 944 CA ARG A 62 12.126 -0.941 4.500 1.00 0.00 C ATOM 945 C ARG A 62 12.859 -1.166 3.146 1.00 0.00 C ATOM 946 O ARG A 62 12.788 -0.316 2.255 1.00 0.00 O ATOM 947 CB ARG A 62 13.006 -0.066 5.429 1.00 0.00 C ATOM 948 CG ARG A 62 14.366 -0.673 5.834 1.00 0.00 C ATOM 949 CD ARG A 62 15.221 0.325 6.634 1.00 0.00 C ATOM 950 NE ARG A 62 16.537 -0.228 6.989 1.00 0.00 N ATOM 951 CZ ARG A 62 17.625 0.494 7.311 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.584 1.822 7.347 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.751 -0.128 7.618 1.00 0.00 N ATOM 0 H ARG A 62 11.915 -2.163 6.207 1.00 0.00 H new ATOM 0 HA ARG A 62 11.196 -0.433 4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.188 0.887 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.441 0.149 6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.201 -1.570 6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.908 -0.981 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.357 1.234 6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.691 0.608 7.543 1.00 0.00 H new ATOM 0 HE ARG A 62 16.632 -1.244 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.716 2.312 7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.420 2.352 7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.789 -1.147 7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.581 0.412 7.863 1.00 0.00 H new ATOM 967 N ASP A 63 13.520 -2.324 2.993 1.00 0.00 N ATOM 968 CA ASP A 63 14.306 -2.660 1.783 1.00 0.00 C ATOM 969 C ASP A 63 13.398 -3.135 0.620 1.00 0.00 C ATOM 970 O ASP A 63 13.778 -3.049 -0.550 1.00 0.00 O ATOM 971 CB ASP A 63 15.340 -3.758 2.149 1.00 0.00 C ATOM 972 CG ASP A 63 16.318 -4.120 1.013 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.291 -3.365 0.793 1.00 0.00 O ATOM 974 OD2 ASP A 63 16.128 -5.160 0.341 1.00 0.00 O ATOM 0 H ASP A 63 13.528 -3.058 3.702 1.00 0.00 H new ATOM 0 HA ASP A 63 14.819 -1.762 1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.914 -3.425 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.804 -4.658 2.450 1.00 0.00 H new ATOM 979 N THR A 64 12.184 -3.605 0.957 1.00 0.00 N ATOM 980 CA THR A 64 11.242 -4.224 -0.006 1.00 0.00 C ATOM 981 C THR A 64 9.842 -3.569 0.089 1.00 0.00 C ATOM 982 O THR A 64 8.911 -3.995 -0.595 1.00 0.00 O ATOM 983 CB THR A 64 11.114 -5.764 0.242 1.00 0.00 C ATOM 984 OG1 THR A 64 10.638 -6.001 1.578 1.00 0.00 O ATOM 985 CG2 THR A 64 12.450 -6.511 0.037 1.00 0.00 C ATOM 0 H THR A 64 11.822 -3.568 1.910 1.00 0.00 H new ATOM 0 HA THR A 64 11.645 -4.059 -1.005 1.00 0.00 H new ATOM 0 HB THR A 64 10.406 -6.150 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.557 -6.966 1.730 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.304 -7.575 0.222 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.795 -6.364 -0.986 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.195 -6.121 0.731 1.00 0.00 H new ATOM 993 N ALA A 65 9.719 -2.536 0.955 1.00 0.00 N ATOM 994 CA ALA A 65 8.456 -1.796 1.206 1.00 0.00 C ATOM 995 C ALA A 65 7.840 -1.224 -0.085 1.00 0.00 C ATOM 996 O ALA A 65 6.624 -1.236 -0.272 1.00 0.00 O ATOM 997 CB ALA A 65 8.721 -0.671 2.217 1.00 0.00 C ATOM 0 H ALA A 65 10.503 -2.187 1.507 1.00 0.00 H new ATOM 0 HA ALA A 65 7.731 -2.501 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.796 -0.125 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.085 -1.099 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.470 0.011 1.814 1.00 0.00 H new ATOM 1003 N PHE A 66 8.729 -0.766 -0.972 1.00 0.00 N ATOM 1004 CA PHE A 66 8.371 -0.129 -2.260 1.00 0.00 C ATOM 1005 C PHE A 66 7.808 -1.126 -3.296 1.00 0.00 C ATOM 1006 O PHE A 66 7.428 -0.725 -4.390 1.00 0.00 O ATOM 1007 CB PHE A 66 9.594 0.619 -2.837 1.00 0.00 C ATOM 1008 CG PHE A 66 10.290 1.485 -1.797 1.00 0.00 C ATOM 1009 CD1 PHE A 66 9.812 2.756 -1.483 1.00 0.00 C ATOM 1010 CD2 PHE A 66 11.400 1.003 -1.102 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.432 3.514 -0.518 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.007 1.761 -0.133 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.527 3.012 0.157 1.00 0.00 C ATOM 0 H PHE A 66 9.736 -0.825 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 66 7.570 0.580 -2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.304 -0.105 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.274 1.244 -3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.949 3.148 -2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 66 11.786 0.020 -1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.062 4.502 -0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.862 1.373 0.401 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.008 3.608 0.918 1.00 0.00 H new ATOM 1023 N ASN A 67 7.696 -2.413 -2.920 1.00 0.00 N ATOM 1024 CA ASN A 67 7.069 -3.454 -3.757 1.00 0.00 C ATOM 1025 C ASN A 67 5.553 -3.511 -3.490 1.00 0.00 C ATOM 1026 O ASN A 67 4.855 -4.370 -4.047 1.00 0.00 O ATOM 1027 CB ASN A 67 7.719 -4.839 -3.480 1.00 0.00 C ATOM 1028 CG ASN A 67 9.211 -4.899 -3.824 1.00 0.00 C ATOM 1029 OD1 ASN A 67 9.685 -4.226 -4.739 1.00 0.00 O ATOM 1030 ND2 ASN A 67 9.963 -5.696 -3.087 1.00 0.00 N ATOM 0 H ASN A 67 8.039 -2.762 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 67 7.230 -3.200 -4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.588 -5.088 -2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.192 -5.600 -4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.964 -5.765 -3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.543 -6.242 -2.335 1.00 0.00 H new ATOM 1037 N PHE A 68 5.066 -2.578 -2.631 1.00 0.00 N ATOM 1038 CA PHE A 68 3.661 -2.488 -2.231 1.00 0.00 C ATOM 1039 C PHE A 68 2.734 -2.312 -3.431 1.00 0.00 C ATOM 1040 O PHE A 68 1.785 -3.062 -3.563 1.00 0.00 O ATOM 1041 CB PHE A 68 3.435 -1.352 -1.205 1.00 0.00 C ATOM 1042 CG PHE A 68 3.543 0.102 -1.715 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.768 0.647 -2.098 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.408 0.914 -1.807 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.861 1.947 -2.561 1.00 0.00 C ATOM 1046 CE2 PHE A 68 2.501 2.215 -2.269 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.728 2.732 -2.645 1.00 0.00 C ATOM 0 H PHE A 68 5.654 -1.865 -2.199 1.00 0.00 H new ATOM 0 HA PHE A 68 3.412 -3.436 -1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.444 -1.483 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.156 -1.480 -0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.661 0.043 -2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.446 0.520 -1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.819 2.348 -2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.614 2.828 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.800 3.748 -3.004 1.00 0.00 H new ATOM 1057 N ALA A 69 3.019 -1.316 -4.299 1.00 0.00 N ATOM 1058 CA ALA A 69 2.188 -1.012 -5.477 1.00 0.00 C ATOM 1059 C ALA A 69 2.016 -2.223 -6.407 1.00 0.00 C ATOM 1060 O ALA A 69 0.974 -2.364 -7.040 1.00 0.00 O ATOM 1061 CB ALA A 69 2.775 0.189 -6.237 1.00 0.00 C ATOM 0 H ALA A 69 3.829 -0.704 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 69 1.191 -0.757 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.155 0.408 -7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.799 1.059 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.788 -0.047 -6.564 1.00 0.00 H new ATOM 1067 N SER A 70 3.035 -3.103 -6.460 1.00 0.00 N ATOM 1068 CA SER A 70 2.984 -4.340 -7.254 1.00 0.00 C ATOM 1069 C SER A 70 2.058 -5.370 -6.581 1.00 0.00 C ATOM 1070 O SER A 70 1.147 -5.899 -7.222 1.00 0.00 O ATOM 1071 CB SER A 70 4.411 -4.909 -7.431 1.00 0.00 C ATOM 1072 OG SER A 70 5.251 -3.974 -8.094 1.00 0.00 O ATOM 0 H SER A 70 3.912 -2.975 -5.955 1.00 0.00 H new ATOM 0 HA SER A 70 2.577 -4.116 -8.240 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.832 -5.155 -6.456 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.369 -5.836 -8.003 1.00 0.00 H new ATOM 0 HG SER A 70 6.149 -4.354 -8.194 1.00 0.00 H new ATOM 1078 N ASP A 71 2.296 -5.605 -5.272 1.00 0.00 N ATOM 1079 CA ASP A 71 1.557 -6.606 -4.468 1.00 0.00 C ATOM 1080 C ASP A 71 0.070 -6.210 -4.302 1.00 0.00 C ATOM 1081 O ASP A 71 -0.811 -6.998 -4.600 1.00 0.00 O ATOM 1082 CB ASP A 71 2.234 -6.782 -3.078 1.00 0.00 C ATOM 1083 CG ASP A 71 1.754 -8.037 -2.319 1.00 0.00 C ATOM 1084 OD1 ASP A 71 0.680 -8.001 -1.683 1.00 0.00 O ATOM 1085 OD2 ASP A 71 2.459 -9.071 -2.362 1.00 0.00 O ATOM 0 H ASP A 71 3.008 -5.105 -4.741 1.00 0.00 H new ATOM 0 HA ASP A 71 1.588 -7.557 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.314 -6.838 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.034 -5.900 -2.470 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.163 -4.996 -3.777 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.501 -4.360 -3.662 1.00 0.00 C ATOM 1092 C ALA A 72 -2.345 -4.486 -4.953 1.00 0.00 C ATOM 1093 O ALA A 72 -3.521 -4.857 -4.890 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.349 -2.881 -3.263 1.00 0.00 C ATOM 0 H ALA A 72 0.586 -4.409 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.042 -4.898 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.335 -2.423 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.837 -2.814 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.768 -2.357 -4.022 1.00 0.00 H new ATOM 1100 N THR A 73 -1.725 -4.191 -6.118 1.00 0.00 N ATOM 1101 CA THR A 73 -2.392 -4.307 -7.438 1.00 0.00 C ATOM 1102 C THR A 73 -2.619 -5.790 -7.817 1.00 0.00 C ATOM 1103 O THR A 73 -3.623 -6.121 -8.451 1.00 0.00 O ATOM 1104 CB THR A 73 -1.583 -3.566 -8.562 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.495 -2.168 -8.233 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.207 -3.721 -9.973 1.00 0.00 C ATOM 0 H THR A 73 -0.759 -3.869 -6.172 1.00 0.00 H new ATOM 0 HA THR A 73 -3.364 -3.822 -7.354 1.00 0.00 H new ATOM 0 HB THR A 73 -0.596 -4.027 -8.602 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.648 -1.993 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.598 -3.185 -10.701 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.246 -4.777 -10.240 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.217 -3.310 -9.972 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.690 -6.669 -7.394 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.764 -8.123 -7.659 1.00 0.00 C ATOM 1116 C ARG A 74 -2.950 -8.766 -6.899 1.00 0.00 C ATOM 1117 O ARG A 74 -3.654 -9.624 -7.438 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.415 -8.798 -7.278 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.325 -10.311 -7.572 1.00 0.00 C ATOM 1120 CD ARG A 74 -0.488 -10.650 -9.066 1.00 0.00 C ATOM 1121 NE ARG A 74 -0.288 -12.086 -9.327 1.00 0.00 N ATOM 1122 CZ ARG A 74 -0.678 -12.740 -10.431 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -1.370 -12.122 -11.380 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -0.378 -14.021 -10.572 1.00 0.00 N ATOM 0 H ARG A 74 -0.867 -6.393 -6.859 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.940 -8.278 -8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.389 -8.293 -7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.237 -8.641 -6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.638 -10.685 -7.224 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.094 -10.832 -7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.483 -10.355 -9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.228 -10.071 -9.650 1.00 0.00 H new ATOM 0 HE ARG A 74 0.188 -12.629 -8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.612 -11.137 -11.275 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.660 -12.632 -12.214 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.147 -14.505 -9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.672 -14.524 -11.409 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.151 -8.333 -5.649 1.00 0.00 N ATOM 1139 CA VAL A 75 -4.289 -8.752 -4.814 1.00 0.00 C ATOM 1140 C VAL A 75 -5.597 -8.097 -5.305 1.00 0.00 C ATOM 1141 O VAL A 75 -6.664 -8.707 -5.231 1.00 0.00 O ATOM 1142 CB VAL A 75 -4.064 -8.391 -3.300 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -5.246 -8.867 -2.418 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -2.731 -8.969 -2.785 1.00 0.00 C ATOM 0 H VAL A 75 -2.525 -7.677 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.368 -9.835 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.015 -7.304 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.055 -8.600 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.166 -8.387 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.350 -9.949 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.601 -8.704 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.741 -10.054 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.907 -8.558 -3.368 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.505 -6.864 -5.828 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.677 -6.117 -6.315 1.00 0.00 C ATOM 1156 C ALA A 76 -7.269 -6.831 -7.541 1.00 0.00 C ATOM 1157 O ALA A 76 -8.470 -7.122 -7.598 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.269 -4.677 -6.666 1.00 0.00 C ATOM 0 H ALA A 76 -4.624 -6.360 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.437 -6.078 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.140 -4.129 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.872 -4.185 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.505 -4.694 -7.443 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.372 -7.181 -8.479 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.736 -7.872 -9.727 1.00 0.00 C ATOM 1166 C GLN A 77 -7.179 -9.315 -9.443 1.00 0.00 C ATOM 1167 O GLN A 77 -8.054 -9.847 -10.140 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.581 -7.818 -10.763 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.312 -8.597 -10.387 1.00 0.00 C ATOM 1170 CD GLN A 77 -3.168 -8.467 -11.397 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -2.391 -9.403 -11.586 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -3.018 -7.296 -12.013 1.00 0.00 N ATOM 0 H GLN A 77 -5.373 -6.992 -8.393 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.584 -7.347 -10.168 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.952 -8.201 -11.714 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.310 -6.774 -10.924 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.963 -8.251 -9.414 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.566 -9.651 -10.278 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.678 -6.539 -11.836 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.243 -7.156 -12.662 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.582 -9.918 -8.392 1.00 0.00 N ATOM 1182 CA LYS A 78 -6.967 -11.239 -7.858 1.00 0.00 C ATOM 1183 C LYS A 78 -8.476 -11.282 -7.531 1.00 0.00 C ATOM 1184 O LYS A 78 -9.173 -12.254 -7.840 1.00 0.00 O ATOM 1185 CB LYS A 78 -6.147 -11.516 -6.562 1.00 0.00 C ATOM 1186 CG LYS A 78 -5.985 -12.992 -6.165 1.00 0.00 C ATOM 1187 CD LYS A 78 -4.959 -13.719 -7.057 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.667 -15.145 -6.576 1.00 0.00 C ATOM 1189 NZ LYS A 78 -5.871 -16.015 -6.629 1.00 0.00 N ATOM 0 H LYS A 78 -5.807 -9.492 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.757 -12.000 -8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.154 -11.083 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.624 -10.989 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.670 -13.055 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.949 -13.495 -6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.333 -13.754 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.030 -13.148 -7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.880 -15.580 -7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.290 -15.111 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.625 -16.969 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.615 -15.616 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.217 -16.070 -7.608 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.962 -10.180 -6.939 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.349 -10.060 -6.460 1.00 0.00 C ATOM 1205 C HIS A 79 -11.310 -9.485 -7.525 1.00 0.00 C ATOM 1206 O HIS A 79 -12.464 -9.223 -7.192 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.398 -9.204 -5.162 1.00 0.00 C ATOM 1208 CG HIS A 79 -9.885 -9.905 -3.927 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -10.701 -10.264 -2.877 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -8.642 -10.301 -3.569 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -9.985 -10.845 -1.944 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -8.737 -10.881 -2.338 1.00 0.00 N ATOM 0 H HIS A 79 -8.402 -9.343 -6.778 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.696 -11.070 -6.244 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.814 -8.297 -5.318 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.428 -8.893 -4.986 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.740 -10.180 -4.151 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.362 -11.229 -1.008 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.961 -11.279 -1.809 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.881 -9.317 -8.799 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.826 -8.897 -9.858 1.00 0.00 C ATOM 1223 C GLY A 80 -11.347 -7.792 -10.793 1.00 0.00 C ATOM 1224 O GLY A 80 -12.030 -7.522 -11.793 1.00 0.00 O ATOM 0 H GLY A 80 -9.920 -9.460 -9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.075 -9.771 -10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.748 -8.565 -9.381 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.208 -7.127 -10.490 1.00 0.00 N ATOM 1229 CA LEU A 81 -9.686 -6.032 -11.355 1.00 0.00 C ATOM 1230 C LEU A 81 -8.869 -6.596 -12.539 1.00 0.00 C ATOM 1231 O LEU A 81 -7.653 -6.394 -12.616 1.00 0.00 O ATOM 1232 CB LEU A 81 -8.833 -4.983 -10.565 1.00 0.00 C ATOM 1233 CG LEU A 81 -9.599 -3.978 -9.658 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -10.277 -4.678 -8.475 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -8.671 -2.842 -9.175 1.00 0.00 C ATOM 0 H LEU A 81 -9.637 -7.322 -9.667 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.562 -5.511 -11.741 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.123 -5.526 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.250 -4.410 -11.286 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.387 -3.533 -10.265 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.801 -3.940 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.990 -5.413 -8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.523 -5.179 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.235 -2.156 -8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.845 -3.265 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.278 -2.302 -10.037 1.00 0.00 H new ATOM 1466 N TYR A 95 4.478 7.612 -8.432 1.00 0.00 N ATOM 1467 CA TYR A 95 5.144 6.539 -7.694 1.00 0.00 C ATOM 1468 C TYR A 95 6.534 7.003 -7.236 1.00 0.00 C ATOM 1469 O TYR A 95 6.894 6.776 -6.092 1.00 0.00 O ATOM 1470 CB TYR A 95 5.245 5.251 -8.558 1.00 0.00 C ATOM 1471 CG TYR A 95 6.069 4.122 -7.907 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.548 3.350 -6.863 1.00 0.00 C ATOM 1473 CD2 TYR A 95 7.381 3.854 -8.319 1.00 0.00 C ATOM 1474 CE1 TYR A 95 6.307 2.358 -6.265 1.00 0.00 C ATOM 1475 CE2 TYR A 95 8.134 2.873 -7.722 1.00 0.00 C ATOM 1476 CZ TYR A 95 7.596 2.127 -6.704 1.00 0.00 C ATOM 1477 OH TYR A 95 8.353 1.153 -6.121 1.00 0.00 O ATOM 0 HA TYR A 95 4.549 6.300 -6.813 1.00 0.00 H new ATOM 0 HB2 TYR A 95 4.240 4.882 -8.761 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.692 5.505 -9.519 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.540 3.530 -6.519 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.810 4.432 -9.124 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.893 1.768 -5.460 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.146 2.689 -8.053 1.00 0.00 H new ATOM 0 HH TYR A 95 7.798 0.633 -5.503 1.00 0.00 H new ATOM 1487 N ASP A 96 7.305 7.626 -8.157 1.00 0.00 N ATOM 1488 CA ASP A 96 8.642 8.207 -7.860 1.00 0.00 C ATOM 1489 C ASP A 96 8.544 9.282 -6.760 1.00 0.00 C ATOM 1490 O ASP A 96 9.461 9.435 -5.937 1.00 0.00 O ATOM 1491 CB ASP A 96 9.244 8.818 -9.157 1.00 0.00 C ATOM 1492 CG ASP A 96 10.739 9.164 -9.049 1.00 0.00 C ATOM 1493 OD1 ASP A 96 11.584 8.283 -9.331 1.00 0.00 O ATOM 1494 OD2 ASP A 96 11.088 10.309 -8.692 1.00 0.00 O ATOM 0 H ASP A 96 7.020 7.742 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 96 9.294 7.413 -7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.103 8.115 -9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.690 9.721 -9.412 1.00 0.00 H new ATOM 1499 N ALA A 97 7.421 10.013 -6.776 1.00 0.00 N ATOM 1500 CA ALA A 97 7.134 11.085 -5.817 1.00 0.00 C ATOM 1501 C ALA A 97 6.956 10.535 -4.390 1.00 0.00 C ATOM 1502 O ALA A 97 7.565 11.029 -3.433 1.00 0.00 O ATOM 1503 CB ALA A 97 5.879 11.846 -6.275 1.00 0.00 C ATOM 0 H ALA A 97 6.680 9.874 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 97 7.982 11.769 -5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.659 12.645 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.053 12.274 -7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.034 11.159 -6.321 1.00 0.00 H new ATOM 1509 N MET A 98 6.105 9.508 -4.269 1.00 0.00 N ATOM 1510 CA MET A 98 5.847 8.838 -2.983 1.00 0.00 C ATOM 1511 C MET A 98 7.040 7.981 -2.543 1.00 0.00 C ATOM 1512 O MET A 98 7.268 7.828 -1.355 1.00 0.00 O ATOM 1513 CB MET A 98 4.551 7.997 -3.072 1.00 0.00 C ATOM 1514 CG MET A 98 3.268 8.819 -3.304 1.00 0.00 C ATOM 1515 SD MET A 98 2.963 10.064 -2.013 1.00 0.00 S ATOM 1516 CE MET A 98 3.571 11.591 -2.754 1.00 0.00 C ATOM 0 H MET A 98 5.579 9.119 -5.051 1.00 0.00 H new ATOM 0 HA MET A 98 5.710 9.605 -2.221 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.656 7.276 -3.882 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.440 7.426 -2.150 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.335 9.318 -4.271 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.416 8.142 -3.353 1.00 0.00 H new ATOM 0 HE1 MET A 98 3.104 12.445 -2.263 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.653 11.649 -2.632 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.324 11.604 -3.816 1.00 0.00 H new ATOM 1526 N PHE A 99 7.784 7.440 -3.525 1.00 0.00 N ATOM 1527 CA PHE A 99 8.989 6.605 -3.292 1.00 0.00 C ATOM 1528 C PHE A 99 9.971 7.322 -2.352 1.00 0.00 C ATOM 1529 O PHE A 99 10.392 6.757 -1.333 1.00 0.00 O ATOM 1530 CB PHE A 99 9.697 6.259 -4.642 1.00 0.00 C ATOM 1531 CG PHE A 99 10.886 5.280 -4.537 1.00 0.00 C ATOM 1532 CD1 PHE A 99 12.155 5.714 -4.121 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.735 3.932 -4.860 1.00 0.00 C ATOM 1534 CE1 PHE A 99 13.217 4.838 -4.037 1.00 0.00 C ATOM 1535 CE2 PHE A 99 11.805 3.058 -4.774 1.00 0.00 C ATOM 1536 CZ PHE A 99 13.042 3.509 -4.361 1.00 0.00 C ATOM 0 H PHE A 99 7.568 7.568 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 99 8.667 5.676 -2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.958 5.834 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.051 7.185 -5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 99 12.302 6.752 -3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.771 3.565 -5.181 1.00 0.00 H new ATOM 0 HE1 PHE A 99 14.186 5.193 -3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.671 2.018 -5.031 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.872 2.822 -4.292 1.00 0.00 H new ATOM 1546 N GLU A 100 10.308 8.574 -2.706 1.00 0.00 N ATOM 1547 CA GLU A 100 11.334 9.351 -1.993 1.00 0.00 C ATOM 1548 C GLU A 100 10.840 9.849 -0.622 1.00 0.00 C ATOM 1549 O GLU A 100 11.646 10.042 0.293 1.00 0.00 O ATOM 1550 CB GLU A 100 11.855 10.519 -2.847 1.00 0.00 C ATOM 1551 CG GLU A 100 10.800 11.570 -3.241 1.00 0.00 C ATOM 1552 CD GLU A 100 11.418 12.792 -3.923 1.00 0.00 C ATOM 1553 OE1 GLU A 100 11.651 12.748 -5.149 1.00 0.00 O ATOM 1554 OE2 GLU A 100 11.705 13.788 -3.231 1.00 0.00 O ATOM 0 H GLU A 100 9.881 9.071 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 100 12.166 8.671 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.655 11.019 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.297 10.113 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.070 11.115 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.260 11.890 -2.350 1.00 0.00 H new ATOM 1561 N ASP A 101 9.527 10.068 -0.494 1.00 0.00 N ATOM 1562 CA ASP A 101 8.918 10.485 0.779 1.00 0.00 C ATOM 1563 C ASP A 101 8.878 9.306 1.782 1.00 0.00 C ATOM 1564 O ASP A 101 9.201 9.480 2.960 1.00 0.00 O ATOM 1565 CB ASP A 101 7.504 11.076 0.544 1.00 0.00 C ATOM 1566 CG ASP A 101 6.895 11.677 1.827 1.00 0.00 C ATOM 1567 OD1 ASP A 101 7.493 12.633 2.385 1.00 0.00 O ATOM 1568 OD2 ASP A 101 5.852 11.177 2.311 1.00 0.00 O ATOM 0 H ASP A 101 8.861 9.963 -1.259 1.00 0.00 H new ATOM 0 HA ASP A 101 9.537 11.269 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.559 11.847 -0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.846 10.295 0.164 1.00 0.00 H new ATOM 1573 N ILE A 102 8.465 8.118 1.289 1.00 0.00 N ATOM 1574 CA ILE A 102 8.422 6.867 2.085 1.00 0.00 C ATOM 1575 C ILE A 102 9.836 6.433 2.544 1.00 0.00 C ATOM 1576 O ILE A 102 10.012 6.104 3.707 1.00 0.00 O ATOM 1577 CB ILE A 102 7.718 5.688 1.292 1.00 0.00 C ATOM 1578 CG1 ILE A 102 6.222 6.048 0.976 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.803 4.329 2.049 1.00 0.00 C ATOM 1580 CD1 ILE A 102 5.495 5.060 0.066 1.00 0.00 C ATOM 0 H ILE A 102 8.151 7.997 0.326 1.00 0.00 H new ATOM 0 HA ILE A 102 7.826 7.083 2.971 1.00 0.00 H new ATOM 0 HB ILE A 102 8.260 5.568 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.676 6.121 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.192 7.034 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.306 3.555 1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.849 4.059 2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.313 4.421 3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.470 5.397 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.010 5.002 -0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.485 4.075 0.533 1.00 0.00 H new ATOM 1592 N ARG A 103 10.832 6.446 1.623 1.00 0.00 N ATOM 1593 CA ARG A 103 12.238 6.064 1.958 1.00 0.00 C ATOM 1594 C ARG A 103 12.801 6.987 3.061 1.00 0.00 C ATOM 1595 O ARG A 103 13.626 6.576 3.884 1.00 0.00 O ATOM 1596 CB ARG A 103 13.154 6.031 0.685 1.00 0.00 C ATOM 1597 CG ARG A 103 13.470 7.389 0.011 1.00 0.00 C ATOM 1598 CD ARG A 103 14.693 8.110 0.605 1.00 0.00 C ATOM 1599 NE ARG A 103 14.743 9.537 0.236 1.00 0.00 N ATOM 1600 CZ ARG A 103 15.497 10.465 0.850 1.00 0.00 C ATOM 1601 NH1 ARG A 103 16.324 10.133 1.827 1.00 0.00 N ATOM 1602 NH2 ARG A 103 15.420 11.732 0.480 1.00 0.00 N ATOM 0 H ARG A 103 10.695 6.714 0.648 1.00 0.00 H new ATOM 0 HA ARG A 103 12.228 5.047 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.098 5.561 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.681 5.387 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.639 7.225 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.599 8.039 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.672 8.020 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.603 7.617 0.262 1.00 0.00 H new ATOM 0 HE ARG A 103 14.161 9.843 -0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.397 9.160 2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.889 10.850 2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.788 12.006 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.993 12.435 0.947 1.00 0.00 H new ATOM 1616 N ALA A 104 12.318 8.237 3.043 1.00 0.00 N ATOM 1617 CA ALA A 104 12.695 9.263 4.006 1.00 0.00 C ATOM 1618 C ALA A 104 11.997 9.017 5.363 1.00 0.00 C ATOM 1619 O ALA A 104 12.598 9.227 6.412 1.00 0.00 O ATOM 1620 CB ALA A 104 12.373 10.642 3.444 1.00 0.00 C ATOM 0 H ALA A 104 11.646 8.561 2.347 1.00 0.00 H new ATOM 0 HA ALA A 104 13.769 9.214 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.657 11.405 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.927 10.796 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.304 10.712 3.243 1.00 0.00 H new ATOM 1626 N LYS A 105 10.713 8.604 5.335 1.00 0.00 N ATOM 1627 CA LYS A 105 9.954 8.211 6.546 1.00 0.00 C ATOM 1628 C LYS A 105 10.551 6.948 7.217 1.00 0.00 C ATOM 1629 O LYS A 105 10.496 6.787 8.438 1.00 0.00 O ATOM 1630 CB LYS A 105 8.470 7.963 6.160 1.00 0.00 C ATOM 1631 CG LYS A 105 7.474 7.814 7.348 1.00 0.00 C ATOM 1632 CD LYS A 105 6.797 9.136 7.788 1.00 0.00 C ATOM 1633 CE LYS A 105 7.758 10.182 8.379 1.00 0.00 C ATOM 1634 NZ LYS A 105 7.041 11.410 8.787 1.00 0.00 N ATOM 0 H LYS A 105 10.171 8.533 4.474 1.00 0.00 H new ATOM 0 HA LYS A 105 10.021 9.023 7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.135 8.789 5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.419 7.059 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.700 7.099 7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.006 7.391 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.290 9.573 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.030 8.907 8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.274 9.758 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.521 10.433 7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.719 12.093 9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.569 11.828 7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.330 11.173 9.508 1.00 0.00 H new ATOM 1648 N LEU A 106 11.102 6.064 6.381 1.00 0.00 N ATOM 1649 CA LEU A 106 11.891 4.879 6.804 1.00 0.00 C ATOM 1650 C LEU A 106 13.234 5.303 7.449 1.00 0.00 C ATOM 1651 O LEU A 106 13.848 4.527 8.180 1.00 0.00 O ATOM 1652 CB LEU A 106 12.110 3.937 5.573 1.00 0.00 C ATOM 1653 CG LEU A 106 10.926 2.959 5.195 1.00 0.00 C ATOM 1654 CD1 LEU A 106 9.534 3.552 5.491 1.00 0.00 C ATOM 1655 CD2 LEU A 106 11.015 2.527 3.708 1.00 0.00 C ATOM 0 H LEU A 106 11.017 6.144 5.368 1.00 0.00 H new ATOM 0 HA LEU A 106 11.337 4.332 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.325 4.560 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.999 3.335 5.761 1.00 0.00 H new ATOM 0 HG LEU A 106 11.043 2.083 5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.765 2.833 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.452 3.774 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.400 4.469 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.189 1.855 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.958 3.408 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.961 2.014 3.534 1.00 0.00 H new ATOM 1667 N HIS A 107 13.673 6.539 7.144 1.00 0.00 N ATOM 1668 CA HIS A 107 14.821 7.204 7.812 1.00 0.00 C ATOM 1669 C HIS A 107 14.334 7.978 9.077 1.00 0.00 C ATOM 1670 O HIS A 107 15.151 8.379 9.912 1.00 0.00 O ATOM 1671 CB HIS A 107 15.519 8.154 6.799 1.00 0.00 C ATOM 1672 CG HIS A 107 16.818 8.781 7.255 1.00 0.00 C ATOM 1673 ND1 HIS A 107 18.054 8.280 6.906 1.00 0.00 N ATOM 1674 CD2 HIS A 107 17.068 9.883 8.006 1.00 0.00 C ATOM 1675 CE1 HIS A 107 18.997 9.038 7.425 1.00 0.00 C ATOM 1676 NE2 HIS A 107 18.427 10.017 8.095 1.00 0.00 N ATOM 0 H HIS A 107 13.240 7.114 6.421 1.00 0.00 H new ATOM 0 HA HIS A 107 15.542 6.456 8.142 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.711 7.596 5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.824 8.954 6.545 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.331 10.534 8.451 1.00 0.00 H new ATOM 0 HE1 HIS A 107 20.060 8.882 7.319 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.918 10.755 8.599 1.00 0.00 H new ATOM 1685 N ALA A 108 12.997 8.221 9.141 1.00 0.00 N ATOM 1686 CA ALA A 108 12.249 8.820 10.284 1.00 0.00 C ATOM 1687 C ALA A 108 12.162 10.361 10.196 1.00 0.00 C ATOM 1688 O ALA A 108 11.793 11.021 11.174 1.00 0.00 O ATOM 1689 CB ALA A 108 12.756 8.340 11.663 1.00 0.00 C ATOM 0 H ALA A 108 12.381 7.994 8.361 1.00 0.00 H new ATOM 0 HA ALA A 108 11.230 8.445 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 108 12.170 8.813 12.451 1.00 0.00 H new ATOM 0 HB2 ALA A 108 12.651 7.257 11.733 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.805 8.611 11.779 1.00 0.00 H new ATOM 1727 N GLY A 111 10.496 13.463 3.337 1.00 0.00 N ATOM 1728 CA GLY A 111 11.275 13.852 2.155 1.00 0.00 C ATOM 1729 C GLY A 111 10.362 14.108 0.983 1.00 0.00 C ATOM 1730 O GLY A 111 10.430 13.411 -0.037 1.00 0.00 O ATOM 0 HA2 GLY A 111 11.856 14.748 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 111 11.986 13.064 1.905 1.00 0.00 H new ATOM 1734 N GLU A 112 9.490 15.118 1.164 1.00 0.00 N ATOM 1735 CA GLU A 112 8.443 15.484 0.199 1.00 0.00 C ATOM 1736 C GLU A 112 9.020 15.796 -1.215 1.00 0.00 C ATOM 1737 O GLU A 112 10.083 16.423 -1.332 1.00 0.00 O ATOM 1738 CB GLU A 112 7.599 16.690 0.713 1.00 0.00 C ATOM 1739 CG GLU A 112 8.371 18.021 0.952 1.00 0.00 C ATOM 1740 CD GLU A 112 9.118 18.091 2.300 1.00 0.00 C ATOM 1741 OE1 GLU A 112 10.281 17.656 2.382 1.00 0.00 O ATOM 1742 OE2 GLU A 112 8.537 18.570 3.287 1.00 0.00 O ATOM 0 H GLU A 112 9.495 15.708 1.996 1.00 0.00 H new ATOM 0 HA GLU A 112 7.793 14.614 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.802 16.881 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.121 16.399 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.090 18.160 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.666 18.851 0.898 1.00 0.00 H new ATOM 1749 N PRO A 113 8.326 15.337 -2.305 1.00 0.00 N ATOM 1750 CA PRO A 113 8.765 15.558 -3.704 1.00 0.00 C ATOM 1751 C PRO A 113 8.404 16.964 -4.221 1.00 0.00 C ATOM 1752 O PRO A 113 7.587 17.127 -5.137 1.00 0.00 O ATOM 1753 CB PRO A 113 8.009 14.445 -4.455 1.00 0.00 C ATOM 1754 CG PRO A 113 6.713 14.322 -3.710 1.00 0.00 C ATOM 1755 CD PRO A 113 7.061 14.536 -2.256 1.00 0.00 C ATOM 0 HA PRO A 113 9.847 15.514 -3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.845 14.708 -5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.566 13.508 -4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 113 5.991 15.063 -4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 113 6.263 13.342 -3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.270 15.070 -1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.207 13.589 -1.736 1.00 0.00 H new ATOM 1763 N VAL A 114 9.030 17.983 -3.620 1.00 0.00 N ATOM 1764 CA VAL A 114 8.821 19.385 -4.003 1.00 0.00 C ATOM 1765 C VAL A 114 9.728 19.733 -5.217 1.00 0.00 C ATOM 1766 O VAL A 114 10.743 20.430 -5.117 1.00 0.00 O ATOM 1767 CB VAL A 114 9.021 20.346 -2.758 1.00 0.00 C ATOM 1768 CG1 VAL A 114 10.439 20.245 -2.145 1.00 0.00 C ATOM 1769 CG2 VAL A 114 8.657 21.808 -3.101 1.00 0.00 C ATOM 0 H VAL A 114 9.694 17.860 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 114 7.790 19.536 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 114 8.326 20.002 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.518 20.925 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.618 19.224 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.180 20.515 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 114 8.807 22.436 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.294 22.161 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 114 7.613 21.860 -3.410 1.00 0.00 H new ATOM 1779 N ASP A 115 9.344 19.193 -6.384 1.00 0.00 N ATOM 1780 CA ASP A 115 10.102 19.331 -7.655 1.00 0.00 C ATOM 1781 C ASP A 115 9.647 20.584 -8.430 1.00 0.00 C ATOM 1782 O ASP A 115 9.557 20.581 -9.664 1.00 0.00 O ATOM 1783 CB ASP A 115 9.966 18.033 -8.518 1.00 0.00 C ATOM 1784 CG ASP A 115 8.525 17.704 -8.953 1.00 0.00 C ATOM 1785 OD1 ASP A 115 7.720 17.295 -8.091 1.00 0.00 O ATOM 1786 OD2 ASP A 115 8.188 17.859 -10.146 1.00 0.00 O ATOM 0 H ASP A 115 8.492 18.641 -6.482 1.00 0.00 H new ATOM 0 HA ASP A 115 11.158 19.461 -7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 115 10.586 18.137 -9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 115 10.362 17.191 -7.950 1.00 0.00 H new ATOM 1791 N LEU A 116 9.430 21.683 -7.683 1.00 0.00 N ATOM 1792 CA LEU A 116 8.927 22.953 -8.235 1.00 0.00 C ATOM 1793 C LEU A 116 9.907 23.579 -9.258 1.00 0.00 C ATOM 1794 O LEU A 116 9.472 24.257 -10.197 1.00 0.00 O ATOM 1795 CB LEU A 116 8.542 23.934 -7.069 1.00 0.00 C ATOM 1796 CG LEU A 116 9.651 24.389 -6.037 1.00 0.00 C ATOM 1797 CD1 LEU A 116 10.658 25.412 -6.616 1.00 0.00 C ATOM 1798 CD2 LEU A 116 8.995 24.964 -4.758 1.00 0.00 C ATOM 0 H LEU A 116 9.599 21.714 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 116 8.020 22.746 -8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.129 24.835 -7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 116 7.738 23.466 -6.500 1.00 0.00 H new ATOM 0 HG LEU A 116 10.222 23.492 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.388 25.677 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.172 24.973 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 116 10.124 26.308 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.771 25.272 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.380 25.825 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.371 24.200 -4.294 1.00 0.00 H new ATOM 1810 N GLU A 117 11.224 23.320 -9.077 1.00 0.00 N ATOM 1811 CA GLU A 117 12.294 23.884 -9.934 1.00 0.00 C ATOM 1812 C GLU A 117 12.324 23.203 -11.322 1.00 0.00 C ATOM 1813 O GLU A 117 12.865 23.762 -12.276 1.00 0.00 O ATOM 1814 CB GLU A 117 13.677 23.743 -9.231 1.00 0.00 C ATOM 1815 CG GLU A 117 14.862 24.432 -9.956 1.00 0.00 C ATOM 1816 CD GLU A 117 16.237 24.094 -9.351 1.00 0.00 C ATOM 1817 OE1 GLU A 117 16.670 24.777 -8.400 1.00 0.00 O ATOM 1818 OE2 GLU A 117 16.889 23.135 -9.823 1.00 0.00 O ATOM 0 H GLU A 117 11.574 22.715 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 117 12.079 24.942 -10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.599 24.156 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.905 22.683 -9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 117 14.855 24.139 -11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 117 14.717 25.512 -9.926 1.00 0.00 H new ATOM 1825 N ARG A 118 11.717 22.001 -11.433 1.00 0.00 N ATOM 1826 CA ARG A 118 11.692 21.223 -12.696 1.00 0.00 C ATOM 1827 C ARG A 118 10.816 21.917 -13.771 1.00 0.00 C ATOM 1828 O ARG A 118 10.911 21.598 -14.956 1.00 0.00 O ATOM 1829 CB ARG A 118 11.206 19.771 -12.417 1.00 0.00 C ATOM 1830 CG ARG A 118 11.368 18.776 -13.594 1.00 0.00 C ATOM 1831 CD ARG A 118 12.829 18.657 -14.082 1.00 0.00 C ATOM 1832 NE ARG A 118 13.759 18.295 -12.989 1.00 0.00 N ATOM 1833 CZ ARG A 118 15.068 18.040 -13.133 1.00 0.00 C ATOM 1834 NH1 ARG A 118 15.641 18.035 -14.333 1.00 0.00 N ATOM 1835 NH2 ARG A 118 15.806 17.789 -12.062 1.00 0.00 N ATOM 0 H ARG A 118 11.234 21.544 -10.659 1.00 0.00 H new ATOM 0 HA ARG A 118 12.706 21.177 -13.094 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.752 19.382 -11.558 1.00 0.00 H new ATOM 0 HB3 ARG A 118 10.153 19.806 -12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.012 17.793 -13.284 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.738 19.096 -14.424 1.00 0.00 H new ATOM 0 HD2 ARG A 118 12.887 17.905 -14.869 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.141 19.604 -14.523 1.00 0.00 H new ATOM 0 HE ARG A 118 13.372 18.234 -12.047 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.083 18.227 -15.165 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.638 17.839 -14.421 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.378 17.791 -11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.802 17.594 -12.163 1.00 0.00 H new ATOM 1849 N ILE A 119 9.968 22.868 -13.334 1.00 0.00 N ATOM 1850 CA ILE A 119 9.200 23.741 -14.241 1.00 0.00 C ATOM 1851 C ILE A 119 10.145 24.755 -14.914 1.00 0.00 C ATOM 1852 O ILE A 119 9.983 25.098 -16.092 1.00 0.00 O ATOM 1853 CB ILE A 119 8.042 24.478 -13.457 1.00 0.00 C ATOM 1854 CG1 ILE A 119 6.981 23.447 -12.935 1.00 0.00 C ATOM 1855 CG2 ILE A 119 7.363 25.587 -14.302 1.00 0.00 C ATOM 1856 CD1 ILE A 119 6.263 22.656 -14.029 1.00 0.00 C ATOM 0 H ILE A 119 9.797 23.052 -12.345 1.00 0.00 H new ATOM 0 HA ILE A 119 8.738 23.129 -15.016 1.00 0.00 H new ATOM 0 HB ILE A 119 8.503 24.971 -12.601 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.477 22.745 -12.264 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.237 23.981 -12.344 1.00 0.00 H new ATOM 0 HG21 ILE A 119 6.576 26.060 -13.716 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.104 26.334 -14.585 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.931 25.147 -15.201 1.00 0.00 H new ATOM 0 HD11 ILE A 119 5.550 21.970 -13.573 1.00 0.00 H new ATOM 0 HD12 ILE A 119 5.734 23.344 -14.688 1.00 0.00 H new ATOM 0 HD13 ILE A 119 6.993 22.089 -14.607 1.00 0.00 H new ATOM 1868 N ILE A 120 11.157 25.199 -14.153 1.00 0.00 N ATOM 1869 CA ILE A 120 12.153 26.168 -14.616 1.00 0.00 C ATOM 1870 C ILE A 120 13.258 25.400 -15.378 1.00 0.00 C ATOM 1871 O ILE A 120 14.313 25.043 -14.832 1.00 0.00 O ATOM 1872 CB ILE A 120 12.742 27.040 -13.427 1.00 0.00 C ATOM 1873 CG1 ILE A 120 11.608 27.810 -12.643 1.00 0.00 C ATOM 1874 CG2 ILE A 120 13.803 28.044 -13.951 1.00 0.00 C ATOM 1875 CD1 ILE A 120 10.742 26.965 -11.714 1.00 0.00 C ATOM 0 H ILE A 120 11.305 24.891 -13.192 1.00 0.00 H new ATOM 0 HA ILE A 120 11.677 26.883 -15.287 1.00 0.00 H new ATOM 0 HB ILE A 120 13.220 26.350 -12.732 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.074 28.600 -12.054 1.00 0.00 H new ATOM 0 HG13 ILE A 120 10.958 28.296 -13.370 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.192 28.630 -13.118 1.00 0.00 H new ATOM 0 HG22 ILE A 120 14.620 27.497 -14.423 1.00 0.00 H new ATOM 0 HG23 ILE A 120 13.344 28.711 -14.681 1.00 0.00 H new ATOM 0 HD11 ILE A 120 10.000 27.600 -11.231 1.00 0.00 H new ATOM 0 HD12 ILE A 120 10.237 26.191 -12.292 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.370 26.499 -10.955 1.00 0.00 H new ATOM 1887 N ARG A 121 12.920 25.050 -16.624 1.00 0.00 N ATOM 1888 CA ARG A 121 13.832 24.405 -17.587 1.00 0.00 C ATOM 1889 C ARG A 121 13.542 24.922 -19.010 1.00 0.00 C ATOM 1890 O ARG A 121 14.327 24.678 -19.934 1.00 0.00 O ATOM 1891 CB ARG A 121 13.694 22.851 -17.517 1.00 0.00 C ATOM 1892 CG ARG A 121 12.270 22.286 -17.850 1.00 0.00 C ATOM 1893 CD ARG A 121 12.200 21.462 -19.163 1.00 0.00 C ATOM 1894 NE ARG A 121 12.504 22.269 -20.370 1.00 0.00 N ATOM 1895 CZ ARG A 121 11.636 22.571 -21.351 1.00 0.00 C ATOM 1896 NH1 ARG A 121 10.370 22.191 -21.280 1.00 0.00 N ATOM 1897 NH2 ARG A 121 12.042 23.276 -22.395 1.00 0.00 N ATOM 0 H ARG A 121 11.986 25.209 -17.003 1.00 0.00 H new ATOM 0 HA ARG A 121 14.860 24.660 -17.328 1.00 0.00 H new ATOM 0 HB2 ARG A 121 14.412 22.408 -18.207 1.00 0.00 H new ATOM 0 HB3 ARG A 121 13.971 22.524 -16.515 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.939 21.658 -17.023 1.00 0.00 H new ATOM 0 HG3 ARG A 121 11.569 23.118 -17.919 1.00 0.00 H new ATOM 0 HD2 ARG A 121 12.903 20.631 -19.102 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.204 21.031 -19.262 1.00 0.00 H new ATOM 0 HE ARG A 121 13.455 22.626 -20.464 1.00 0.00 H new ATOM 0 HH11 ARG A 121 10.041 21.661 -20.473 1.00 0.00 H new ATOM 0 HH12 ARG A 121 9.723 22.428 -22.033 1.00 0.00 H new ATOM 0 HH21 ARG A 121 13.011 23.589 -22.454 1.00 0.00 H new ATOM 0 HH22 ARG A 121 11.386 23.507 -23.141 1.00 0.00 H new