USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HE2:sc= 0.275 K(o=0.28,f=-1.2) USER MOD Single : A 11 HIS : no HD1:sc= -0.336 X(o=-0.34,f=0.06) USER MOD Single : A 21 GLN : amide:sc= 0.277 K(o=0.28,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= -0.978 K(o=-0.98,f=0.59) USER MOD Single : A 26 HIS : no HD1:sc= -0.0641 K(o=-0.064,f=-0.83) USER MOD Single : A 29 TYR OH : rot -39:sc= 1.22 USER MOD Single : A 33 GLN : amide:sc= -0.982 X(o=-0.98,f=-0.52) USER MOD Single : A 34 ASN : amide:sc= -1.63 K(o=-1.6,f=-8.3!) USER MOD Single : A 37 SER OG : rot -25:sc= 0.315 USER MOD Single : A 40 TYR OH : rot -159:sc= 0.0216 USER MOD Single : A 42 HIS : no HE2:sc=-0.00127 X(o=-0.0013,f=-0.38) USER MOD Single : A 45 MET CE :methyl 139:sc= -0.502 (180deg=-1.68) USER MOD Single : A 52 LYS NZ :NH3+ -109:sc= 0.0593 (180deg=0) USER MOD Single : A 55 SER OG : rot 37:sc= 0.209 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 139:sc= -0.33 USER MOD Single : A 67 ASN : amide:sc= -0.776 X(o=-0.78,f=-0.34) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 90:sc= 0.912 USER MOD Single : A 77 GLN : amide:sc=-0.00104 K(o=-0.001,f=-0.8) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= 0.168 K(o=0.17,f=-1.9) USER MOD Single : A 95 TYR OH : rot -110:sc= 0.0595 USER MOD Single : A 98 MET CE :methyl -118:sc= -1.79 (180deg=-5.23!) USER MOD Single : A 105 LYS NZ :NH3+ -120:sc= 0.851 (180deg=-0.0575) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -6.456 10.292 -2.404 1.00 0.00 N ATOM 63 CA PHE A 5 -5.114 10.098 -1.835 1.00 0.00 C ATOM 64 C PHE A 5 -4.883 11.086 -0.680 1.00 0.00 C ATOM 65 O PHE A 5 -5.240 12.263 -0.778 1.00 0.00 O ATOM 66 CB PHE A 5 -4.040 10.290 -2.934 1.00 0.00 C ATOM 67 CG PHE A 5 -2.597 10.108 -2.449 1.00 0.00 C ATOM 68 CD1 PHE A 5 -2.164 8.881 -1.944 1.00 0.00 C ATOM 69 CD2 PHE A 5 -1.683 11.161 -2.488 1.00 0.00 C ATOM 70 CE1 PHE A 5 -0.867 8.717 -1.501 1.00 0.00 C ATOM 71 CE2 PHE A 5 -0.387 10.992 -2.048 1.00 0.00 C ATOM 72 CZ PHE A 5 0.022 9.772 -1.553 1.00 0.00 C ATOM 0 HA PHE A 5 -5.036 9.083 -1.445 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.232 9.581 -3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.145 11.289 -3.357 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.852 8.050 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.995 12.123 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.547 7.761 -1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.309 11.817 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.037 9.642 -1.206 1.00 0.00 H new ATOM 82 N GLU A 6 -4.264 10.592 0.391 1.00 0.00 N ATOM 83 CA GLU A 6 -3.931 11.369 1.590 1.00 0.00 C ATOM 84 C GLU A 6 -2.679 10.739 2.247 1.00 0.00 C ATOM 85 O GLU A 6 -2.381 9.565 1.985 1.00 0.00 O ATOM 86 CB GLU A 6 -5.147 11.380 2.566 1.00 0.00 C ATOM 87 CG GLU A 6 -5.591 9.990 3.056 1.00 0.00 C ATOM 88 CD GLU A 6 -6.795 10.028 4.009 1.00 0.00 C ATOM 89 OE1 GLU A 6 -6.626 10.439 5.179 1.00 0.00 O ATOM 90 OE2 GLU A 6 -7.909 9.630 3.606 1.00 0.00 O ATOM 0 H GLU A 6 -3.972 9.617 0.453 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.710 12.404 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.895 11.992 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.990 11.862 2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.841 9.373 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.754 9.508 3.561 1.00 0.00 H new ATOM 97 N PRO A 7 -1.890 11.502 3.073 1.00 0.00 N ATOM 98 CA PRO A 7 -0.745 10.924 3.817 1.00 0.00 C ATOM 99 C PRO A 7 -1.198 9.790 4.774 1.00 0.00 C ATOM 100 O PRO A 7 -1.800 10.047 5.822 1.00 0.00 O ATOM 101 CB PRO A 7 -0.146 12.144 4.581 1.00 0.00 C ATOM 102 CG PRO A 7 -1.242 13.170 4.598 1.00 0.00 C ATOM 103 CD PRO A 7 -2.006 12.969 3.310 1.00 0.00 C ATOM 0 HA PRO A 7 -0.012 10.448 3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.152 11.868 5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.744 12.525 4.080 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.891 13.036 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.834 14.179 4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.046 13.281 3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.574 13.545 2.491 1.00 0.00 H new ATOM 111 N GLY A 8 -0.957 8.531 4.357 1.00 0.00 N ATOM 112 CA GLY A 8 -1.247 7.344 5.180 1.00 0.00 C ATOM 113 C GLY A 8 -2.361 6.449 4.627 1.00 0.00 C ATOM 114 O GLY A 8 -2.567 5.343 5.140 1.00 0.00 O ATOM 0 H GLY A 8 -0.558 8.311 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.337 6.753 5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.523 7.670 6.183 1.00 0.00 H new ATOM 118 N HIS A 9 -3.072 6.914 3.572 1.00 0.00 N ATOM 119 CA HIS A 9 -4.234 6.185 3.001 1.00 0.00 C ATOM 120 C HIS A 9 -4.515 6.603 1.533 1.00 0.00 C ATOM 121 O HIS A 9 -4.213 7.719 1.121 1.00 0.00 O ATOM 122 CB HIS A 9 -5.481 6.414 3.903 1.00 0.00 C ATOM 123 CG HIS A 9 -6.786 5.892 3.361 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.764 6.717 2.856 1.00 0.00 N ATOM 125 CD2 HIS A 9 -7.276 4.633 3.262 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.792 5.999 2.478 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.529 4.726 2.711 1.00 0.00 N ATOM 0 H HIS A 9 -2.862 7.792 3.097 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.999 5.121 2.980 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.298 5.946 4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.585 7.484 4.082 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -7.699 7.733 2.787 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.774 3.725 3.561 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.704 6.384 2.047 1.00 0.00 H new ATOM 136 N LEU A 10 -5.090 5.664 0.761 1.00 0.00 N ATOM 137 CA LEU A 10 -5.518 5.847 -0.630 1.00 0.00 C ATOM 138 C LEU A 10 -6.860 5.108 -0.828 1.00 0.00 C ATOM 139 O LEU A 10 -7.072 4.035 -0.254 1.00 0.00 O ATOM 140 CB LEU A 10 -4.446 5.277 -1.606 1.00 0.00 C ATOM 141 CG LEU A 10 -4.830 5.270 -3.125 1.00 0.00 C ATOM 142 CD1 LEU A 10 -5.040 6.702 -3.669 1.00 0.00 C ATOM 143 CD2 LEU A 10 -3.789 4.494 -3.962 1.00 0.00 C ATOM 0 H LEU A 10 -5.275 4.722 1.106 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.640 6.909 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.531 5.857 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.218 4.255 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.783 4.749 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.305 6.655 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.843 7.188 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.120 7.275 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.083 4.507 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.811 4.964 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.737 3.463 -3.613 1.00 0.00 H new ATOM 155 N HIS A 11 -7.768 5.699 -1.620 1.00 0.00 N ATOM 156 CA HIS A 11 -9.043 5.067 -2.014 1.00 0.00 C ATOM 157 C HIS A 11 -9.010 4.753 -3.521 1.00 0.00 C ATOM 158 O HIS A 11 -8.520 5.563 -4.316 1.00 0.00 O ATOM 159 CB HIS A 11 -10.229 6.010 -1.663 1.00 0.00 C ATOM 160 CG HIS A 11 -11.619 5.458 -1.927 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.702 6.270 -2.155 1.00 0.00 N ATOM 162 CD2 HIS A 11 -12.106 4.188 -1.955 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.781 5.540 -2.304 1.00 0.00 C ATOM 164 NE2 HIS A 11 -13.451 4.272 -2.191 1.00 0.00 N ATOM 0 H HIS A 11 -7.641 6.633 -2.009 1.00 0.00 H new ATOM 0 HA HIS A 11 -9.181 4.134 -1.468 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -10.158 6.273 -0.607 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -10.113 6.934 -2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.536 3.281 -1.817 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.776 5.917 -2.489 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.092 3.482 -2.267 1.00 0.00 H new ATOM 173 N LEU A 12 -9.516 3.565 -3.896 1.00 0.00 N ATOM 174 CA LEU A 12 -9.627 3.121 -5.293 1.00 0.00 C ATOM 175 C LEU A 12 -11.108 2.889 -5.632 1.00 0.00 C ATOM 176 O LEU A 12 -11.821 2.194 -4.901 1.00 0.00 O ATOM 177 CB LEU A 12 -8.842 1.798 -5.542 1.00 0.00 C ATOM 178 CG LEU A 12 -7.323 1.791 -5.192 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.691 0.411 -5.508 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.574 2.924 -5.921 1.00 0.00 C ATOM 0 H LEU A 12 -9.864 2.878 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.199 3.898 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.324 1.007 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.947 1.537 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.227 1.970 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.631 0.430 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.190 -0.361 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.807 0.192 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.517 2.891 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.682 2.797 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.993 3.886 -5.626 1.00 0.00 H new ATOM 192 N VAL A 13 -11.557 3.527 -6.709 1.00 0.00 N ATOM 193 CA VAL A 13 -12.822 3.226 -7.409 1.00 0.00 C ATOM 194 C VAL A 13 -12.424 2.850 -8.852 1.00 0.00 C ATOM 195 O VAL A 13 -11.256 3.060 -9.239 1.00 0.00 O ATOM 196 CB VAL A 13 -13.799 4.473 -7.360 1.00 0.00 C ATOM 197 CG1 VAL A 13 -15.136 4.222 -8.103 1.00 0.00 C ATOM 198 CG2 VAL A 13 -14.066 4.887 -5.891 1.00 0.00 C ATOM 0 H VAL A 13 -11.041 4.294 -7.140 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.367 2.408 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.299 5.288 -7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.763 5.111 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.934 4.000 -9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.653 3.378 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.738 5.745 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.523 4.055 -5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.124 5.153 -5.411 1.00 0.00 H new ATOM 307 N GLN A 21 -16.720 -3.089 -13.400 1.00 0.00 N ATOM 308 CA GLN A 21 -17.788 -3.461 -12.440 1.00 0.00 C ATOM 309 C GLN A 21 -17.729 -2.580 -11.165 1.00 0.00 C ATOM 310 O GLN A 21 -16.898 -1.660 -11.066 1.00 0.00 O ATOM 311 CB GLN A 21 -17.714 -4.973 -12.097 1.00 0.00 C ATOM 312 CG GLN A 21 -16.463 -5.406 -11.311 1.00 0.00 C ATOM 313 CD GLN A 21 -16.436 -6.903 -10.988 1.00 0.00 C ATOM 314 OE1 GLN A 21 -17.470 -7.544 -10.814 1.00 0.00 O ATOM 315 NE2 GLN A 21 -15.255 -7.468 -10.930 1.00 0.00 N ATOM 0 HA GLN A 21 -18.752 -3.275 -12.914 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -18.598 -5.242 -11.519 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -17.755 -5.542 -13.026 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.574 -5.150 -11.888 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.413 -4.840 -10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.415 -6.909 -11.079 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.176 -8.466 -10.736 1.00 0.00 H new ATOM 324 N ASP A 22 -18.609 -2.869 -10.192 1.00 0.00 N ATOM 325 CA ASP A 22 -18.797 -2.015 -9.009 1.00 0.00 C ATOM 326 C ASP A 22 -17.710 -2.308 -7.948 1.00 0.00 C ATOM 327 O ASP A 22 -17.905 -3.125 -7.038 1.00 0.00 O ATOM 328 CB ASP A 22 -20.233 -2.205 -8.434 1.00 0.00 C ATOM 329 CG ASP A 22 -20.605 -1.116 -7.413 1.00 0.00 C ATOM 330 OD1 ASP A 22 -20.688 0.065 -7.814 1.00 0.00 O ATOM 331 OD2 ASP A 22 -20.777 -1.423 -6.209 1.00 0.00 O ATOM 0 H ASP A 22 -19.206 -3.696 -10.203 1.00 0.00 H new ATOM 0 HA ASP A 22 -18.690 -0.971 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.953 -2.194 -9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -20.305 -3.184 -7.960 1.00 0.00 H new ATOM 336 N ILE A 23 -16.540 -1.653 -8.109 1.00 0.00 N ATOM 337 CA ILE A 23 -15.356 -1.889 -7.244 1.00 0.00 C ATOM 338 C ILE A 23 -15.144 -0.702 -6.288 1.00 0.00 C ATOM 339 O ILE A 23 -15.433 0.457 -6.631 1.00 0.00 O ATOM 340 CB ILE A 23 -14.019 -2.200 -8.091 1.00 0.00 C ATOM 341 CG1 ILE A 23 -13.156 -0.921 -8.446 1.00 0.00 C ATOM 342 CG2 ILE A 23 -14.356 -2.994 -9.375 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.987 -0.626 -7.504 1.00 0.00 C ATOM 0 H ILE A 23 -16.387 -0.952 -8.834 1.00 0.00 H new ATOM 0 HA ILE A 23 -15.561 -2.783 -6.655 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.396 -2.806 -7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.764 -1.039 -9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.815 -0.053 -8.460 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.440 -3.193 -9.931 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -14.829 -3.938 -9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -15.037 -2.411 -9.995 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.466 0.270 -7.841 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.365 -0.468 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.297 -1.470 -7.506 1.00 0.00 H new ATOM 355 N ASN A 24 -14.664 -1.030 -5.081 1.00 0.00 N ATOM 356 CA ASN A 24 -14.123 -0.059 -4.122 1.00 0.00 C ATOM 357 C ASN A 24 -13.082 -0.775 -3.252 1.00 0.00 C ATOM 358 O ASN A 24 -13.276 -1.941 -2.858 1.00 0.00 O ATOM 359 CB ASN A 24 -15.231 0.597 -3.257 1.00 0.00 C ATOM 360 CG ASN A 24 -15.843 -0.337 -2.221 1.00 0.00 C ATOM 361 OD1 ASN A 24 -15.428 -0.353 -1.060 1.00 0.00 O ATOM 362 ND2 ASN A 24 -16.789 -1.153 -2.641 1.00 0.00 N ATOM 0 H ASN A 24 -14.640 -1.991 -4.739 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.654 0.759 -4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.813 1.465 -2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.021 0.963 -3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.204 -1.827 -1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.107 -1.110 -3.609 1.00 0.00 H new ATOM 369 N ILE A 25 -11.961 -0.089 -2.995 1.00 0.00 N ATOM 370 CA ILE A 25 -10.799 -0.649 -2.283 1.00 0.00 C ATOM 371 C ILE A 25 -10.218 0.455 -1.396 1.00 0.00 C ATOM 372 O ILE A 25 -10.106 1.606 -1.820 1.00 0.00 O ATOM 373 CB ILE A 25 -9.667 -1.148 -3.269 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.236 -2.133 -4.341 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.489 -1.800 -2.497 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.284 -2.462 -5.469 1.00 0.00 C ATOM 0 H ILE A 25 -11.831 0.882 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.135 -1.510 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.284 -0.270 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.524 -3.060 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.144 -1.702 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.729 -2.132 -3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.054 -1.071 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.855 -2.656 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.766 -3.151 -6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.014 -1.547 -5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.385 -2.926 -5.063 1.00 0.00 H new ATOM 388 N HIS A 26 -9.876 0.099 -0.168 1.00 0.00 N ATOM 389 CA HIS A 26 -9.204 0.986 0.787 1.00 0.00 C ATOM 390 C HIS A 26 -7.759 0.493 0.894 1.00 0.00 C ATOM 391 O HIS A 26 -7.548 -0.717 0.946 1.00 0.00 O ATOM 392 CB HIS A 26 -9.900 0.914 2.182 1.00 0.00 C ATOM 393 CG HIS A 26 -11.411 0.993 2.183 1.00 0.00 C ATOM 394 ND1 HIS A 26 -12.175 0.503 3.213 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.293 1.499 1.287 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.446 0.703 2.952 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.549 1.307 1.791 1.00 0.00 N ATOM 0 H HIS A 26 -10.059 -0.832 0.207 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.247 2.023 0.454 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.606 -0.019 2.663 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.515 1.726 2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -12.048 1.969 0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.271 0.418 3.588 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.420 1.586 1.340 1.00 0.00 H new ATOM 406 N ILE A 27 -6.775 1.403 0.887 1.00 0.00 N ATOM 407 CA ILE A 27 -5.352 1.049 1.064 1.00 0.00 C ATOM 408 C ILE A 27 -4.753 1.966 2.139 1.00 0.00 C ATOM 409 O ILE A 27 -4.571 3.157 1.916 1.00 0.00 O ATOM 410 CB ILE A 27 -4.506 1.182 -0.277 1.00 0.00 C ATOM 411 CG1 ILE A 27 -5.074 0.255 -1.410 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.995 0.881 -0.022 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.286 0.268 -2.720 1.00 0.00 C ATOM 0 H ILE A 27 -6.938 2.402 0.759 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.305 0.002 1.362 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.594 2.214 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.109 -0.768 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.101 0.553 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.442 0.980 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.602 1.587 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.886 -0.134 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.759 -0.404 -3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.272 1.279 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.264 -0.062 -2.533 1.00 0.00 H new ATOM 425 N ARG A 28 -4.475 1.399 3.306 1.00 0.00 N ATOM 426 CA ARG A 28 -3.701 2.054 4.363 1.00 0.00 C ATOM 427 C ARG A 28 -2.236 1.655 4.187 1.00 0.00 C ATOM 428 O ARG A 28 -1.943 0.488 3.931 1.00 0.00 O ATOM 429 CB ARG A 28 -4.219 1.620 5.764 1.00 0.00 C ATOM 430 CG ARG A 28 -5.654 2.088 6.078 1.00 0.00 C ATOM 431 CD ARG A 28 -6.213 1.503 7.391 1.00 0.00 C ATOM 432 NE ARG A 28 -5.381 1.847 8.566 1.00 0.00 N ATOM 433 CZ ARG A 28 -5.812 2.463 9.682 1.00 0.00 C ATOM 434 NH1 ARG A 28 -7.063 2.882 9.795 1.00 0.00 N ATOM 435 NH2 ARG A 28 -4.973 2.664 10.683 1.00 0.00 N ATOM 0 H ARG A 28 -4.783 0.458 3.552 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.807 3.137 4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.180 0.533 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.546 2.012 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.669 3.176 6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.309 1.805 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.226 1.873 7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.280 0.419 7.302 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.393 1.595 8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.720 2.740 9.028 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.370 3.347 10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.005 2.353 10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.294 3.130 11.532 1.00 0.00 H new ATOM 449 N TYR A 29 -1.334 2.626 4.278 1.00 0.00 N ATOM 450 CA TYR A 29 0.109 2.376 4.331 1.00 0.00 C ATOM 451 C TYR A 29 0.651 3.157 5.531 1.00 0.00 C ATOM 452 O TYR A 29 0.536 4.388 5.592 1.00 0.00 O ATOM 453 CB TYR A 29 0.803 2.751 2.984 1.00 0.00 C ATOM 454 CG TYR A 29 0.653 4.214 2.522 1.00 0.00 C ATOM 455 CD1 TYR A 29 -0.501 4.660 1.865 1.00 0.00 C ATOM 456 CD2 TYR A 29 1.664 5.150 2.760 1.00 0.00 C ATOM 457 CE1 TYR A 29 -0.634 5.978 1.469 1.00 0.00 C ATOM 458 CE2 TYR A 29 1.527 6.464 2.374 1.00 0.00 C ATOM 459 CZ TYR A 29 0.382 6.873 1.730 1.00 0.00 C ATOM 460 OH TYR A 29 0.249 8.193 1.367 1.00 0.00 O ATOM 0 H TYR A 29 -1.580 3.615 4.318 1.00 0.00 H new ATOM 0 HA TYR A 29 0.323 1.316 4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.866 2.528 3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.406 2.103 2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.301 3.962 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.570 4.836 3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.528 6.304 0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.317 7.173 2.576 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.197 8.249 0.496 1.00 0.00 H new ATOM 470 N GLU A 30 1.193 2.426 6.510 1.00 0.00 N ATOM 471 CA GLU A 30 1.598 2.981 7.809 1.00 0.00 C ATOM 472 C GLU A 30 3.001 2.485 8.159 1.00 0.00 C ATOM 473 O GLU A 30 3.209 1.275 8.320 1.00 0.00 O ATOM 474 CB GLU A 30 0.572 2.553 8.895 1.00 0.00 C ATOM 475 CG GLU A 30 -0.877 2.992 8.594 1.00 0.00 C ATOM 476 CD GLU A 30 -1.879 2.535 9.651 1.00 0.00 C ATOM 477 OE1 GLU A 30 -2.061 3.242 10.666 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.495 1.467 9.484 1.00 0.00 O ATOM 0 H GLU A 30 1.365 1.424 6.424 1.00 0.00 H new ATOM 0 HA GLU A 30 1.618 4.070 7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.599 1.468 8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.877 2.972 9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.911 4.079 8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.176 2.594 7.624 1.00 0.00 H new ATOM 485 N VAL A 31 3.960 3.420 8.272 1.00 0.00 N ATOM 486 CA VAL A 31 5.354 3.083 8.556 1.00 0.00 C ATOM 487 C VAL A 31 5.515 2.821 10.064 1.00 0.00 C ATOM 488 O VAL A 31 5.320 3.721 10.889 1.00 0.00 O ATOM 489 CB VAL A 31 6.333 4.227 8.090 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.822 3.850 8.321 1.00 0.00 C ATOM 491 CG2 VAL A 31 6.075 4.598 6.609 1.00 0.00 C ATOM 0 H VAL A 31 3.787 4.420 8.169 1.00 0.00 H new ATOM 0 HA VAL A 31 5.614 2.185 7.996 1.00 0.00 H new ATOM 0 HB VAL A 31 6.128 5.103 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.461 4.667 7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.991 3.670 9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.061 2.948 7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.761 5.389 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.234 3.721 5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.048 4.945 6.494 1.00 0.00 H new ATOM 501 N ARG A 32 5.860 1.579 10.390 1.00 0.00 N ATOM 502 CA ARG A 32 6.148 1.128 11.755 1.00 0.00 C ATOM 503 C ARG A 32 7.589 0.583 11.772 1.00 0.00 C ATOM 504 O ARG A 32 8.153 0.299 10.714 1.00 0.00 O ATOM 505 CB ARG A 32 5.135 0.021 12.172 1.00 0.00 C ATOM 506 CG ARG A 32 5.283 -0.482 13.635 1.00 0.00 C ATOM 507 CD ARG A 32 4.743 -1.900 13.825 1.00 0.00 C ATOM 508 NE ARG A 32 5.037 -2.447 15.163 1.00 0.00 N ATOM 509 CZ ARG A 32 5.377 -3.729 15.417 1.00 0.00 C ATOM 510 NH1 ARG A 32 5.503 -4.611 14.426 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.618 -4.109 16.659 1.00 0.00 N ATOM 0 H ARG A 32 5.950 0.836 9.697 1.00 0.00 H new ATOM 0 HA ARG A 32 6.052 1.951 12.464 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.124 0.404 12.035 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.248 -0.828 11.498 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.335 -0.456 13.920 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.755 0.197 14.304 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.665 -1.898 13.667 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.175 -2.553 13.067 1.00 0.00 H new ATOM 0 HE ARG A 32 4.979 -1.809 15.956 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.342 -4.321 13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.760 -5.576 14.632 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.547 -3.435 17.421 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.875 -5.076 16.856 1.00 0.00 H new ATOM 525 N GLN A 33 8.195 0.450 12.958 1.00 0.00 N ATOM 526 CA GLN A 33 9.562 -0.068 13.095 1.00 0.00 C ATOM 527 C GLN A 33 9.536 -1.500 13.664 1.00 0.00 C ATOM 528 O GLN A 33 8.915 -1.751 14.702 1.00 0.00 O ATOM 529 CB GLN A 33 10.415 0.868 14.002 1.00 0.00 C ATOM 530 CG GLN A 33 10.379 2.374 13.643 1.00 0.00 C ATOM 531 CD GLN A 33 10.883 2.707 12.234 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.079 2.897 12.021 1.00 0.00 O ATOM 533 NE2 GLN A 33 9.974 2.822 11.273 1.00 0.00 N ATOM 0 H GLN A 33 7.755 0.697 13.845 1.00 0.00 H new ATOM 0 HA GLN A 33 10.023 -0.096 12.108 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.076 0.752 15.032 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.451 0.531 13.967 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.355 2.733 13.742 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.981 2.921 14.369 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.989 2.658 11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.261 3.074 10.327 1.00 0.00 H new ATOM 542 N ASN A 34 10.170 -2.439 12.936 1.00 0.00 N ATOM 543 CA ASN A 34 10.476 -3.796 13.429 1.00 0.00 C ATOM 544 C ASN A 34 11.909 -3.799 13.985 1.00 0.00 C ATOM 545 O ASN A 34 12.787 -3.118 13.441 1.00 0.00 O ATOM 546 CB ASN A 34 10.304 -4.866 12.295 1.00 0.00 C ATOM 547 CG ASN A 34 11.320 -4.768 11.148 1.00 0.00 C ATOM 548 OD1 ASN A 34 12.239 -5.567 11.052 1.00 0.00 O ATOM 549 ND2 ASN A 34 11.193 -3.770 10.302 1.00 0.00 N ATOM 0 H ASN A 34 10.487 -2.276 11.980 1.00 0.00 H new ATOM 0 HA ASN A 34 9.776 -4.064 14.220 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.376 -5.859 12.739 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.300 -4.775 11.880 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.869 -3.652 9.548 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.418 -3.114 10.400 1.00 0.00 H new ATOM 556 N ALA A 35 12.143 -4.566 15.061 1.00 0.00 N ATOM 557 CA ALA A 35 13.458 -4.637 15.745 1.00 0.00 C ATOM 558 C ALA A 35 14.522 -5.369 14.888 1.00 0.00 C ATOM 559 O ALA A 35 15.718 -5.309 15.187 1.00 0.00 O ATOM 560 CB ALA A 35 13.288 -5.324 17.112 1.00 0.00 C ATOM 0 H ALA A 35 11.430 -5.158 15.487 1.00 0.00 H new ATOM 0 HA ALA A 35 13.820 -3.620 15.892 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.253 -5.377 17.615 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.591 -4.751 17.723 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.899 -6.332 16.967 1.00 0.00 H new ATOM 566 N GLU A 36 14.060 -6.046 13.824 1.00 0.00 N ATOM 567 CA GLU A 36 14.901 -6.869 12.946 1.00 0.00 C ATOM 568 C GLU A 36 15.691 -6.020 11.914 1.00 0.00 C ATOM 569 O GLU A 36 16.913 -6.156 11.796 1.00 0.00 O ATOM 570 CB GLU A 36 14.001 -7.930 12.253 1.00 0.00 C ATOM 571 CG GLU A 36 14.702 -8.799 11.197 1.00 0.00 C ATOM 572 CD GLU A 36 13.786 -9.877 10.602 1.00 0.00 C ATOM 573 OE1 GLU A 36 13.614 -10.942 11.232 1.00 0.00 O ATOM 574 OE2 GLU A 36 13.208 -9.656 9.522 1.00 0.00 O ATOM 0 H GLU A 36 13.078 -6.035 13.548 1.00 0.00 H new ATOM 0 HA GLU A 36 15.658 -7.369 13.550 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.584 -8.584 13.019 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.163 -7.418 11.780 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.070 -8.160 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.572 -9.277 11.647 1.00 0.00 H new ATOM 581 N SER A 37 14.992 -5.122 11.204 1.00 0.00 N ATOM 582 CA SER A 37 15.538 -4.390 10.035 1.00 0.00 C ATOM 583 C SER A 37 15.320 -2.869 10.167 1.00 0.00 C ATOM 584 O SER A 37 15.786 -2.096 9.321 1.00 0.00 O ATOM 585 CB SER A 37 14.860 -4.918 8.742 1.00 0.00 C ATOM 586 OG SER A 37 15.398 -4.315 7.572 1.00 0.00 O ATOM 0 H SER A 37 14.026 -4.877 11.420 1.00 0.00 H new ATOM 0 HA SER A 37 16.613 -4.564 9.989 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.986 -5.999 8.683 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.789 -4.724 8.790 1.00 0.00 H new ATOM 0 HG SER A 37 15.777 -3.440 7.800 1.00 0.00 H new ATOM 592 N GLY A 38 14.608 -2.444 11.222 1.00 0.00 N ATOM 593 CA GLY A 38 14.312 -1.028 11.440 1.00 0.00 C ATOM 594 C GLY A 38 12.977 -0.642 10.825 1.00 0.00 C ATOM 595 O GLY A 38 11.948 -1.192 11.202 1.00 0.00 O ATOM 0 H GLY A 38 14.228 -3.065 11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.296 -0.818 12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.104 -0.418 11.007 1.00 0.00 H new ATOM 599 N ALA A 39 12.998 0.282 9.861 1.00 0.00 N ATOM 600 CA ALA A 39 11.777 0.802 9.219 1.00 0.00 C ATOM 601 C ALA A 39 11.119 -0.236 8.280 1.00 0.00 C ATOM 602 O ALA A 39 11.810 -0.948 7.543 1.00 0.00 O ATOM 603 CB ALA A 39 12.091 2.104 8.452 1.00 0.00 C ATOM 0 H ALA A 39 13.859 0.694 9.500 1.00 0.00 H new ATOM 0 HA ALA A 39 11.059 1.015 10.011 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.181 2.478 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.475 2.852 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.839 1.903 7.685 1.00 0.00 H new ATOM 609 N TYR A 40 9.779 -0.313 8.346 1.00 0.00 N ATOM 610 CA TYR A 40 8.944 -1.093 7.406 1.00 0.00 C ATOM 611 C TYR A 40 7.545 -0.455 7.327 1.00 0.00 C ATOM 612 O TYR A 40 7.236 0.452 8.097 1.00 0.00 O ATOM 613 CB TYR A 40 8.874 -2.606 7.808 1.00 0.00 C ATOM 614 CG TYR A 40 7.796 -3.008 8.834 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.986 -2.825 10.203 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.594 -3.606 8.423 1.00 0.00 C ATOM 617 CE1 TYR A 40 7.028 -3.210 11.115 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.637 -3.977 9.333 1.00 0.00 C ATOM 619 CZ TYR A 40 5.858 -3.789 10.673 1.00 0.00 C ATOM 620 OH TYR A 40 4.907 -4.196 11.577 1.00 0.00 O ATOM 0 H TYR A 40 9.235 0.169 9.061 1.00 0.00 H new ATOM 0 HA TYR A 40 9.402 -1.065 6.417 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.714 -3.190 6.902 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.846 -2.896 8.207 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.901 -2.373 10.555 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.420 -3.777 7.371 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.193 -3.059 12.172 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.711 -4.417 8.994 1.00 0.00 H new ATOM 0 HH TYR A 40 4.318 -4.857 11.157 1.00 0.00 H new ATOM 630 N VAL A 41 6.711 -0.920 6.386 1.00 0.00 N ATOM 631 CA VAL A 41 5.315 -0.461 6.255 1.00 0.00 C ATOM 632 C VAL A 41 4.355 -1.643 6.403 1.00 0.00 C ATOM 633 O VAL A 41 4.512 -2.671 5.729 1.00 0.00 O ATOM 634 CB VAL A 41 5.034 0.235 4.875 1.00 0.00 C ATOM 635 CG1 VAL A 41 3.613 0.842 4.819 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.084 1.298 4.551 1.00 0.00 C ATOM 0 H VAL A 41 6.980 -1.621 5.696 1.00 0.00 H new ATOM 0 HA VAL A 41 5.155 0.271 7.047 1.00 0.00 H new ATOM 0 HB VAL A 41 5.098 -0.543 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.457 1.314 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.874 0.053 4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.504 1.587 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.854 1.756 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.079 2.063 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.069 0.834 4.506 1.00 0.00 H new ATOM 646 N HIS A 42 3.378 -1.491 7.304 1.00 0.00 N ATOM 647 CA HIS A 42 2.228 -2.385 7.388 1.00 0.00 C ATOM 648 C HIS A 42 1.148 -1.822 6.454 1.00 0.00 C ATOM 649 O HIS A 42 0.581 -0.754 6.732 1.00 0.00 O ATOM 650 CB HIS A 42 1.707 -2.484 8.856 1.00 0.00 C ATOM 651 CG HIS A 42 0.657 -3.559 9.080 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.845 -4.627 9.937 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.595 -3.724 8.564 1.00 0.00 C ATOM 654 CE1 HIS A 42 -0.227 -5.391 9.934 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.112 -4.867 9.111 1.00 0.00 N ATOM 0 H HIS A 42 3.367 -0.741 7.995 1.00 0.00 H new ATOM 0 HA HIS A 42 2.503 -3.395 7.085 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.553 -2.677 9.516 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.289 -1.520 9.146 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.686 -4.797 10.488 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.087 -3.074 7.856 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.359 -6.295 10.510 1.00 0.00 H new ATOM 664 N PHE A 43 0.904 -2.503 5.326 1.00 0.00 N ATOM 665 CA PHE A 43 -0.163 -2.136 4.388 1.00 0.00 C ATOM 666 C PHE A 43 -1.419 -2.963 4.728 1.00 0.00 C ATOM 667 O PHE A 43 -1.323 -4.174 4.972 1.00 0.00 O ATOM 668 CB PHE A 43 0.253 -2.427 2.924 1.00 0.00 C ATOM 669 CG PHE A 43 1.556 -1.765 2.448 1.00 0.00 C ATOM 670 CD1 PHE A 43 2.792 -2.401 2.624 1.00 0.00 C ATOM 671 CD2 PHE A 43 1.542 -0.542 1.779 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.959 -1.832 2.157 1.00 0.00 C ATOM 673 CE2 PHE A 43 2.715 0.024 1.309 1.00 0.00 C ATOM 674 CZ PHE A 43 3.922 -0.620 1.498 1.00 0.00 C ATOM 0 H PHE A 43 1.440 -3.322 5.039 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.361 -1.068 4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.352 -3.506 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.555 -2.106 2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.832 -3.352 3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.604 -0.029 1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.902 -2.336 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.686 0.972 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.835 -0.176 1.131 1.00 0.00 H new ATOM 684 N ASP A 44 -2.574 -2.303 4.748 1.00 0.00 N ATOM 685 CA ASP A 44 -3.884 -2.925 5.015 1.00 0.00 C ATOM 686 C ASP A 44 -4.833 -2.579 3.860 1.00 0.00 C ATOM 687 O ASP A 44 -4.839 -1.439 3.412 1.00 0.00 O ATOM 688 CB ASP A 44 -4.420 -2.379 6.362 1.00 0.00 C ATOM 689 CG ASP A 44 -5.834 -2.869 6.712 1.00 0.00 C ATOM 690 OD1 ASP A 44 -5.971 -4.020 7.167 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.810 -2.106 6.539 1.00 0.00 O ATOM 0 H ASP A 44 -2.635 -1.299 4.576 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.801 -4.010 5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.737 -2.671 7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.422 -1.290 6.327 1.00 0.00 H new ATOM 696 N MET A 45 -5.614 -3.557 3.354 1.00 0.00 N ATOM 697 CA MET A 45 -6.544 -3.341 2.217 1.00 0.00 C ATOM 698 C MET A 45 -7.902 -4.015 2.495 1.00 0.00 C ATOM 699 O MET A 45 -7.935 -5.190 2.855 1.00 0.00 O ATOM 700 CB MET A 45 -5.932 -3.912 0.896 1.00 0.00 C ATOM 701 CG MET A 45 -4.614 -3.250 0.445 1.00 0.00 C ATOM 702 SD MET A 45 -3.960 -3.954 -1.088 1.00 0.00 S ATOM 703 CE MET A 45 -5.282 -3.600 -2.245 1.00 0.00 C ATOM 0 H MET A 45 -5.621 -4.511 3.715 1.00 0.00 H new ATOM 0 HA MET A 45 -6.699 -2.268 2.102 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.758 -4.980 1.027 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.666 -3.804 0.098 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.779 -2.181 0.307 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.870 -3.358 1.235 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.857 -3.277 -3.195 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.879 -4.498 -2.401 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.915 -2.809 -1.843 1.00 0.00 H new ATOM 713 N ASP A 46 -9.020 -3.280 2.297 1.00 0.00 N ATOM 714 CA ASP A 46 -10.390 -3.813 2.543 1.00 0.00 C ATOM 715 C ASP A 46 -11.449 -3.060 1.709 1.00 0.00 C ATOM 716 O ASP A 46 -11.191 -1.979 1.200 1.00 0.00 O ATOM 717 CB ASP A 46 -10.753 -3.744 4.060 1.00 0.00 C ATOM 718 CG ASP A 46 -10.991 -2.311 4.577 1.00 0.00 C ATOM 719 OD1 ASP A 46 -10.023 -1.538 4.694 1.00 0.00 O ATOM 720 OD2 ASP A 46 -12.148 -1.947 4.878 1.00 0.00 O ATOM 0 H ASP A 46 -9.006 -2.315 1.967 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.391 -4.857 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.650 -4.338 4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.949 -4.200 4.638 1.00 0.00 H new ATOM 725 N GLY A 47 -12.632 -3.670 1.561 1.00 0.00 N ATOM 726 CA GLY A 47 -13.784 -3.054 0.872 1.00 0.00 C ATOM 727 C GLY A 47 -14.757 -4.127 0.421 1.00 0.00 C ATOM 728 O GLY A 47 -14.818 -5.187 1.055 1.00 0.00 O ATOM 0 H GLY A 47 -12.822 -4.607 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.286 -2.355 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.439 -2.480 0.012 1.00 0.00 H new ATOM 732 N GLU A 48 -15.509 -3.885 -0.677 1.00 0.00 N ATOM 733 CA GLU A 48 -16.344 -4.927 -1.298 1.00 0.00 C ATOM 734 C GLU A 48 -16.456 -4.716 -2.826 1.00 0.00 C ATOM 735 O GLU A 48 -17.046 -3.748 -3.311 1.00 0.00 O ATOM 736 CB GLU A 48 -17.760 -5.031 -0.643 1.00 0.00 C ATOM 737 CG GLU A 48 -18.612 -3.737 -0.596 1.00 0.00 C ATOM 738 CD GLU A 48 -18.230 -2.773 0.544 1.00 0.00 C ATOM 739 OE1 GLU A 48 -18.770 -2.908 1.660 1.00 0.00 O ATOM 740 OE2 GLU A 48 -17.389 -1.887 0.333 1.00 0.00 O ATOM 0 H GLU A 48 -15.552 -2.980 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.842 -5.877 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.327 -5.790 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.635 -5.391 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -18.513 -3.215 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -19.662 -4.010 -0.490 1.00 0.00 H new ATOM 747 N ILE A 49 -15.834 -5.632 -3.575 1.00 0.00 N ATOM 748 CA ILE A 49 -15.890 -5.607 -5.063 1.00 0.00 C ATOM 749 C ILE A 49 -16.965 -6.568 -5.578 1.00 0.00 C ATOM 750 O ILE A 49 -16.951 -7.749 -5.239 1.00 0.00 O ATOM 751 CB ILE A 49 -14.502 -5.963 -5.699 1.00 0.00 C ATOM 752 CG1 ILE A 49 -13.395 -4.973 -5.195 1.00 0.00 C ATOM 753 CG2 ILE A 49 -14.587 -5.966 -7.253 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.989 -5.315 -5.641 1.00 0.00 C ATOM 0 H ILE A 49 -15.286 -6.401 -3.190 1.00 0.00 H new ATOM 0 HA ILE A 49 -16.147 -4.591 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.227 -6.968 -5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.638 -3.969 -5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.420 -4.946 -4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.611 -6.216 -7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -15.320 -6.705 -7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.889 -4.979 -7.603 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.292 -4.576 -5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.720 -6.304 -5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.942 -5.312 -6.730 1.00 0.00 H new ATOM 766 N ASP A 50 -17.886 -6.014 -6.404 1.00 0.00 N ATOM 767 CA ASP A 50 -19.121 -6.684 -6.875 1.00 0.00 C ATOM 768 C ASP A 50 -20.043 -6.993 -5.664 1.00 0.00 C ATOM 769 O ASP A 50 -20.892 -7.887 -5.706 1.00 0.00 O ATOM 770 CB ASP A 50 -18.772 -7.955 -7.735 1.00 0.00 C ATOM 771 CG ASP A 50 -19.965 -8.567 -8.502 1.00 0.00 C ATOM 772 OD1 ASP A 50 -20.802 -7.807 -9.031 1.00 0.00 O ATOM 773 OD2 ASP A 50 -20.040 -9.810 -8.630 1.00 0.00 O ATOM 0 H ASP A 50 -17.787 -5.067 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.675 -6.018 -7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.995 -7.689 -8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.352 -8.716 -7.078 1.00 0.00 H new ATOM 778 N GLY A 51 -19.877 -6.185 -4.588 1.00 0.00 N ATOM 779 CA GLY A 51 -20.598 -6.372 -3.326 1.00 0.00 C ATOM 780 C GLY A 51 -19.978 -7.441 -2.429 1.00 0.00 C ATOM 781 O GLY A 51 -20.536 -7.760 -1.376 1.00 0.00 O ATOM 0 H GLY A 51 -19.238 -5.390 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.624 -5.425 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.631 -6.644 -3.543 1.00 0.00 H new ATOM 785 N LYS A 52 -18.827 -8.001 -2.849 1.00 0.00 N ATOM 786 CA LYS A 52 -18.139 -9.096 -2.141 1.00 0.00 C ATOM 787 C LYS A 52 -17.049 -8.564 -1.189 1.00 0.00 C ATOM 788 O LYS A 52 -16.025 -8.056 -1.661 1.00 0.00 O ATOM 789 CB LYS A 52 -17.542 -10.056 -3.194 1.00 0.00 C ATOM 790 CG LYS A 52 -18.615 -10.655 -4.141 1.00 0.00 C ATOM 791 CD LYS A 52 -18.014 -11.373 -5.364 1.00 0.00 C ATOM 792 CE LYS A 52 -19.092 -11.915 -6.316 1.00 0.00 C ATOM 793 NZ LYS A 52 -18.515 -12.351 -7.614 1.00 0.00 N ATOM 0 H LYS A 52 -18.345 -7.703 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.856 -9.630 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.799 -9.521 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.020 -10.867 -2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -19.231 -11.359 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.274 -9.857 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.369 -10.682 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.385 -12.197 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.603 -12.755 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.842 -11.144 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.797 -11.684 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.478 -12.373 -7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.866 -13.302 -7.848 1.00 0.00 H new ATOM 807 N PRO A 53 -17.252 -8.670 0.166 1.00 0.00 N ATOM 808 CA PRO A 53 -16.316 -8.104 1.165 1.00 0.00 C ATOM 809 C PRO A 53 -14.971 -8.861 1.199 1.00 0.00 C ATOM 810 O PRO A 53 -14.938 -10.093 1.074 1.00 0.00 O ATOM 811 CB PRO A 53 -17.093 -8.250 2.500 1.00 0.00 C ATOM 812 CG PRO A 53 -17.984 -9.433 2.285 1.00 0.00 C ATOM 813 CD PRO A 53 -18.397 -9.366 0.829 1.00 0.00 C ATOM 0 HA PRO A 53 -16.037 -7.074 0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.415 -8.410 3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.671 -7.353 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.460 -10.364 2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.853 -9.395 2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.556 -10.360 0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.328 -8.814 0.702 1.00 0.00 H new ATOM 821 N PHE A 54 -13.872 -8.113 1.355 1.00 0.00 N ATOM 822 CA PHE A 54 -12.515 -8.683 1.446 1.00 0.00 C ATOM 823 C PHE A 54 -11.690 -7.909 2.484 1.00 0.00 C ATOM 824 O PHE A 54 -11.872 -6.698 2.648 1.00 0.00 O ATOM 825 CB PHE A 54 -11.808 -8.684 0.052 1.00 0.00 C ATOM 826 CG PHE A 54 -11.461 -7.305 -0.535 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.422 -6.543 -1.199 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.162 -6.782 -0.430 1.00 0.00 C ATOM 829 CE1 PHE A 54 -12.102 -5.308 -1.733 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.848 -5.548 -0.964 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.818 -4.810 -1.615 1.00 0.00 C ATOM 0 H PHE A 54 -13.894 -7.095 1.422 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.596 -9.721 1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.888 -9.262 0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.450 -9.207 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.429 -6.922 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.398 -7.353 0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.858 -4.731 -2.244 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.844 -5.160 -0.873 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.573 -3.844 -2.032 1.00 0.00 H new ATOM 841 N SER A 55 -10.807 -8.629 3.188 1.00 0.00 N ATOM 842 CA SER A 55 -9.833 -8.046 4.115 1.00 0.00 C ATOM 843 C SER A 55 -8.500 -8.806 3.969 1.00 0.00 C ATOM 844 O SER A 55 -8.422 -10.004 4.266 1.00 0.00 O ATOM 845 CB SER A 55 -10.380 -8.105 5.564 1.00 0.00 C ATOM 846 OG SER A 55 -10.756 -9.427 5.931 1.00 0.00 O ATOM 0 H SER A 55 -10.750 -9.646 3.128 1.00 0.00 H new ATOM 0 HA SER A 55 -9.660 -6.996 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.621 -7.738 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.241 -7.443 5.655 1.00 0.00 H new ATOM 0 HG SER A 55 -10.129 -10.067 5.535 1.00 0.00 H new ATOM 852 N ASP A 56 -7.465 -8.097 3.499 1.00 0.00 N ATOM 853 CA ASP A 56 -6.142 -8.677 3.182 1.00 0.00 C ATOM 854 C ASP A 56 -5.059 -7.631 3.506 1.00 0.00 C ATOM 855 O ASP A 56 -5.325 -6.426 3.458 1.00 0.00 O ATOM 856 CB ASP A 56 -6.089 -9.096 1.685 1.00 0.00 C ATOM 857 CG ASP A 56 -4.860 -9.957 1.322 1.00 0.00 C ATOM 858 OD1 ASP A 56 -3.762 -9.403 1.115 1.00 0.00 O ATOM 859 OD2 ASP A 56 -4.987 -11.198 1.240 1.00 0.00 O ATOM 0 H ASP A 56 -7.518 -7.093 3.324 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.967 -9.571 3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.995 -9.651 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.088 -8.199 1.066 1.00 0.00 H new ATOM 864 N SER A 57 -3.844 -8.092 3.835 1.00 0.00 N ATOM 865 CA SER A 57 -2.732 -7.213 4.249 1.00 0.00 C ATOM 866 C SER A 57 -1.373 -7.787 3.804 1.00 0.00 C ATOM 867 O SER A 57 -1.237 -8.997 3.575 1.00 0.00 O ATOM 868 CB SER A 57 -2.754 -7.019 5.788 1.00 0.00 C ATOM 869 OG SER A 57 -3.970 -6.429 6.229 1.00 0.00 O ATOM 0 H SER A 57 -3.601 -9.083 3.823 1.00 0.00 H new ATOM 0 HA SER A 57 -2.864 -6.246 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.620 -7.983 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.916 -6.390 6.087 1.00 0.00 H new ATOM 0 HG SER A 57 -3.948 -6.324 7.203 1.00 0.00 H new ATOM 875 N PHE A 58 -0.377 -6.892 3.664 1.00 0.00 N ATOM 876 CA PHE A 58 1.027 -7.258 3.390 1.00 0.00 C ATOM 877 C PHE A 58 1.971 -6.267 4.088 1.00 0.00 C ATOM 878 O PHE A 58 1.639 -5.096 4.242 1.00 0.00 O ATOM 879 CB PHE A 58 1.310 -7.332 1.860 1.00 0.00 C ATOM 880 CG PHE A 58 0.980 -6.070 1.042 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.334 -5.785 0.660 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.984 -5.190 0.628 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.632 -4.668 -0.098 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.682 -4.074 -0.137 1.00 0.00 C ATOM 885 CZ PHE A 58 0.375 -3.814 -0.499 1.00 0.00 C ATOM 0 H PHE A 58 -0.525 -5.886 3.738 1.00 0.00 H new ATOM 0 HA PHE A 58 1.209 -8.254 3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.365 -7.565 1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.742 -8.165 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.130 -6.449 0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.009 -5.382 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.655 -4.463 -0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.471 -3.406 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.141 -2.944 -1.095 1.00 0.00 H new ATOM 895 N GLU A 59 3.138 -6.756 4.521 1.00 0.00 N ATOM 896 CA GLU A 59 4.155 -5.954 5.235 1.00 0.00 C ATOM 897 C GLU A 59 5.494 -6.062 4.497 1.00 0.00 C ATOM 898 O GLU A 59 5.962 -7.173 4.209 1.00 0.00 O ATOM 899 CB GLU A 59 4.284 -6.438 6.708 1.00 0.00 C ATOM 900 CG GLU A 59 3.004 -6.229 7.540 1.00 0.00 C ATOM 901 CD GLU A 59 3.041 -6.899 8.926 1.00 0.00 C ATOM 902 OE1 GLU A 59 2.724 -8.104 9.021 1.00 0.00 O ATOM 903 OE2 GLU A 59 3.370 -6.227 9.925 1.00 0.00 O ATOM 0 H GLU A 59 3.412 -7.729 4.387 1.00 0.00 H new ATOM 0 HA GLU A 59 3.850 -4.908 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.541 -7.497 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.108 -5.908 7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.838 -5.160 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.153 -6.619 6.982 1.00 0.00 H new ATOM 910 N LEU A 60 6.095 -4.904 4.194 1.00 0.00 N ATOM 911 CA LEU A 60 7.320 -4.802 3.387 1.00 0.00 C ATOM 912 C LEU A 60 8.345 -3.924 4.126 1.00 0.00 C ATOM 913 O LEU A 60 8.019 -2.781 4.467 1.00 0.00 O ATOM 914 CB LEU A 60 6.985 -4.182 2.001 1.00 0.00 C ATOM 915 CG LEU A 60 6.089 -5.045 1.056 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.645 -4.249 -0.188 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.814 -6.346 0.646 1.00 0.00 C ATOM 0 H LEU A 60 5.740 -4.000 4.506 1.00 0.00 H new ATOM 0 HA LEU A 60 7.742 -5.795 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.488 -3.226 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.922 -3.970 1.485 1.00 0.00 H new ATOM 0 HG LEU A 60 5.191 -5.314 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.024 -4.881 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.073 -3.375 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.524 -3.927 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.170 -6.930 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.738 -6.098 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.047 -6.929 1.537 1.00 0.00 H new ATOM 929 N PRO A 61 9.591 -4.438 4.398 1.00 0.00 N ATOM 930 CA PRO A 61 10.695 -3.617 4.961 1.00 0.00 C ATOM 931 C PRO A 61 11.127 -2.488 4.005 1.00 0.00 C ATOM 932 O PRO A 61 10.765 -2.499 2.832 1.00 0.00 O ATOM 933 CB PRO A 61 11.826 -4.656 5.208 1.00 0.00 C ATOM 934 CG PRO A 61 11.528 -5.764 4.247 1.00 0.00 C ATOM 935 CD PRO A 61 10.019 -5.856 4.207 1.00 0.00 C ATOM 0 HA PRO A 61 10.408 -3.089 5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.810 -4.224 5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.821 -5.011 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.936 -5.550 3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.972 -6.703 4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.664 -6.260 3.259 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.633 -6.504 4.994 1.00 0.00 H new ATOM 943 N ARG A 62 11.880 -1.509 4.545 1.00 0.00 N ATOM 944 CA ARG A 62 12.428 -0.346 3.793 1.00 0.00 C ATOM 945 C ARG A 62 13.057 -0.726 2.421 1.00 0.00 C ATOM 946 O ARG A 62 12.949 0.033 1.448 1.00 0.00 O ATOM 947 CB ARG A 62 13.476 0.380 4.681 1.00 0.00 C ATOM 948 CG ARG A 62 14.095 1.647 4.053 1.00 0.00 C ATOM 949 CD ARG A 62 15.164 2.306 4.938 1.00 0.00 C ATOM 950 NE ARG A 62 15.769 3.472 4.269 1.00 0.00 N ATOM 951 CZ ARG A 62 17.084 3.736 4.186 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.980 2.953 4.769 1.00 0.00 N ATOM 953 NH2 ARG A 62 17.494 4.788 3.502 1.00 0.00 N ATOM 0 H ARG A 62 12.133 -1.498 5.533 1.00 0.00 H new ATOM 0 HA ARG A 62 11.590 0.312 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.004 0.654 5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.278 -0.320 4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.539 1.388 3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.303 2.369 3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.716 2.617 5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.940 1.579 5.178 1.00 0.00 H new ATOM 0 HE ARG A 62 15.133 4.138 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.676 2.132 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.974 3.171 4.694 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.814 5.393 3.041 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.490 4.995 3.434 1.00 0.00 H new ATOM 967 N ASP A 63 13.665 -1.920 2.357 1.00 0.00 N ATOM 968 CA ASP A 63 14.347 -2.421 1.148 1.00 0.00 C ATOM 969 C ASP A 63 13.336 -2.796 0.039 1.00 0.00 C ATOM 970 O ASP A 63 13.585 -2.541 -1.141 1.00 0.00 O ATOM 971 CB ASP A 63 15.222 -3.649 1.514 1.00 0.00 C ATOM 972 CG ASP A 63 16.033 -4.214 0.328 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.054 -3.602 -0.054 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.656 -5.267 -0.230 1.00 0.00 O ATOM 0 H ASP A 63 13.699 -2.569 3.143 1.00 0.00 H new ATOM 0 HA ASP A 63 14.981 -1.624 0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.910 -3.368 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.580 -4.436 1.910 1.00 0.00 H new ATOM 979 N THR A 64 12.175 -3.353 0.430 1.00 0.00 N ATOM 980 CA THR A 64 11.191 -3.942 -0.513 1.00 0.00 C ATOM 981 C THR A 64 9.843 -3.197 -0.436 1.00 0.00 C ATOM 982 O THR A 64 8.856 -3.649 -1.018 1.00 0.00 O ATOM 983 CB THR A 64 10.965 -5.463 -0.215 1.00 0.00 C ATOM 984 OG1 THR A 64 10.474 -5.621 1.116 1.00 0.00 O ATOM 985 CG2 THR A 64 12.248 -6.296 -0.384 1.00 0.00 C ATOM 0 H THR A 64 11.888 -3.410 1.407 1.00 0.00 H new ATOM 0 HA THR A 64 11.599 -3.837 -1.518 1.00 0.00 H new ATOM 0 HB THR A 64 10.238 -5.829 -0.940 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.770 -6.303 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.034 -7.342 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.608 -6.206 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.012 -5.931 0.302 1.00 0.00 H new ATOM 993 N ALA A 65 9.823 -2.050 0.283 1.00 0.00 N ATOM 994 CA ALA A 65 8.631 -1.176 0.404 1.00 0.00 C ATOM 995 C ALA A 65 8.152 -0.690 -0.979 1.00 0.00 C ATOM 996 O ALA A 65 6.971 -0.444 -1.188 1.00 0.00 O ATOM 997 CB ALA A 65 8.934 0.014 1.330 1.00 0.00 C ATOM 0 H ALA A 65 10.634 -1.704 0.796 1.00 0.00 H new ATOM 0 HA ALA A 65 7.823 -1.761 0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.050 0.647 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.207 -0.355 2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.760 0.594 0.919 1.00 0.00 H new ATOM 1003 N PHE A 66 9.120 -0.583 -1.900 1.00 0.00 N ATOM 1004 CA PHE A 66 8.921 -0.160 -3.304 1.00 0.00 C ATOM 1005 C PHE A 66 8.189 -1.218 -4.164 1.00 0.00 C ATOM 1006 O PHE A 66 7.786 -0.926 -5.296 1.00 0.00 O ATOM 1007 CB PHE A 66 10.301 0.187 -3.911 1.00 0.00 C ATOM 1008 CG PHE A 66 11.103 1.140 -3.023 1.00 0.00 C ATOM 1009 CD1 PHE A 66 10.622 2.420 -2.752 1.00 0.00 C ATOM 1010 CD2 PHE A 66 12.293 0.737 -2.414 1.00 0.00 C ATOM 1011 CE1 PHE A 66 11.311 3.269 -1.920 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.981 1.590 -1.575 1.00 0.00 C ATOM 1013 CZ PHE A 66 12.487 2.855 -1.326 1.00 0.00 C ATOM 0 H PHE A 66 10.095 -0.794 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 66 8.271 0.715 -3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.870 -0.730 -4.062 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.160 0.640 -4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.696 2.748 -3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.680 -0.254 -2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.932 4.262 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.904 1.269 -1.114 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.021 3.522 -0.666 1.00 0.00 H new ATOM 1023 N ASN A 67 7.994 -2.424 -3.604 1.00 0.00 N ATOM 1024 CA ASN A 67 7.231 -3.522 -4.241 1.00 0.00 C ATOM 1025 C ASN A 67 5.744 -3.455 -3.845 1.00 0.00 C ATOM 1026 O ASN A 67 4.977 -4.372 -4.169 1.00 0.00 O ATOM 1027 CB ASN A 67 7.830 -4.897 -3.840 1.00 0.00 C ATOM 1028 CG ASN A 67 9.284 -5.081 -4.268 1.00 0.00 C ATOM 1029 OD1 ASN A 67 9.725 -4.547 -5.284 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.034 -5.847 -3.497 1.00 0.00 N ATOM 0 H ASN A 67 8.364 -2.671 -2.686 1.00 0.00 H new ATOM 0 HA ASN A 67 7.305 -3.407 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.762 -5.012 -2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.227 -5.689 -4.283 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.012 -6.011 -3.737 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.636 -6.275 -2.661 1.00 0.00 H new ATOM 1037 N PHE A 68 5.363 -2.349 -3.152 1.00 0.00 N ATOM 1038 CA PHE A 68 3.995 -2.111 -2.654 1.00 0.00 C ATOM 1039 C PHE A 68 2.952 -2.289 -3.761 1.00 0.00 C ATOM 1040 O PHE A 68 1.933 -2.952 -3.553 1.00 0.00 O ATOM 1041 CB PHE A 68 3.880 -0.691 -2.018 1.00 0.00 C ATOM 1042 CG PHE A 68 4.051 0.505 -2.981 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.316 0.923 -3.411 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.942 1.212 -3.445 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.465 1.998 -4.267 1.00 0.00 C ATOM 1046 CE2 PHE A 68 3.093 2.285 -4.305 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.353 2.681 -4.714 1.00 0.00 C ATOM 0 H PHE A 68 6.010 -1.594 -2.925 1.00 0.00 H new ATOM 0 HA PHE A 68 3.792 -2.856 -1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.904 -0.608 -1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.629 -0.607 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.193 0.395 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.952 0.918 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.451 2.303 -4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.222 2.816 -4.659 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.466 3.523 -5.381 1.00 0.00 H new ATOM 1057 N ALA A 69 3.240 -1.711 -4.938 1.00 0.00 N ATOM 1058 CA ALA A 69 2.344 -1.740 -6.092 1.00 0.00 C ATOM 1059 C ALA A 69 2.089 -3.157 -6.622 1.00 0.00 C ATOM 1060 O ALA A 69 1.014 -3.413 -7.149 1.00 0.00 O ATOM 1061 CB ALA A 69 2.902 -0.831 -7.196 1.00 0.00 C ATOM 0 H ALA A 69 4.110 -1.208 -5.111 1.00 0.00 H new ATOM 0 HA ALA A 69 1.374 -1.367 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.234 -0.852 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.980 0.190 -6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.889 -1.184 -7.494 1.00 0.00 H new ATOM 1067 N SER A 70 3.065 -4.080 -6.482 1.00 0.00 N ATOM 1068 CA SER A 70 2.930 -5.462 -6.980 1.00 0.00 C ATOM 1069 C SER A 70 1.829 -6.206 -6.202 1.00 0.00 C ATOM 1070 O SER A 70 0.934 -6.813 -6.800 1.00 0.00 O ATOM 1071 CB SER A 70 4.284 -6.199 -6.847 1.00 0.00 C ATOM 1072 OG SER A 70 5.336 -5.487 -7.502 1.00 0.00 O ATOM 0 H SER A 70 3.957 -3.890 -6.026 1.00 0.00 H new ATOM 0 HA SER A 70 2.645 -5.436 -8.032 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.529 -6.323 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.199 -7.198 -7.274 1.00 0.00 H new ATOM 0 HG SER A 70 6.178 -5.978 -7.398 1.00 0.00 H new ATOM 1078 N ASP A 71 1.919 -6.137 -4.862 1.00 0.00 N ATOM 1079 CA ASP A 71 0.962 -6.790 -3.953 1.00 0.00 C ATOM 1080 C ASP A 71 -0.410 -6.087 -3.980 1.00 0.00 C ATOM 1081 O ASP A 71 -1.432 -6.750 -4.072 1.00 0.00 O ATOM 1082 CB ASP A 71 1.506 -6.794 -2.511 1.00 0.00 C ATOM 1083 CG ASP A 71 2.893 -7.434 -2.364 1.00 0.00 C ATOM 1084 OD1 ASP A 71 2.979 -8.671 -2.234 1.00 0.00 O ATOM 1085 OD2 ASP A 71 3.904 -6.702 -2.387 1.00 0.00 O ATOM 0 H ASP A 71 2.658 -5.626 -4.379 1.00 0.00 H new ATOM 0 HA ASP A 71 0.833 -7.816 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.552 -5.767 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.803 -7.326 -1.871 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.393 -4.746 -3.846 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.608 -3.886 -3.886 1.00 0.00 C ATOM 1092 C ALA A 72 -2.482 -4.174 -5.126 1.00 0.00 C ATOM 1093 O ALA A 72 -3.693 -4.398 -5.006 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.219 -2.396 -3.828 1.00 0.00 C ATOM 0 H ALA A 72 0.468 -4.218 -3.705 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.206 -4.127 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.120 -1.783 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.676 -2.197 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.585 -2.152 -4.681 1.00 0.00 H new ATOM 1100 N THR A 73 -1.845 -4.166 -6.306 1.00 0.00 N ATOM 1101 CA THR A 73 -2.491 -4.534 -7.583 1.00 0.00 C ATOM 1102 C THR A 73 -3.020 -5.978 -7.547 1.00 0.00 C ATOM 1103 O THR A 73 -4.142 -6.238 -7.982 1.00 0.00 O ATOM 1104 CB THR A 73 -1.490 -4.368 -8.771 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.109 -2.988 -8.877 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.058 -4.844 -10.121 1.00 0.00 C ATOM 0 H THR A 73 -0.864 -3.904 -6.406 1.00 0.00 H new ATOM 0 HA THR A 73 -3.337 -3.862 -7.730 1.00 0.00 H new ATOM 0 HB THR A 73 -0.629 -5.000 -8.551 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.318 -2.824 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.311 -4.700 -10.901 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.315 -5.901 -10.055 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.951 -4.268 -10.363 1.00 0.00 H new ATOM 1114 N ARG A 74 -2.196 -6.892 -7.002 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.491 -8.337 -6.947 1.00 0.00 C ATOM 1116 C ARG A 74 -3.802 -8.591 -6.178 1.00 0.00 C ATOM 1117 O ARG A 74 -4.691 -9.273 -6.678 1.00 0.00 O ATOM 1118 CB ARG A 74 -1.309 -9.088 -6.287 1.00 0.00 C ATOM 1119 CG ARG A 74 -1.347 -10.631 -6.381 1.00 0.00 C ATOM 1120 CD ARG A 74 -0.150 -11.276 -5.649 1.00 0.00 C ATOM 1121 NE ARG A 74 1.130 -10.651 -6.046 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.129 -10.329 -5.213 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.116 -10.723 -3.952 1.00 0.00 N ATOM 1124 NH2 ARG A 74 3.172 -9.656 -5.659 1.00 0.00 N ATOM 0 H ARG A 74 -1.299 -6.647 -6.584 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.620 -8.713 -7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.383 -8.739 -6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.270 -8.809 -5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.278 -10.999 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.339 -10.932 -7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.285 -11.178 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.119 -12.343 -5.870 1.00 0.00 H new ATOM 0 HE ARG A 74 1.264 -10.448 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.338 -11.281 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.884 -10.470 -3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.219 -9.380 -6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.931 -9.412 -5.023 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.923 -7.966 -4.992 1.00 0.00 N ATOM 1139 CA VAL A 75 -5.104 -8.098 -4.113 1.00 0.00 C ATOM 1140 C VAL A 75 -6.366 -7.551 -4.819 1.00 0.00 C ATOM 1141 O VAL A 75 -7.452 -8.121 -4.691 1.00 0.00 O ATOM 1142 CB VAL A 75 -4.890 -7.351 -2.733 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -6.124 -7.479 -1.799 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -3.615 -7.854 -2.018 1.00 0.00 C ATOM 0 H VAL A 75 -3.202 -7.352 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.241 -9.159 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.764 -6.293 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.930 -6.951 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.996 -7.044 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.313 -8.532 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.494 -7.323 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.704 -8.923 -1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.747 -7.671 -2.651 1.00 0.00 H new ATOM 1154 N ALA A 76 -6.188 -6.487 -5.625 1.00 0.00 N ATOM 1155 CA ALA A 76 -7.295 -5.789 -6.300 1.00 0.00 C ATOM 1156 C ALA A 76 -7.882 -6.660 -7.425 1.00 0.00 C ATOM 1157 O ALA A 76 -9.083 -6.946 -7.457 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.778 -4.458 -6.874 1.00 0.00 C ATOM 0 H ALA A 76 -5.271 -6.088 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.086 -5.593 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.594 -3.937 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.394 -3.837 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.980 -4.656 -7.590 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.982 -7.109 -8.314 1.00 0.00 N ATOM 1165 CA GLN A 77 -7.334 -7.812 -9.561 1.00 0.00 C ATOM 1166 C GLN A 77 -7.867 -9.235 -9.313 1.00 0.00 C ATOM 1167 O GLN A 77 -8.746 -9.690 -10.052 1.00 0.00 O ATOM 1168 CB GLN A 77 -6.125 -7.821 -10.529 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.875 -8.546 -10.005 1.00 0.00 C ATOM 1170 CD GLN A 77 -3.664 -8.450 -10.940 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -3.510 -7.483 -11.685 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -2.793 -9.446 -10.896 1.00 0.00 N ATOM 0 H GLN A 77 -5.977 -6.993 -8.187 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.152 -7.261 -10.025 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.432 -8.289 -11.464 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.858 -6.790 -10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.606 -8.130 -9.034 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.116 -9.597 -9.846 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.950 -10.233 -10.267 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.965 -9.426 -11.491 1.00 0.00 H new ATOM 1181 N LYS A 78 -7.334 -9.921 -8.272 1.00 0.00 N ATOM 1182 CA LYS A 78 -7.843 -11.243 -7.837 1.00 0.00 C ATOM 1183 C LYS A 78 -9.312 -11.144 -7.401 1.00 0.00 C ATOM 1184 O LYS A 78 -10.089 -12.082 -7.592 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.007 -11.820 -6.663 1.00 0.00 C ATOM 1186 CG LYS A 78 -5.556 -12.209 -7.014 1.00 0.00 C ATOM 1187 CD LYS A 78 -4.811 -12.870 -5.825 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.750 -11.976 -4.573 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.155 -12.683 -3.408 1.00 0.00 N ATOM 0 H LYS A 78 -6.550 -9.578 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.757 -11.913 -8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.984 -11.084 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.518 -12.701 -6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.563 -12.896 -7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.011 -11.319 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.306 -13.807 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.796 -13.120 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.163 -11.084 -4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.755 -11.641 -4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.134 -12.044 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.729 -13.520 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.186 -12.980 -3.640 1.00 0.00 H new ATOM 1203 N HIS A 79 -9.683 -9.982 -6.834 1.00 0.00 N ATOM 1204 CA HIS A 79 -11.042 -9.730 -6.332 1.00 0.00 C ATOM 1205 C HIS A 79 -11.930 -9.069 -7.402 1.00 0.00 C ATOM 1206 O HIS A 79 -13.005 -8.590 -7.076 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.999 -8.872 -5.037 1.00 0.00 C ATOM 1208 CG HIS A 79 -10.457 -9.603 -3.837 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -9.400 -9.141 -3.086 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -10.842 -10.767 -3.257 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -9.153 -9.982 -2.110 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -10.015 -10.976 -2.186 1.00 0.00 N ATOM 0 H HIS A 79 -9.048 -9.193 -6.712 1.00 0.00 H new ATOM 0 HA HIS A 79 -11.489 -10.694 -6.090 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.387 -7.989 -5.219 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -12.006 -8.521 -4.812 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.887 -8.277 -3.262 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.649 -11.408 -3.579 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.374 -9.877 -1.369 1.00 0.00 H new ATOM 1221 N GLY A 80 -11.512 -9.098 -8.679 1.00 0.00 N ATOM 1222 CA GLY A 80 -12.344 -8.598 -9.776 1.00 0.00 C ATOM 1223 C GLY A 80 -11.998 -7.190 -10.244 1.00 0.00 C ATOM 1224 O GLY A 80 -12.806 -6.265 -10.121 1.00 0.00 O ATOM 0 H GLY A 80 -10.605 -9.462 -8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.255 -9.280 -10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.387 -8.616 -9.460 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.782 -7.021 -10.759 1.00 0.00 N ATOM 1229 CA LEU A 81 -10.411 -5.848 -11.589 1.00 0.00 C ATOM 1230 C LEU A 81 -9.874 -6.335 -12.944 1.00 0.00 C ATOM 1231 O LEU A 81 -9.884 -5.568 -13.911 1.00 0.00 O ATOM 1232 CB LEU A 81 -9.337 -4.920 -10.896 1.00 0.00 C ATOM 1233 CG LEU A 81 -9.862 -3.720 -10.041 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -10.786 -2.798 -10.869 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -10.539 -4.197 -8.744 1.00 0.00 C ATOM 0 H LEU A 81 -10.019 -7.684 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.311 -5.248 -11.723 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.717 -5.545 -10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.687 -4.520 -11.674 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.996 -3.127 -9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.133 -1.975 -10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.234 -2.400 -11.721 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.643 -3.368 -11.227 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.890 -3.334 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.385 -4.838 -8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.822 -4.757 -8.144 1.00 0.00 H new ATOM 1466 N TYR A 95 2.256 6.702 -9.394 1.00 0.00 N ATOM 1467 CA TYR A 95 3.173 5.665 -8.877 1.00 0.00 C ATOM 1468 C TYR A 95 4.472 6.300 -8.362 1.00 0.00 C ATOM 1469 O TYR A 95 4.846 6.071 -7.221 1.00 0.00 O ATOM 1470 CB TYR A 95 3.492 4.576 -9.948 1.00 0.00 C ATOM 1471 CG TYR A 95 4.550 3.545 -9.480 1.00 0.00 C ATOM 1472 CD1 TYR A 95 4.254 2.615 -8.477 1.00 0.00 C ATOM 1473 CD2 TYR A 95 5.852 3.539 -9.995 1.00 0.00 C ATOM 1474 CE1 TYR A 95 5.208 1.721 -8.022 1.00 0.00 C ATOM 1475 CE2 TYR A 95 6.805 2.647 -9.533 1.00 0.00 C ATOM 1476 CZ TYR A 95 6.477 1.743 -8.549 1.00 0.00 C ATOM 1477 OH TYR A 95 7.427 0.855 -8.085 1.00 0.00 O ATOM 0 HA TYR A 95 2.665 5.171 -8.049 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.573 4.051 -10.206 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.847 5.063 -10.856 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.262 2.594 -8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.118 4.244 -10.768 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.955 1.006 -7.253 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.804 2.661 -9.944 1.00 0.00 H new ATOM 0 HH TYR A 95 8.106 1.341 -7.573 1.00 0.00 H new ATOM 1487 N ASP A 96 5.135 7.094 -9.226 1.00 0.00 N ATOM 1488 CA ASP A 96 6.415 7.762 -8.904 1.00 0.00 C ATOM 1489 C ASP A 96 6.254 8.804 -7.775 1.00 0.00 C ATOM 1490 O ASP A 96 7.191 9.038 -7.009 1.00 0.00 O ATOM 1491 CB ASP A 96 7.008 8.420 -10.178 1.00 0.00 C ATOM 1492 CG ASP A 96 8.449 8.947 -9.993 1.00 0.00 C ATOM 1493 OD1 ASP A 96 9.401 8.157 -10.164 1.00 0.00 O ATOM 1494 OD2 ASP A 96 8.637 10.145 -9.683 1.00 0.00 O ATOM 0 H ASP A 96 4.799 7.291 -10.169 1.00 0.00 H new ATOM 0 HA ASP A 96 7.106 7.001 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.998 7.693 -10.990 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.365 9.246 -10.482 1.00 0.00 H new ATOM 1499 N ALA A 97 5.064 9.426 -7.688 1.00 0.00 N ATOM 1500 CA ALA A 97 4.755 10.420 -6.638 1.00 0.00 C ATOM 1501 C ALA A 97 4.687 9.748 -5.254 1.00 0.00 C ATOM 1502 O ALA A 97 5.318 10.204 -4.289 1.00 0.00 O ATOM 1503 CB ALA A 97 3.431 11.135 -6.970 1.00 0.00 C ATOM 0 H ALA A 97 4.294 9.258 -8.336 1.00 0.00 H new ATOM 0 HA ALA A 97 5.554 11.161 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.208 11.866 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.522 11.642 -7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.625 10.403 -7.021 1.00 0.00 H new ATOM 1509 N MET A 98 3.917 8.651 -5.194 1.00 0.00 N ATOM 1510 CA MET A 98 3.790 7.789 -4.004 1.00 0.00 C ATOM 1511 C MET A 98 5.132 7.113 -3.658 1.00 0.00 C ATOM 1512 O MET A 98 5.448 6.924 -2.494 1.00 0.00 O ATOM 1513 CB MET A 98 2.688 6.721 -4.263 1.00 0.00 C ATOM 1514 CG MET A 98 2.392 5.770 -3.086 1.00 0.00 C ATOM 1515 SD MET A 98 1.028 4.632 -3.418 1.00 0.00 S ATOM 1516 CE MET A 98 -0.326 5.769 -3.694 1.00 0.00 C ATOM 0 H MET A 98 3.355 8.331 -5.983 1.00 0.00 H new ATOM 0 HA MET A 98 3.507 8.405 -3.150 1.00 0.00 H new ATOM 0 HB2 MET A 98 1.765 7.235 -4.532 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.983 6.123 -5.125 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.289 5.195 -2.857 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.157 6.360 -2.200 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.097 5.607 -2.940 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.039 6.794 -3.625 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.747 5.600 -4.685 1.00 0.00 H new ATOM 1526 N PHE A 99 5.899 6.770 -4.705 1.00 0.00 N ATOM 1527 CA PHE A 99 7.226 6.128 -4.596 1.00 0.00 C ATOM 1528 C PHE A 99 8.206 7.044 -3.836 1.00 0.00 C ATOM 1529 O PHE A 99 8.857 6.612 -2.880 1.00 0.00 O ATOM 1530 CB PHE A 99 7.759 5.801 -6.020 1.00 0.00 C ATOM 1531 CG PHE A 99 9.014 4.921 -6.092 1.00 0.00 C ATOM 1532 CD1 PHE A 99 10.290 5.470 -5.958 1.00 0.00 C ATOM 1533 CD2 PHE A 99 8.912 3.550 -6.330 1.00 0.00 C ATOM 1534 CE1 PHE A 99 11.418 4.678 -6.051 1.00 0.00 C ATOM 1535 CE2 PHE A 99 10.039 2.760 -6.422 1.00 0.00 C ATOM 1536 CZ PHE A 99 11.292 3.322 -6.285 1.00 0.00 C ATOM 0 H PHE A 99 5.612 6.933 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 99 7.135 5.199 -4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.963 5.308 -6.578 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.971 6.741 -6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.397 6.530 -5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.936 3.101 -6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 99 12.398 5.118 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.941 1.700 -6.602 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.173 2.702 -6.361 1.00 0.00 H new ATOM 1546 N GLU A 100 8.294 8.312 -4.287 1.00 0.00 N ATOM 1547 CA GLU A 100 9.168 9.328 -3.677 1.00 0.00 C ATOM 1548 C GLU A 100 8.713 9.734 -2.270 1.00 0.00 C ATOM 1549 O GLU A 100 9.545 10.142 -1.446 1.00 0.00 O ATOM 1550 CB GLU A 100 9.307 10.571 -4.589 1.00 0.00 C ATOM 1551 CG GLU A 100 10.104 10.323 -5.886 1.00 0.00 C ATOM 1552 CD GLU A 100 11.541 9.835 -5.614 1.00 0.00 C ATOM 1553 OE1 GLU A 100 12.405 10.665 -5.257 1.00 0.00 O ATOM 1554 OE2 GLU A 100 11.807 8.622 -5.725 1.00 0.00 O ATOM 0 H GLU A 100 7.760 8.658 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 100 10.149 8.865 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.311 10.927 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.792 11.368 -4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 100 9.582 9.584 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.141 11.244 -6.467 1.00 0.00 H new ATOM 1561 N ASP A 101 7.404 9.645 -1.996 1.00 0.00 N ATOM 1562 CA ASP A 101 6.887 9.905 -0.644 1.00 0.00 C ATOM 1563 C ASP A 101 7.288 8.748 0.289 1.00 0.00 C ATOM 1564 O ASP A 101 7.806 8.985 1.366 1.00 0.00 O ATOM 1565 CB ASP A 101 5.354 10.112 -0.651 1.00 0.00 C ATOM 1566 CG ASP A 101 4.789 10.440 0.753 1.00 0.00 C ATOM 1567 OD1 ASP A 101 5.095 11.531 1.287 1.00 0.00 O ATOM 1568 OD2 ASP A 101 4.052 9.613 1.332 1.00 0.00 O ATOM 0 H ASP A 101 6.691 9.398 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 101 7.328 10.830 -0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.104 10.921 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.872 9.211 -1.031 1.00 0.00 H new ATOM 1573 N ILE A 102 7.068 7.500 -0.168 1.00 0.00 N ATOM 1574 CA ILE A 102 7.426 6.270 0.583 1.00 0.00 C ATOM 1575 C ILE A 102 8.943 6.216 0.898 1.00 0.00 C ATOM 1576 O ILE A 102 9.319 5.947 2.030 1.00 0.00 O ATOM 1577 CB ILE A 102 6.935 4.965 -0.189 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.373 4.835 -0.076 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.641 3.662 0.288 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.764 3.630 -0.785 1.00 0.00 C ATOM 0 H ILE A 102 6.635 7.311 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 102 6.904 6.301 1.539 1.00 0.00 H new ATOM 0 HB ILE A 102 7.217 5.087 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.105 4.788 0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.920 5.740 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.259 2.813 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.716 3.751 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.443 3.508 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.683 3.634 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.993 3.680 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.180 2.713 -0.367 1.00 0.00 H new ATOM 1592 N ARG A 103 9.802 6.545 -0.087 1.00 0.00 N ATOM 1593 CA ARG A 103 11.276 6.535 0.110 1.00 0.00 C ATOM 1594 C ARG A 103 11.681 7.573 1.184 1.00 0.00 C ATOM 1595 O ARG A 103 12.676 7.397 1.891 1.00 0.00 O ATOM 1596 CB ARG A 103 12.050 6.689 -1.246 1.00 0.00 C ATOM 1597 CG ARG A 103 12.015 8.054 -1.970 1.00 0.00 C ATOM 1598 CD ARG A 103 13.093 9.047 -1.506 1.00 0.00 C ATOM 1599 NE ARG A 103 13.173 10.222 -2.388 1.00 0.00 N ATOM 1600 CZ ARG A 103 14.076 11.207 -2.293 1.00 0.00 C ATOM 1601 NH1 ARG A 103 14.961 11.233 -1.304 1.00 0.00 N ATOM 1602 NH2 ARG A 103 14.075 12.175 -3.195 1.00 0.00 N ATOM 0 H ARG A 103 9.508 6.820 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 103 11.573 5.558 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.095 6.440 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.661 5.939 -1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.129 7.886 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.034 8.505 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.874 9.371 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.061 8.546 -1.480 1.00 0.00 H new ATOM 0 HE ARG A 103 12.482 10.293 -3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.961 10.495 -0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.641 11.991 -1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.392 12.166 -3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.758 12.930 -3.133 1.00 0.00 H new ATOM 1616 N ALA A 104 10.872 8.642 1.297 1.00 0.00 N ATOM 1617 CA ALA A 104 11.038 9.689 2.314 1.00 0.00 C ATOM 1618 C ALA A 104 10.631 9.196 3.721 1.00 0.00 C ATOM 1619 O ALA A 104 11.381 9.374 4.689 1.00 0.00 O ATOM 1620 CB ALA A 104 10.209 10.916 1.929 1.00 0.00 C ATOM 0 H ALA A 104 10.078 8.802 0.677 1.00 0.00 H new ATOM 0 HA ALA A 104 12.095 9.953 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.334 11.691 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.545 11.294 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.157 10.639 1.864 1.00 0.00 H new ATOM 1626 N LYS A 105 9.406 8.638 3.823 1.00 0.00 N ATOM 1627 CA LYS A 105 8.827 8.124 5.087 1.00 0.00 C ATOM 1628 C LYS A 105 9.692 7.016 5.723 1.00 0.00 C ATOM 1629 O LYS A 105 9.876 6.974 6.943 1.00 0.00 O ATOM 1630 CB LYS A 105 7.390 7.575 4.831 1.00 0.00 C ATOM 1631 CG LYS A 105 6.404 8.544 4.124 1.00 0.00 C ATOM 1632 CD LYS A 105 6.180 9.871 4.879 1.00 0.00 C ATOM 1633 CE LYS A 105 5.502 9.669 6.240 1.00 0.00 C ATOM 1634 NZ LYS A 105 5.356 10.948 6.978 1.00 0.00 N ATOM 0 H LYS A 105 8.783 8.530 3.023 1.00 0.00 H new ATOM 0 HA LYS A 105 8.793 8.960 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.471 6.669 4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.958 7.285 5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.781 8.765 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.444 8.042 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.139 10.368 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.568 10.534 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.520 9.220 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.087 8.969 6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.867 10.888 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.750 11.724 6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.349 11.130 7.161 1.00 0.00 H new ATOM 1648 N LEU A 106 10.183 6.105 4.872 1.00 0.00 N ATOM 1649 CA LEU A 106 11.047 4.983 5.286 1.00 0.00 C ATOM 1650 C LEU A 106 12.460 5.456 5.684 1.00 0.00 C ATOM 1651 O LEU A 106 13.165 4.741 6.398 1.00 0.00 O ATOM 1652 CB LEU A 106 11.108 3.889 4.172 1.00 0.00 C ATOM 1653 CG LEU A 106 9.904 2.890 4.103 1.00 0.00 C ATOM 1654 CD1 LEU A 106 9.811 2.032 5.380 1.00 0.00 C ATOM 1655 CD2 LEU A 106 8.579 3.615 3.832 1.00 0.00 C ATOM 0 H LEU A 106 9.993 6.123 3.870 1.00 0.00 H new ATOM 0 HA LEU A 106 10.600 4.539 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.191 4.390 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.022 3.312 4.311 1.00 0.00 H new ATOM 0 HG LEU A 106 10.091 2.221 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.965 1.350 5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.730 1.458 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.673 2.681 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.768 2.888 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.385 4.330 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.641 4.143 2.880 1.00 0.00 H new ATOM 1667 N HIS A 107 12.876 6.641 5.196 1.00 0.00 N ATOM 1668 CA HIS A 107 14.098 7.324 5.685 1.00 0.00 C ATOM 1669 C HIS A 107 13.843 7.963 7.071 1.00 0.00 C ATOM 1670 O HIS A 107 14.787 8.165 7.841 1.00 0.00 O ATOM 1671 CB HIS A 107 14.551 8.405 4.658 1.00 0.00 C ATOM 1672 CG HIS A 107 15.780 9.188 5.064 1.00 0.00 C ATOM 1673 ND1 HIS A 107 17.065 8.747 4.827 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.912 10.381 5.702 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.925 9.619 5.305 1.00 0.00 C ATOM 1676 NE2 HIS A 107 17.254 10.621 5.840 1.00 0.00 N ATOM 0 H HIS A 107 12.384 7.149 4.461 1.00 0.00 H new ATOM 0 HA HIS A 107 14.894 6.587 5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.746 7.919 3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.729 9.103 4.499 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.109 11.020 6.038 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.001 9.530 5.266 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.667 11.441 6.284 1.00 0.00 H new ATOM 1685 N ALA A 108 12.555 8.258 7.346 1.00 0.00 N ATOM 1686 CA ALA A 108 12.071 8.964 8.548 1.00 0.00 C ATOM 1687 C ALA A 108 12.391 10.471 8.459 1.00 0.00 C ATOM 1688 O ALA A 108 13.492 10.914 8.810 1.00 0.00 O ATOM 1689 CB ALA A 108 12.571 8.335 9.872 1.00 0.00 C ATOM 0 H ALA A 108 11.797 8.001 6.713 1.00 0.00 H new ATOM 0 HA ALA A 108 10.987 8.848 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 108 12.178 8.903 10.716 1.00 0.00 H new ATOM 0 HB2 ALA A 108 12.227 7.303 9.937 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.661 8.356 9.896 1.00 0.00 H new ATOM 1727 N GLY A 111 7.252 14.315 8.589 1.00 0.00 N ATOM 1728 CA GLY A 111 6.083 14.309 7.706 1.00 0.00 C ATOM 1729 C GLY A 111 6.441 14.309 6.223 1.00 0.00 C ATOM 1730 O GLY A 111 6.445 13.256 5.575 1.00 0.00 O ATOM 0 HA2 GLY A 111 5.476 13.430 7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.469 15.183 7.923 1.00 0.00 H new ATOM 1734 N GLU A 112 6.775 15.502 5.706 1.00 0.00 N ATOM 1735 CA GLU A 112 6.984 15.745 4.267 1.00 0.00 C ATOM 1736 C GLU A 112 8.382 15.273 3.784 1.00 0.00 C ATOM 1737 O GLU A 112 9.343 15.277 4.570 1.00 0.00 O ATOM 1738 CB GLU A 112 6.783 17.259 3.975 1.00 0.00 C ATOM 1739 CG GLU A 112 5.362 17.769 4.305 1.00 0.00 C ATOM 1740 CD GLU A 112 5.143 19.247 3.953 1.00 0.00 C ATOM 1741 OE1 GLU A 112 4.952 19.564 2.758 1.00 0.00 O ATOM 1742 OE2 GLU A 112 5.164 20.106 4.862 1.00 0.00 O ATOM 0 H GLU A 112 6.909 16.334 6.280 1.00 0.00 H new ATOM 0 HA GLU A 112 6.252 15.158 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.509 17.831 4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.993 17.449 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.633 17.164 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.171 17.625 5.368 1.00 0.00 H new ATOM 1749 N PRO A 113 8.494 14.826 2.482 1.00 0.00 N ATOM 1750 CA PRO A 113 9.794 14.532 1.814 1.00 0.00 C ATOM 1751 C PRO A 113 10.783 15.719 1.807 1.00 0.00 C ATOM 1752 O PRO A 113 10.397 16.873 2.047 1.00 0.00 O ATOM 1753 CB PRO A 113 9.375 14.162 0.362 1.00 0.00 C ATOM 1754 CG PRO A 113 7.974 13.657 0.493 1.00 0.00 C ATOM 1755 CD PRO A 113 7.349 14.506 1.575 1.00 0.00 C ATOM 0 HA PRO A 113 10.335 13.747 2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.425 15.028 -0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.033 13.402 -0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 113 7.431 13.754 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 113 7.959 12.601 0.763 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.899 15.410 1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 113 6.560 13.968 2.101 1.00 0.00 H new ATOM 1763 N VAL A 114 12.067 15.416 1.517 1.00 0.00 N ATOM 1764 CA VAL A 114 13.139 16.428 1.470 1.00 0.00 C ATOM 1765 C VAL A 114 12.949 17.344 0.231 1.00 0.00 C ATOM 1766 O VAL A 114 12.898 16.878 -0.916 1.00 0.00 O ATOM 1767 CB VAL A 114 14.580 15.765 1.509 1.00 0.00 C ATOM 1768 CG1 VAL A 114 14.837 14.809 0.318 1.00 0.00 C ATOM 1769 CG2 VAL A 114 15.694 16.840 1.626 1.00 0.00 C ATOM 0 H VAL A 114 12.386 14.469 1.311 1.00 0.00 H new ATOM 0 HA VAL A 114 13.068 17.048 2.364 1.00 0.00 H new ATOM 0 HB VAL A 114 14.611 15.148 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.838 14.387 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 114 14.102 14.005 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 114 14.752 15.362 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.669 16.353 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 114 15.645 17.510 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 114 15.552 17.413 2.542 1.00 0.00 H new ATOM 1779 N ASP A 115 12.835 18.655 0.488 1.00 0.00 N ATOM 1780 CA ASP A 115 12.430 19.662 -0.522 1.00 0.00 C ATOM 1781 C ASP A 115 13.632 20.207 -1.325 1.00 0.00 C ATOM 1782 O ASP A 115 13.582 21.330 -1.838 1.00 0.00 O ATOM 1783 CB ASP A 115 11.661 20.834 0.165 1.00 0.00 C ATOM 1784 CG ASP A 115 10.279 20.423 0.717 1.00 0.00 C ATOM 1785 OD1 ASP A 115 9.391 20.095 -0.094 1.00 0.00 O ATOM 1786 OD2 ASP A 115 10.070 20.453 1.947 1.00 0.00 O ATOM 0 H ASP A 115 13.021 19.056 1.407 1.00 0.00 H new ATOM 0 HA ASP A 115 11.771 19.161 -1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.267 21.227 0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.531 21.643 -0.554 1.00 0.00 H new ATOM 1791 N LEU A 116 14.695 19.398 -1.471 1.00 0.00 N ATOM 1792 CA LEU A 116 15.848 19.750 -2.324 1.00 0.00 C ATOM 1793 C LEU A 116 15.424 19.830 -3.808 1.00 0.00 C ATOM 1794 O LEU A 116 15.964 20.628 -4.574 1.00 0.00 O ATOM 1795 CB LEU A 116 17.038 18.759 -2.084 1.00 0.00 C ATOM 1796 CG LEU A 116 16.779 17.207 -2.230 1.00 0.00 C ATOM 1797 CD1 LEU A 116 16.736 16.724 -3.699 1.00 0.00 C ATOM 1798 CD2 LEU A 116 17.825 16.397 -1.427 1.00 0.00 C ATOM 0 H LEU A 116 14.782 18.493 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 116 16.206 20.741 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.835 19.027 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.417 18.937 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 116 15.787 17.028 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 116 16.555 15.649 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.934 17.239 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.689 16.942 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.627 15.331 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 116 18.824 16.623 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.762 16.666 -0.373 1.00 0.00 H new ATOM 1810 N GLU A 117 14.409 19.020 -4.171 1.00 0.00 N ATOM 1811 CA GLU A 117 13.882 18.929 -5.541 1.00 0.00 C ATOM 1812 C GLU A 117 12.644 19.840 -5.747 1.00 0.00 C ATOM 1813 O GLU A 117 12.002 19.787 -6.801 1.00 0.00 O ATOM 1814 CB GLU A 117 13.546 17.446 -5.855 1.00 0.00 C ATOM 1815 CG GLU A 117 12.496 16.803 -4.923 1.00 0.00 C ATOM 1816 CD GLU A 117 12.217 15.329 -5.272 1.00 0.00 C ATOM 1817 OE1 GLU A 117 11.459 15.072 -6.232 1.00 0.00 O ATOM 1818 OE2 GLU A 117 12.777 14.424 -4.613 1.00 0.00 O ATOM 0 H GLU A 117 13.930 18.406 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 117 14.645 19.284 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.187 17.380 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.465 16.862 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 117 12.842 16.869 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 117 11.567 17.369 -4.984 1.00 0.00 H new ATOM 1825 N ARG A 118 12.344 20.711 -4.748 1.00 0.00 N ATOM 1826 CA ARG A 118 11.155 21.609 -4.781 1.00 0.00 C ATOM 1827 C ARG A 118 11.382 22.813 -5.728 1.00 0.00 C ATOM 1828 O ARG A 118 10.454 23.577 -6.033 1.00 0.00 O ATOM 1829 CB ARG A 118 10.809 22.082 -3.344 1.00 0.00 C ATOM 1830 CG ARG A 118 9.393 22.684 -3.159 1.00 0.00 C ATOM 1831 CD ARG A 118 9.138 23.133 -1.710 1.00 0.00 C ATOM 1832 NE ARG A 118 7.745 23.555 -1.475 1.00 0.00 N ATOM 1833 CZ ARG A 118 7.167 23.653 -0.266 1.00 0.00 C ATOM 1834 NH1 ARG A 118 7.854 23.378 0.843 1.00 0.00 N ATOM 1835 NH2 ARG A 118 5.899 24.012 -0.175 1.00 0.00 N ATOM 0 H ARG A 118 12.911 20.812 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 118 10.309 21.046 -5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.915 21.235 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.544 22.827 -3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 118 9.272 23.536 -3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 118 8.645 21.944 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.383 22.314 -1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 118 9.808 23.958 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 118 7.178 23.790 -2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 118 8.830 23.089 0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 118 7.403 23.456 1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.364 24.213 -1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 118 5.455 24.088 0.740 1.00 0.00 H new ATOM 1849 N ILE A 119 12.634 22.954 -6.189 1.00 0.00 N ATOM 1850 CA ILE A 119 13.046 23.971 -7.166 1.00 0.00 C ATOM 1851 C ILE A 119 12.441 23.638 -8.552 1.00 0.00 C ATOM 1852 O ILE A 119 11.968 24.532 -9.266 1.00 0.00 O ATOM 1853 CB ILE A 119 14.632 24.097 -7.219 1.00 0.00 C ATOM 1854 CG1 ILE A 119 15.201 24.790 -5.919 1.00 0.00 C ATOM 1855 CG2 ILE A 119 15.121 24.853 -8.485 1.00 0.00 C ATOM 1856 CD1 ILE A 119 15.041 24.015 -4.616 1.00 0.00 C ATOM 0 H ILE A 119 13.401 22.353 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 119 12.664 24.944 -6.857 1.00 0.00 H new ATOM 0 HB ILE A 119 15.018 23.079 -7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 119 16.262 24.986 -6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 119 14.711 25.757 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.209 24.913 -8.475 1.00 0.00 H new ATOM 0 HG22 ILE A 119 14.795 24.318 -9.377 1.00 0.00 H new ATOM 0 HG23 ILE A 119 14.702 25.859 -8.492 1.00 0.00 H new ATOM 0 HD11 ILE A 119 15.469 24.591 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.982 23.841 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 119 15.557 23.058 -4.696 1.00 0.00 H new ATOM 1868 N ILE A 120 12.427 22.332 -8.899 1.00 0.00 N ATOM 1869 CA ILE A 120 11.831 21.836 -10.157 1.00 0.00 C ATOM 1870 C ILE A 120 10.575 20.999 -9.828 1.00 0.00 C ATOM 1871 O ILE A 120 10.662 19.788 -9.584 1.00 0.00 O ATOM 1872 CB ILE A 120 12.854 20.972 -11.003 1.00 0.00 C ATOM 1873 CG1 ILE A 120 14.204 21.737 -11.212 1.00 0.00 C ATOM 1874 CG2 ILE A 120 12.238 20.552 -12.370 1.00 0.00 C ATOM 1875 CD1 ILE A 120 15.285 20.939 -11.936 1.00 0.00 C ATOM 0 H ILE A 120 12.827 21.596 -8.317 1.00 0.00 H new ATOM 0 HA ILE A 120 11.560 22.699 -10.765 1.00 0.00 H new ATOM 0 HB ILE A 120 13.067 20.065 -10.437 1.00 0.00 H new ATOM 0 HG12 ILE A 120 14.006 22.648 -11.776 1.00 0.00 H new ATOM 0 HG13 ILE A 120 14.588 22.042 -10.238 1.00 0.00 H new ATOM 0 HG21 ILE A 120 12.963 19.960 -12.929 1.00 0.00 H new ATOM 0 HG22 ILE A 120 11.340 19.958 -12.198 1.00 0.00 H new ATOM 0 HG23 ILE A 120 11.979 21.443 -12.942 1.00 0.00 H new ATOM 0 HD11 ILE A 120 16.183 21.549 -12.035 1.00 0.00 H new ATOM 0 HD12 ILE A 120 15.518 20.040 -11.365 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.927 20.657 -12.926 1.00 0.00 H new ATOM 1887 N ARG A 121 9.419 21.676 -9.753 1.00 0.00 N ATOM 1888 CA ARG A 121 8.095 21.031 -9.582 1.00 0.00 C ATOM 1889 C ARG A 121 7.202 21.419 -10.773 1.00 0.00 C ATOM 1890 O ARG A 121 7.678 22.029 -11.739 1.00 0.00 O ATOM 1891 CB ARG A 121 7.439 21.458 -8.235 1.00 0.00 C ATOM 1892 CG ARG A 121 8.275 21.143 -6.980 1.00 0.00 C ATOM 1893 CD ARG A 121 8.567 19.637 -6.794 1.00 0.00 C ATOM 1894 NE ARG A 121 7.373 18.864 -6.404 1.00 0.00 N ATOM 1895 CZ ARG A 121 7.197 17.553 -6.633 1.00 0.00 C ATOM 1896 NH1 ARG A 121 8.012 16.881 -7.434 1.00 0.00 N ATOM 1897 NH2 ARG A 121 6.166 16.930 -6.103 1.00 0.00 N ATOM 0 H ARG A 121 9.369 22.693 -9.809 1.00 0.00 H new ATOM 0 HA ARG A 121 8.217 19.948 -9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 121 7.245 22.530 -8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 121 6.473 20.962 -8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 121 9.220 21.683 -7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 121 7.749 21.514 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 121 8.968 19.232 -7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 121 9.338 19.513 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 121 6.624 19.363 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 121 8.789 17.360 -7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 121 7.862 15.885 -7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.504 17.443 -5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 121 6.029 15.934 -6.275 1.00 0.00 H new