USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 565 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 8 TYR OH : rot 108:sc= -1.34! USER MOD Set 1.2: A 50 SER OG : rot 154:sc= -0.393 USER MOD Single : A 7 SER OG : rot -31:sc= -0.845! USER MOD Single : A 13 THR OG1 : rot 87:sc= -1.59 USER MOD Single : A 14 MET CE :methyl -128:sc= 0 (180deg=-1.97) USER MOD Single : A 18 GLN : amide:sc= 0.45 K(o=0.45,f=-1.2) USER MOD Single : A 19 SER OG : rot -90:sc= -1.2! USER MOD Single : A 21 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 13:sc= 1.07 USER MOD Single : A 27 SER OG : rot -170:sc= -0.147 USER MOD Single : A 30 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -10.1! C(o=-10!,f=-13!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.777 K(o=-0.78,f=-7.4!) USER MOD Single : A 49 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -2.95! C(o=-2.9!,f=-4.1!) USER MOD Single : A 56 SER OG : rot -54:sc= 0.358 USER MOD Single : A 58 ASN :FLIP amide:sc= -4.27 F(o=-7.6!,f=-4.3) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.732 K(o=-0.73,f=-3.2!) USER MOD Single : A 76 TYR OH : rot 15:sc= -1.43! USER MOD Single : A 78 THR OG1 : rot -66:sc=0.000368 USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 9.300 -10.331 -6.365 1.00 1.00 N ATOM 106 CA SER A 7 10.033 -11.387 -7.043 1.00 1.00 C ATOM 107 C SER A 7 10.550 -10.864 -8.384 1.00 1.00 C ATOM 108 O SER A 7 9.787 -10.183 -9.085 1.00 1.00 O ATOM 109 CB SER A 7 9.160 -12.626 -7.257 1.00 1.00 C ATOM 110 OG SER A 7 7.790 -12.286 -7.454 1.00 1.00 O ATOM 0 HA SER A 7 10.874 -11.683 -6.415 1.00 1.00 H new ATOM 0 HB2 SER A 7 9.524 -13.181 -8.122 1.00 1.00 H new ATOM 0 HB3 SER A 7 9.249 -13.286 -6.394 1.00 1.00 H new ATOM 0 HG SER A 7 7.580 -11.471 -6.953 1.00 1.00 H new ATOM 116 N TYR A 8 11.814 -11.186 -8.710 1.00 1.00 N ATOM 117 CA TYR A 8 12.367 -10.716 -9.968 1.00 1.00 C ATOM 118 C TYR A 8 11.928 -11.654 -11.095 1.00 1.00 C ATOM 119 O TYR A 8 11.141 -11.213 -11.946 1.00 1.00 O ATOM 120 CB TYR A 8 13.900 -10.617 -9.870 1.00 1.00 C ATOM 121 CG TYR A 8 14.424 -9.222 -9.556 1.00 1.00 C ATOM 122 CD1 TYR A 8 14.651 -8.292 -10.597 1.00 1.00 C ATOM 123 CD2 TYR A 8 14.692 -8.852 -8.218 1.00 1.00 C ATOM 124 CE1 TYR A 8 15.139 -7.002 -10.301 1.00 1.00 C ATOM 125 CE2 TYR A 8 15.180 -7.562 -7.923 1.00 1.00 C ATOM 126 CZ TYR A 8 15.404 -6.635 -8.963 1.00 1.00 C ATOM 127 OH TYR A 8 15.875 -5.386 -8.673 1.00 1.00 O ATOM 0 H TYR A 8 12.443 -11.749 -8.137 1.00 1.00 H new ATOM 0 HA TYR A 8 11.991 -9.717 -10.190 1.00 1.00 H new ATOM 0 HB2 TYR A 8 14.247 -11.304 -9.098 1.00 1.00 H new ATOM 0 HB3 TYR A 8 14.334 -10.951 -10.813 1.00 1.00 H new ATOM 0 HD1 TYR A 8 14.450 -8.570 -11.621 1.00 1.00 H new ATOM 0 HD2 TYR A 8 14.523 -9.559 -7.420 1.00 1.00 H new ATOM 0 HE1 TYR A 8 15.310 -6.294 -11.098 1.00 1.00 H new ATOM 0 HE2 TYR A 8 15.383 -7.283 -6.899 1.00 1.00 H new ATOM 0 HH TYR A 8 15.170 -4.864 -8.237 1.00 1.00 H new ATOM 137 N ILE A 9 12.438 -12.898 -11.087 1.00 1.00 N ATOM 138 CA ILE A 9 12.103 -13.874 -12.109 1.00 1.00 C ATOM 139 C ILE A 9 10.591 -13.866 -12.340 1.00 1.00 C ATOM 140 O ILE A 9 10.172 -13.729 -13.499 1.00 1.00 O ATOM 141 CB ILE A 9 12.662 -15.250 -11.740 1.00 1.00 C ATOM 142 CG1 ILE A 9 12.290 -15.625 -10.304 1.00 1.00 C ATOM 143 CG2 ILE A 9 14.172 -15.310 -11.976 1.00 1.00 C ATOM 144 CD1 ILE A 9 11.140 -16.634 -10.281 1.00 1.00 C ATOM 0 H ILE A 9 13.085 -13.241 -10.377 1.00 1.00 H new ATOM 0 HA ILE A 9 12.572 -13.609 -13.057 1.00 1.00 H new ATOM 0 HB ILE A 9 12.205 -15.992 -12.395 1.00 1.00 H new ATOM 0 HG12 ILE A 9 13.158 -16.047 -9.798 1.00 1.00 H new ATOM 0 HG13 ILE A 9 12.004 -14.729 -9.753 1.00 1.00 H new ATOM 0 HG21 ILE A 9 14.543 -16.298 -11.706 1.00 1.00 H new ATOM 0 HG22 ILE A 9 14.384 -15.118 -13.028 1.00 1.00 H new ATOM 0 HG23 ILE A 9 14.666 -14.557 -11.363 1.00 1.00 H new ATOM 0 HD11 ILE A 9 10.895 -16.884 -9.249 1.00 1.00 H new ATOM 0 HD12 ILE A 9 10.266 -16.200 -10.766 1.00 1.00 H new ATOM 0 HD13 ILE A 9 11.438 -17.538 -10.812 1.00 1.00 H new ATOM 156 N ALA A 10 9.815 -14.012 -11.251 1.00 1.00 N ATOM 157 CA ALA A 10 8.364 -14.021 -11.335 1.00 1.00 C ATOM 158 C ALA A 10 7.894 -12.783 -12.101 1.00 1.00 C ATOM 159 O ALA A 10 6.839 -12.854 -12.747 1.00 1.00 O ATOM 160 CB ALA A 10 7.767 -13.910 -9.931 1.00 1.00 C ATOM 0 H ALA A 10 10.180 -14.125 -10.305 1.00 1.00 H new ATOM 0 HA ALA A 10 8.052 -14.942 -11.828 1.00 1.00 H new ATOM 0 HB1 ALA A 10 6.679 -13.917 -9.997 1.00 1.00 H new ATOM 0 HB2 ALA A 10 8.099 -14.754 -9.327 1.00 1.00 H new ATOM 0 HB3 ALA A 10 8.097 -12.980 -9.468 1.00 1.00 H new ATOM 166 N LEU A 11 8.673 -11.690 -12.015 1.00 1.00 N ATOM 167 CA LEU A 11 8.339 -10.450 -12.695 1.00 1.00 C ATOM 168 C LEU A 11 8.796 -10.534 -14.153 1.00 1.00 C ATOM 169 O LEU A 11 7.961 -10.329 -15.046 1.00 1.00 O ATOM 170 CB LEU A 11 8.914 -9.252 -11.938 1.00 1.00 C ATOM 171 CG LEU A 11 7.893 -8.252 -11.389 1.00 1.00 C ATOM 172 CD1 LEU A 11 7.600 -8.524 -9.912 1.00 1.00 C ATOM 173 CD2 LEU A 11 8.353 -6.813 -11.627 1.00 1.00 C ATOM 0 H LEU A 11 9.539 -11.652 -11.477 1.00 1.00 H new ATOM 0 HA LEU A 11 7.259 -10.301 -12.707 1.00 1.00 H new ATOM 0 HB2 LEU A 11 9.511 -9.626 -11.106 1.00 1.00 H new ATOM 0 HB3 LEU A 11 9.593 -8.719 -12.603 1.00 1.00 H new ATOM 0 HG LEU A 11 6.958 -8.385 -11.933 1.00 1.00 H new ATOM 0 HD11 LEU A 11 6.872 -7.800 -9.546 1.00 1.00 H new ATOM 0 HD12 LEU A 11 7.198 -9.531 -9.800 1.00 1.00 H new ATOM 0 HD13 LEU A 11 8.521 -8.435 -9.336 1.00 1.00 H new ATOM 0 HD21 LEU A 11 7.610 -6.123 -11.228 1.00 1.00 H new ATOM 0 HD22 LEU A 11 9.307 -6.649 -11.126 1.00 1.00 H new ATOM 0 HD23 LEU A 11 8.470 -6.641 -12.697 1.00 1.00 H new ATOM 185 N ILE A 12 10.092 -10.827 -14.361 1.00 1.00 N ATOM 186 CA ILE A 12 10.652 -10.936 -15.698 1.00 1.00 C ATOM 187 C ILE A 12 9.790 -11.885 -16.532 1.00 1.00 C ATOM 188 O ILE A 12 9.435 -11.521 -17.662 1.00 1.00 O ATOM 189 CB ILE A 12 12.125 -11.342 -15.630 1.00 1.00 C ATOM 190 CG1 ILE A 12 13.018 -10.127 -15.371 1.00 1.00 C ATOM 191 CG2 ILE A 12 12.543 -12.101 -16.891 1.00 1.00 C ATOM 192 CD1 ILE A 12 13.025 -9.759 -13.886 1.00 1.00 C ATOM 0 H ILE A 12 10.764 -10.991 -13.611 1.00 1.00 H new ATOM 0 HA ILE A 12 10.635 -9.968 -16.198 1.00 1.00 H new ATOM 0 HB ILE A 12 12.253 -12.021 -14.787 1.00 1.00 H new ATOM 0 HG12 ILE A 12 14.034 -10.341 -15.701 1.00 1.00 H new ATOM 0 HG13 ILE A 12 12.664 -9.279 -15.958 1.00 1.00 H new ATOM 0 HG21 ILE A 12 13.595 -12.378 -16.817 1.00 1.00 H new ATOM 0 HG22 ILE A 12 11.937 -13.001 -16.992 1.00 1.00 H new ATOM 0 HG23 ILE A 12 12.396 -11.465 -17.764 1.00 1.00 H new ATOM 0 HD11 ILE A 12 13.667 -8.892 -13.729 1.00 1.00 H new ATOM 0 HD12 ILE A 12 12.011 -9.522 -13.565 1.00 1.00 H new ATOM 0 HD13 ILE A 12 13.402 -10.600 -13.304 1.00 1.00 H new ATOM 204 N THR A 13 9.475 -13.065 -15.967 1.00 1.00 N ATOM 205 CA THR A 13 8.662 -14.055 -16.654 1.00 1.00 C ATOM 206 C THR A 13 7.537 -13.347 -17.412 1.00 1.00 C ATOM 207 O THR A 13 7.258 -13.739 -18.555 1.00 1.00 O ATOM 208 CB THR A 13 8.158 -15.071 -15.627 1.00 1.00 C ATOM 209 OG1 THR A 13 7.702 -14.269 -14.541 1.00 1.00 O ATOM 210 CG2 THR A 13 9.290 -15.906 -15.025 1.00 1.00 C ATOM 0 H THR A 13 9.777 -13.346 -15.034 1.00 1.00 H new ATOM 0 HA THR A 13 9.241 -14.604 -17.397 1.00 1.00 H new ATOM 0 HB THR A 13 7.430 -15.732 -16.097 1.00 1.00 H new ATOM 0 HG1 THR A 13 6.770 -14.009 -14.695 1.00 1.00 H new ATOM 0 HG21 THR A 13 8.878 -16.611 -14.303 1.00 1.00 H new ATOM 0 HG22 THR A 13 9.799 -16.455 -15.818 1.00 1.00 H new ATOM 0 HG23 THR A 13 10.001 -15.248 -14.525 1.00 1.00 H new ATOM 218 N MET A 14 6.924 -12.335 -16.772 1.00 1.00 N ATOM 219 CA MET A 14 5.840 -11.583 -17.382 1.00 1.00 C ATOM 220 C MET A 14 6.425 -10.515 -18.308 1.00 1.00 C ATOM 221 O MET A 14 5.830 -10.261 -19.366 1.00 1.00 O ATOM 222 CB MET A 14 4.985 -10.913 -16.305 1.00 1.00 C ATOM 223 CG MET A 14 3.532 -10.779 -16.764 1.00 1.00 C ATOM 224 SD MET A 14 2.533 -10.016 -15.451 1.00 1.00 S ATOM 225 CE MET A 14 2.842 -8.260 -15.800 1.00 1.00 C ATOM 0 H MET A 14 7.170 -12.027 -15.831 1.00 1.00 H new ATOM 0 HA MET A 14 5.212 -12.266 -17.954 1.00 1.00 H new ATOM 0 HB2 MET A 14 5.027 -11.498 -15.386 1.00 1.00 H new ATOM 0 HB3 MET A 14 5.390 -9.927 -16.075 1.00 1.00 H new ATOM 0 HG2 MET A 14 3.482 -10.173 -17.669 1.00 1.00 H new ATOM 0 HG3 MET A 14 3.129 -11.760 -17.015 1.00 1.00 H new ATOM 0 HE1 MET A 14 3.172 -7.761 -14.889 1.00 1.00 H new ATOM 0 HE2 MET A 14 3.615 -8.171 -16.563 1.00 1.00 H new ATOM 0 HE3 MET A 14 1.924 -7.793 -16.157 1.00 1.00 H new ATOM 235 N ALA A 15 7.560 -9.920 -17.899 1.00 1.00 N ATOM 236 CA ALA A 15 8.216 -8.889 -18.687 1.00 1.00 C ATOM 237 C ALA A 15 8.554 -9.449 -20.070 1.00 1.00 C ATOM 238 O ALA A 15 8.569 -8.670 -21.034 1.00 1.00 O ATOM 239 CB ALA A 15 9.549 -8.515 -18.037 1.00 1.00 C ATOM 0 H ALA A 15 8.034 -10.144 -17.024 1.00 1.00 H new ATOM 0 HA ALA A 15 7.551 -8.028 -18.752 1.00 1.00 H new ATOM 0 HB1 ALA A 15 10.039 -7.742 -18.630 1.00 1.00 H new ATOM 0 HB2 ALA A 15 9.370 -8.141 -17.029 1.00 1.00 H new ATOM 0 HB3 ALA A 15 10.190 -9.395 -17.988 1.00 1.00 H new ATOM 245 N ILE A 16 8.816 -10.766 -20.139 1.00 1.00 N ATOM 246 CA ILE A 16 9.151 -11.420 -21.392 1.00 1.00 C ATOM 247 C ILE A 16 7.902 -11.496 -22.272 1.00 1.00 C ATOM 248 O ILE A 16 8.038 -11.393 -23.500 1.00 1.00 O ATOM 249 CB ILE A 16 9.802 -12.780 -21.130 1.00 1.00 C ATOM 250 CG1 ILE A 16 11.050 -12.631 -20.257 1.00 1.00 C ATOM 251 CG2 ILE A 16 10.104 -13.506 -22.443 1.00 1.00 C ATOM 252 CD1 ILE A 16 12.057 -11.675 -20.900 1.00 1.00 C ATOM 0 H ILE A 16 8.799 -11.390 -19.332 1.00 1.00 H new ATOM 0 HA ILE A 16 9.893 -10.838 -21.939 1.00 1.00 H new ATOM 0 HB ILE A 16 9.094 -13.397 -20.577 1.00 1.00 H new ATOM 0 HG12 ILE A 16 10.767 -12.259 -19.272 1.00 1.00 H new ATOM 0 HG13 ILE A 16 11.513 -13.607 -20.108 1.00 1.00 H new ATOM 0 HG21 ILE A 16 10.566 -14.469 -22.228 1.00 1.00 H new ATOM 0 HG22 ILE A 16 9.176 -13.663 -22.994 1.00 1.00 H new ATOM 0 HG23 ILE A 16 10.785 -12.903 -23.044 1.00 1.00 H new ATOM 0 HD11 ILE A 16 12.935 -11.586 -20.260 1.00 1.00 H new ATOM 0 HD12 ILE A 16 12.356 -12.063 -21.874 1.00 1.00 H new ATOM 0 HD13 ILE A 16 11.599 -10.694 -21.025 1.00 1.00 H new ATOM 264 N LEU A 17 6.728 -11.673 -21.639 1.00 1.00 N ATOM 265 CA LEU A 17 5.470 -11.761 -22.360 1.00 1.00 C ATOM 266 C LEU A 17 5.228 -10.455 -23.118 1.00 1.00 C ATOM 267 O LEU A 17 4.573 -10.496 -24.170 1.00 1.00 O ATOM 268 CB LEU A 17 4.333 -12.139 -21.408 1.00 1.00 C ATOM 269 CG LEU A 17 4.117 -13.637 -21.181 1.00 1.00 C ATOM 270 CD1 LEU A 17 5.208 -14.217 -20.279 1.00 1.00 C ATOM 271 CD2 LEU A 17 2.715 -13.912 -20.635 1.00 1.00 C ATOM 0 H LEU A 17 6.637 -11.757 -20.627 1.00 1.00 H new ATOM 0 HA LEU A 17 5.512 -12.557 -23.103 1.00 1.00 H new ATOM 0 HB2 LEU A 17 4.523 -11.669 -20.443 1.00 1.00 H new ATOM 0 HB3 LEU A 17 3.407 -11.713 -21.793 1.00 1.00 H new ATOM 0 HG LEU A 17 4.192 -14.143 -22.143 1.00 1.00 H new ATOM 0 HD11 LEU A 17 5.031 -15.283 -20.133 1.00 1.00 H new ATOM 0 HD12 LEU A 17 6.182 -14.071 -20.746 1.00 1.00 H new ATOM 0 HD13 LEU A 17 5.189 -13.711 -19.314 1.00 1.00 H new ATOM 0 HD21 LEU A 17 2.588 -14.984 -20.483 1.00 1.00 H new ATOM 0 HD22 LEU A 17 2.586 -13.393 -19.685 1.00 1.00 H new ATOM 0 HD23 LEU A 17 1.971 -13.556 -21.347 1.00 1.00 H new ATOM 283 N GLN A 18 5.753 -9.340 -22.579 1.00 1.00 N ATOM 284 CA GLN A 18 5.596 -8.036 -23.201 1.00 1.00 C ATOM 285 C GLN A 18 5.856 -8.158 -24.704 1.00 1.00 C ATOM 286 O GLN A 18 5.306 -7.348 -25.465 1.00 1.00 O ATOM 287 CB GLN A 18 6.521 -6.996 -22.567 1.00 1.00 C ATOM 288 CG GLN A 18 5.852 -6.326 -21.366 1.00 1.00 C ATOM 289 CD GLN A 18 4.958 -5.167 -21.812 1.00 1.00 C ATOM 290 OE1 GLN A 18 4.691 -4.971 -22.986 1.00 1.00 O ATOM 291 NE2 GLN A 18 4.512 -4.411 -20.812 1.00 1.00 N ATOM 0 H GLN A 18 6.289 -9.328 -21.711 1.00 1.00 H new ATOM 0 HA GLN A 18 4.574 -7.692 -23.039 1.00 1.00 H new ATOM 0 HB2 GLN A 18 7.449 -7.474 -22.251 1.00 1.00 H new ATOM 0 HB3 GLN A 18 6.787 -6.241 -23.307 1.00 1.00 H new ATOM 0 HG2 GLN A 18 5.258 -7.059 -20.820 1.00 1.00 H new ATOM 0 HG3 GLN A 18 6.614 -5.958 -20.679 1.00 1.00 H new ATOM 0 HE21 GLN A 18 4.774 -4.630 -19.851 1.00 1.00 H new ATOM 0 HE22 GLN A 18 3.908 -3.612 -21.007 1.00 1.00 H new ATOM 300 N SER A 19 6.674 -9.151 -25.095 1.00 1.00 N ATOM 301 CA SER A 19 7.001 -9.373 -26.493 1.00 1.00 C ATOM 302 C SER A 19 6.143 -10.518 -27.037 1.00 1.00 C ATOM 303 O SER A 19 6.421 -11.677 -26.695 1.00 1.00 O ATOM 304 CB SER A 19 8.487 -9.690 -26.678 1.00 1.00 C ATOM 305 OG SER A 19 9.321 -8.679 -26.119 1.00 1.00 O ATOM 0 H SER A 19 7.116 -9.808 -24.452 1.00 1.00 H new ATOM 0 HA SER A 19 6.790 -8.458 -27.047 1.00 1.00 H new ATOM 0 HB2 SER A 19 8.715 -10.648 -26.210 1.00 1.00 H new ATOM 0 HB3 SER A 19 8.706 -9.794 -27.741 1.00 1.00 H new ATOM 0 HG SER A 19 9.514 -8.001 -26.800 1.00 1.00 H new ATOM 311 N PRO A 20 5.135 -10.177 -27.860 1.00 1.00 N ATOM 312 CA PRO A 20 4.229 -11.140 -28.461 1.00 1.00 C ATOM 313 C PRO A 20 4.912 -11.896 -29.603 1.00 1.00 C ATOM 314 O PRO A 20 4.253 -12.737 -30.231 1.00 1.00 O ATOM 315 CB PRO A 20 3.034 -10.323 -28.922 1.00 1.00 C ATOM 316 CG PRO A 20 3.513 -8.881 -28.982 1.00 1.00 C ATOM 317 CD PRO A 20 4.838 -8.799 -28.241 1.00 1.00 C ATOM 0 HA PRO A 20 3.918 -11.917 -27.762 1.00 1.00 H new ATOM 0 HB2 PRO A 20 2.684 -10.659 -29.898 1.00 1.00 H new ATOM 0 HB3 PRO A 20 2.198 -10.429 -28.230 1.00 1.00 H new ATOM 0 HG2 PRO A 20 3.634 -8.562 -30.017 1.00 1.00 H new ATOM 0 HG3 PRO A 20 2.779 -8.216 -28.527 1.00 1.00 H new ATOM 0 HD2 PRO A 20 5.622 -8.386 -28.876 1.00 1.00 H new ATOM 0 HD3 PRO A 20 4.763 -8.153 -27.366 1.00 1.00 H new ATOM 325 N GLN A 21 6.199 -11.588 -29.844 1.00 1.00 N ATOM 326 CA GLN A 21 6.960 -12.234 -30.900 1.00 1.00 C ATOM 327 C GLN A 21 8.153 -12.970 -30.285 1.00 1.00 C ATOM 328 O GLN A 21 8.037 -14.179 -30.038 1.00 1.00 O ATOM 329 CB GLN A 21 7.422 -11.228 -31.956 1.00 1.00 C ATOM 330 CG GLN A 21 6.683 -11.444 -33.278 1.00 1.00 C ATOM 331 CD GLN A 21 7.038 -12.800 -33.890 1.00 1.00 C ATOM 332 OE1 GLN A 21 6.692 -13.852 -33.378 1.00 1.00 O ATOM 333 NE2 GLN A 21 7.747 -12.718 -35.013 1.00 1.00 N ATOM 0 H GLN A 21 6.725 -10.893 -29.314 1.00 1.00 H new ATOM 0 HA GLN A 21 6.315 -12.952 -31.407 1.00 1.00 H new ATOM 0 HB2 GLN A 21 7.246 -10.213 -31.598 1.00 1.00 H new ATOM 0 HB3 GLN A 21 8.496 -11.329 -32.115 1.00 1.00 H new ATOM 0 HG2 GLN A 21 5.607 -11.387 -33.111 1.00 1.00 H new ATOM 0 HG3 GLN A 21 6.940 -10.648 -33.976 1.00 1.00 H new ATOM 0 HE21 GLN A 21 8.004 -11.805 -35.388 1.00 1.00 H new ATOM 0 HE22 GLN A 21 8.034 -13.568 -35.498 1.00 1.00 H new ATOM 342 N LYS A 22 9.258 -12.238 -30.055 1.00 1.00 N ATOM 343 CA LYS A 22 10.458 -12.818 -29.476 1.00 1.00 C ATOM 344 C LYS A 22 11.563 -11.760 -29.439 1.00 1.00 C ATOM 345 O LYS A 22 12.719 -12.105 -29.726 1.00 1.00 O ATOM 346 CB LYS A 22 10.852 -14.093 -30.223 1.00 1.00 C ATOM 347 CG LYS A 22 11.135 -15.236 -29.247 1.00 1.00 C ATOM 348 CD LYS A 22 10.932 -16.596 -29.920 1.00 1.00 C ATOM 349 CE LYS A 22 12.067 -16.896 -30.901 1.00 1.00 C ATOM 350 NZ LYS A 22 11.622 -16.675 -32.287 1.00 1.00 N ATOM 0 H LYS A 22 9.333 -11.243 -30.266 1.00 1.00 H new ATOM 0 HA LYS A 22 10.274 -13.125 -28.446 1.00 1.00 H new ATOM 0 HB2 LYS A 22 10.051 -14.382 -30.904 1.00 1.00 H new ATOM 0 HB3 LYS A 22 11.736 -13.903 -30.832 1.00 1.00 H new ATOM 0 HG2 LYS A 22 12.157 -15.158 -28.877 1.00 1.00 H new ATOM 0 HG3 LYS A 22 10.476 -15.152 -28.383 1.00 1.00 H new ATOM 0 HD2 LYS A 22 10.885 -17.378 -29.162 1.00 1.00 H new ATOM 0 HD3 LYS A 22 9.978 -16.606 -30.447 1.00 1.00 H new ATOM 0 HE2 LYS A 22 12.923 -16.258 -30.682 1.00 1.00 H new ATOM 0 HE3 LYS A 22 12.398 -17.927 -30.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 12.404 -16.883 -32.940 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 10.819 -17.301 -32.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 11.328 -15.684 -32.403 1.00 1.00 H new ATOM 364 N LYS A 23 11.193 -10.515 -29.092 1.00 1.00 N ATOM 365 CA LYS A 23 12.147 -9.421 -29.020 1.00 1.00 C ATOM 366 C LYS A 23 11.814 -8.539 -27.814 1.00 1.00 C ATOM 367 O LYS A 23 10.791 -7.839 -27.860 1.00 1.00 O ATOM 368 CB LYS A 23 12.190 -8.659 -30.346 1.00 1.00 C ATOM 369 CG LYS A 23 11.242 -7.458 -30.319 1.00 1.00 C ATOM 370 CD LYS A 23 11.087 -6.851 -31.715 1.00 1.00 C ATOM 371 CE LYS A 23 11.605 -5.411 -31.748 1.00 1.00 C ATOM 372 NZ LYS A 23 10.482 -4.460 -31.759 1.00 1.00 N ATOM 0 H LYS A 23 10.235 -10.252 -28.859 1.00 1.00 H new ATOM 0 HA LYS A 23 13.156 -9.804 -28.867 1.00 1.00 H new ATOM 0 HB2 LYS A 23 13.207 -8.320 -30.542 1.00 1.00 H new ATOM 0 HB3 LYS A 23 11.914 -9.326 -31.162 1.00 1.00 H new ATOM 0 HG2 LYS A 23 10.267 -7.768 -29.943 1.00 1.00 H new ATOM 0 HG3 LYS A 23 11.624 -6.704 -29.631 1.00 1.00 H new ATOM 0 HD2 LYS A 23 11.633 -7.454 -32.440 1.00 1.00 H new ATOM 0 HD3 LYS A 23 10.038 -6.871 -32.009 1.00 1.00 H new ATOM 0 HE2 LYS A 23 12.238 -5.226 -30.880 1.00 1.00 H new ATOM 0 HE3 LYS A 23 12.225 -5.261 -32.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 10.851 -3.488 -31.781 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 9.894 -4.627 -32.600 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 9.907 -4.592 -30.903 1.00 1.00 H new ATOM 386 N LEU A 24 12.669 -8.588 -26.778 1.00 1.00 N ATOM 387 CA LEU A 24 12.467 -7.799 -25.574 1.00 1.00 C ATOM 388 C LEU A 24 13.245 -6.488 -25.692 1.00 1.00 C ATOM 389 O LEU A 24 14.438 -6.537 -26.026 1.00 1.00 O ATOM 390 CB LEU A 24 12.825 -8.617 -24.331 1.00 1.00 C ATOM 391 CG LEU A 24 11.658 -9.313 -23.628 1.00 1.00 C ATOM 392 CD1 LEU A 24 10.559 -8.312 -23.267 1.00 1.00 C ATOM 393 CD2 LEU A 24 11.123 -10.473 -24.470 1.00 1.00 C ATOM 0 H LEU A 24 13.506 -9.171 -26.761 1.00 1.00 H new ATOM 0 HA LEU A 24 11.415 -7.537 -25.463 1.00 1.00 H new ATOM 0 HB2 LEU A 24 13.555 -9.374 -24.616 1.00 1.00 H new ATOM 0 HB3 LEU A 24 13.314 -7.957 -23.614 1.00 1.00 H new ATOM 0 HG LEU A 24 12.027 -9.737 -22.694 1.00 1.00 H new ATOM 0 HD11 LEU A 24 9.742 -8.833 -22.769 1.00 1.00 H new ATOM 0 HD12 LEU A 24 10.965 -7.551 -22.600 1.00 1.00 H new ATOM 0 HD13 LEU A 24 10.187 -7.837 -24.175 1.00 1.00 H new ATOM 0 HD21 LEU A 24 10.294 -10.950 -23.947 1.00 1.00 H new ATOM 0 HD22 LEU A 24 10.776 -10.095 -25.432 1.00 1.00 H new ATOM 0 HD23 LEU A 24 11.917 -11.202 -24.632 1.00 1.00 H new ATOM 405 N THR A 25 12.567 -5.358 -25.422 1.00 1.00 N ATOM 406 CA THR A 25 13.191 -4.048 -25.497 1.00 1.00 C ATOM 407 C THR A 25 13.476 -3.542 -24.082 1.00 1.00 C ATOM 408 O THR A 25 12.520 -3.174 -23.383 1.00 1.00 O ATOM 409 CB THR A 25 12.280 -3.119 -26.303 1.00 1.00 C ATOM 410 OG1 THR A 25 11.092 -3.034 -25.521 1.00 1.00 O ATOM 411 CG2 THR A 25 11.816 -3.750 -27.618 1.00 1.00 C ATOM 0 H THR A 25 11.584 -5.338 -25.150 1.00 1.00 H new ATOM 0 HA THR A 25 14.151 -4.089 -26.012 1.00 1.00 H new ATOM 0 HB THR A 25 12.806 -2.188 -26.513 1.00 1.00 H new ATOM 0 HG1 THR A 25 11.259 -3.407 -24.630 1.00 1.00 H new ATOM 0 HG21 THR A 25 11.173 -3.050 -28.151 1.00 1.00 H new ATOM 0 HG22 THR A 25 12.684 -3.987 -28.234 1.00 1.00 H new ATOM 0 HG23 THR A 25 11.261 -4.664 -27.407 1.00 1.00 H new ATOM 419 N LEU A 26 14.764 -3.532 -23.694 1.00 1.00 N ATOM 420 CA LEU A 26 15.167 -3.075 -22.375 1.00 1.00 C ATOM 421 C LEU A 26 14.469 -1.750 -22.064 1.00 1.00 C ATOM 422 O LEU A 26 14.208 -1.484 -20.881 1.00 1.00 O ATOM 423 CB LEU A 26 16.693 -3.004 -22.276 1.00 1.00 C ATOM 424 CG LEU A 26 17.253 -2.034 -21.234 1.00 1.00 C ATOM 425 CD1 LEU A 26 17.201 -2.645 -19.832 1.00 1.00 C ATOM 426 CD2 LEU A 26 18.665 -1.582 -21.610 1.00 1.00 C ATOM 0 H LEU A 26 15.537 -3.838 -24.285 1.00 1.00 H new ATOM 0 HA LEU A 26 14.853 -3.788 -21.612 1.00 1.00 H new ATOM 0 HB2 LEU A 26 17.070 -4.002 -22.053 1.00 1.00 H new ATOM 0 HB3 LEU A 26 17.088 -2.725 -23.253 1.00 1.00 H new ATOM 0 HG LEU A 26 16.623 -1.145 -21.221 1.00 1.00 H new ATOM 0 HD11 LEU A 26 17.605 -1.935 -19.110 1.00 1.00 H new ATOM 0 HD12 LEU A 26 16.168 -2.876 -19.574 1.00 1.00 H new ATOM 0 HD13 LEU A 26 17.793 -3.560 -19.812 1.00 1.00 H new ATOM 0 HD21 LEU A 26 19.040 -0.893 -20.853 1.00 1.00 H new ATOM 0 HD22 LEU A 26 19.322 -2.450 -21.668 1.00 1.00 H new ATOM 0 HD23 LEU A 26 18.641 -1.080 -22.577 1.00 1.00 H new ATOM 438 N SER A 27 14.184 -0.958 -23.113 1.00 1.00 N ATOM 439 CA SER A 27 13.523 0.326 -22.952 1.00 1.00 C ATOM 440 C SER A 27 12.107 0.101 -22.417 1.00 1.00 C ATOM 441 O SER A 27 11.698 0.833 -21.504 1.00 1.00 O ATOM 442 CB SER A 27 13.475 1.101 -24.270 1.00 1.00 C ATOM 443 OG SER A 27 14.777 1.461 -24.724 1.00 1.00 O ATOM 0 H SER A 27 14.407 -1.196 -24.080 1.00 1.00 H new ATOM 0 HA SER A 27 14.095 0.923 -22.242 1.00 1.00 H new ATOM 0 HB2 SER A 27 12.981 0.495 -25.029 1.00 1.00 H new ATOM 0 HB3 SER A 27 12.874 2.001 -24.140 1.00 1.00 H new ATOM 0 HG SER A 27 14.700 2.084 -25.476 1.00 1.00 H new ATOM 449 N GLY A 28 11.398 -0.890 -22.987 1.00 1.00 N ATOM 450 CA GLY A 28 10.042 -1.205 -22.570 1.00 1.00 C ATOM 451 C GLY A 28 10.087 -2.022 -21.277 1.00 1.00 C ATOM 452 O GLY A 28 9.108 -1.979 -20.518 1.00 1.00 O ATOM 0 H GLY A 28 11.753 -1.481 -23.739 1.00 1.00 H new ATOM 0 HA2 GLY A 28 9.475 -0.287 -22.414 1.00 1.00 H new ATOM 0 HA3 GLY A 28 9.530 -1.767 -23.351 1.00 1.00 H new ATOM 456 N ILE A 29 11.205 -2.737 -21.055 1.00 1.00 N ATOM 457 CA ILE A 29 11.372 -3.554 -19.865 1.00 1.00 C ATOM 458 C ILE A 29 11.293 -2.662 -18.625 1.00 1.00 C ATOM 459 O ILE A 29 10.442 -2.927 -17.762 1.00 1.00 O ATOM 460 CB ILE A 29 12.663 -4.371 -19.954 1.00 1.00 C ATOM 461 CG1 ILE A 29 12.460 -5.627 -20.802 1.00 1.00 C ATOM 462 CG2 ILE A 29 13.200 -4.701 -18.559 1.00 1.00 C ATOM 463 CD1 ILE A 29 11.628 -6.668 -20.050 1.00 1.00 C ATOM 0 H ILE A 29 12.001 -2.758 -21.693 1.00 1.00 H new ATOM 0 HA ILE A 29 10.565 -4.283 -19.786 1.00 1.00 H new ATOM 0 HB ILE A 29 13.418 -3.764 -20.454 1.00 1.00 H new ATOM 0 HG12 ILE A 29 11.962 -5.363 -21.735 1.00 1.00 H new ATOM 0 HG13 ILE A 29 13.428 -6.052 -21.066 1.00 1.00 H new ATOM 0 HG21 ILE A 29 14.118 -5.282 -18.650 1.00 1.00 H new ATOM 0 HG22 ILE A 29 13.408 -3.776 -18.021 1.00 1.00 H new ATOM 0 HG23 ILE A 29 12.457 -5.280 -18.011 1.00 1.00 H new ATOM 0 HD11 ILE A 29 11.499 -7.551 -20.676 1.00 1.00 H new ATOM 0 HD12 ILE A 29 12.140 -6.947 -19.129 1.00 1.00 H new ATOM 0 HD13 ILE A 29 10.652 -6.248 -19.809 1.00 1.00 H new ATOM 475 N CYS A 30 12.165 -1.641 -18.560 1.00 1.00 N ATOM 476 CA CYS A 30 12.193 -0.721 -17.435 1.00 1.00 C ATOM 477 C CYS A 30 10.895 0.089 -17.413 1.00 1.00 C ATOM 478 O CYS A 30 10.356 0.309 -16.318 1.00 1.00 O ATOM 479 CB CYS A 30 13.428 0.180 -17.489 1.00 1.00 C ATOM 480 SG CYS A 30 13.330 1.670 -16.453 1.00 1.00 S ATOM 0 H CYS A 30 12.858 -1.441 -19.281 1.00 1.00 H new ATOM 0 HA CYS A 30 12.263 -1.288 -16.507 1.00 1.00 H new ATOM 0 HB2 CYS A 30 14.298 -0.401 -17.184 1.00 1.00 H new ATOM 0 HB3 CYS A 30 13.594 0.483 -18.523 1.00 1.00 H new ATOM 0 HG CYS A 30 14.428 2.356 -16.574 1.00 1.00 H new ATOM 486 N GLU A 31 10.427 0.510 -18.601 1.00 1.00 N ATOM 487 CA GLU A 31 9.206 1.288 -18.716 1.00 1.00 C ATOM 488 C GLU A 31 8.021 0.440 -18.249 1.00 1.00 C ATOM 489 O GLU A 31 7.119 0.993 -17.602 1.00 1.00 O ATOM 490 CB GLU A 31 8.991 1.789 -20.146 1.00 1.00 C ATOM 491 CG GLU A 31 7.622 2.457 -20.294 1.00 1.00 C ATOM 492 CD GLU A 31 7.608 3.421 -21.481 1.00 1.00 C ATOM 493 OE1 GLU A 31 8.355 4.464 -21.346 1.00 1.00 O ATOM 494 OE2 GLU A 31 6.910 3.171 -22.475 1.00 1.00 O ATOM 0 H GLU A 31 10.886 0.318 -19.491 1.00 1.00 H new ATOM 0 HA GLU A 31 9.292 2.169 -18.080 1.00 1.00 H new ATOM 0 HB2 GLU A 31 9.776 2.498 -20.408 1.00 1.00 H new ATOM 0 HB3 GLU A 31 9.070 0.955 -20.843 1.00 1.00 H new ATOM 0 HG2 GLU A 31 6.855 1.695 -20.431 1.00 1.00 H new ATOM 0 HG3 GLU A 31 7.376 2.997 -19.380 1.00 1.00 H new ATOM 501 N PHE A 32 8.045 -0.863 -18.580 1.00 1.00 N ATOM 502 CA PHE A 32 6.980 -1.775 -18.196 1.00 1.00 C ATOM 503 C PHE A 32 6.871 -1.811 -16.671 1.00 1.00 C ATOM 504 O PHE A 32 5.780 -1.532 -16.151 1.00 1.00 O ATOM 505 CB PHE A 32 7.287 -3.177 -18.756 1.00 1.00 C ATOM 506 CG PHE A 32 6.859 -4.328 -17.855 1.00 1.00 C ATOM 507 CD1 PHE A 32 5.489 -4.536 -17.574 1.00 1.00 C ATOM 508 CD2 PHE A 32 7.826 -5.198 -17.299 1.00 1.00 C ATOM 509 CE1 PHE A 32 5.089 -5.605 -16.743 1.00 1.00 C ATOM 510 CE2 PHE A 32 7.425 -6.266 -16.468 1.00 1.00 C ATOM 511 CZ PHE A 32 6.057 -6.469 -16.190 1.00 1.00 C ATOM 0 H PHE A 32 8.797 -1.298 -19.114 1.00 1.00 H new ATOM 0 HA PHE A 32 6.028 -1.436 -18.605 1.00 1.00 H new ATOM 0 HB2 PHE A 32 6.792 -3.285 -19.721 1.00 1.00 H new ATOM 0 HB3 PHE A 32 8.359 -3.254 -18.938 1.00 1.00 H new ATOM 0 HD1 PHE A 32 4.746 -3.875 -17.996 1.00 1.00 H new ATOM 0 HD2 PHE A 32 8.874 -5.045 -17.511 1.00 1.00 H new ATOM 0 HE1 PHE A 32 4.042 -5.761 -16.531 1.00 1.00 H new ATOM 0 HE2 PHE A 32 8.166 -6.928 -16.045 1.00 1.00 H new ATOM 0 HZ PHE A 32 5.751 -7.286 -15.554 1.00 1.00 H new ATOM 521 N ILE A 33 7.984 -2.148 -15.995 1.00 1.00 N ATOM 522 CA ILE A 33 8.012 -2.218 -14.544 1.00 1.00 C ATOM 523 C ILE A 33 7.809 -0.817 -13.965 1.00 1.00 C ATOM 524 O ILE A 33 7.543 -0.710 -12.759 1.00 1.00 O ATOM 525 CB ILE A 33 9.295 -2.901 -14.066 1.00 1.00 C ATOM 526 CG1 ILE A 33 9.211 -4.418 -14.250 1.00 1.00 C ATOM 527 CG2 ILE A 33 9.615 -2.517 -12.620 1.00 1.00 C ATOM 528 CD1 ILE A 33 10.527 -4.978 -14.794 1.00 1.00 C ATOM 0 H ILE A 33 8.872 -2.375 -16.442 1.00 1.00 H new ATOM 0 HA ILE A 33 7.193 -2.836 -14.177 1.00 1.00 H new ATOM 0 HB ILE A 33 10.120 -2.547 -14.684 1.00 1.00 H new ATOM 0 HG12 ILE A 33 8.977 -4.891 -13.296 1.00 1.00 H new ATOM 0 HG13 ILE A 33 8.398 -4.660 -14.934 1.00 1.00 H new ATOM 0 HG21 ILE A 33 10.531 -3.016 -12.305 1.00 1.00 H new ATOM 0 HG22 ILE A 33 9.748 -1.437 -12.551 1.00 1.00 H new ATOM 0 HG23 ILE A 33 8.794 -2.824 -11.972 1.00 1.00 H new ATOM 0 HD11 ILE A 33 10.440 -6.058 -14.915 1.00 1.00 H new ATOM 0 HD12 ILE A 33 10.746 -4.521 -15.759 1.00 1.00 H new ATOM 0 HD13 ILE A 33 11.334 -4.755 -14.096 1.00 1.00 H new ATOM 540 N SER A 34 7.935 0.213 -14.821 1.00 1.00 N ATOM 541 CA SER A 34 7.766 1.592 -14.398 1.00 1.00 C ATOM 542 C SER A 34 6.276 1.937 -14.380 1.00 1.00 C ATOM 543 O SER A 34 5.837 2.608 -13.435 1.00 1.00 O ATOM 544 CB SER A 34 8.524 2.556 -15.313 1.00 1.00 C ATOM 545 OG SER A 34 8.208 3.917 -15.033 1.00 1.00 O ATOM 0 H SER A 34 8.154 0.103 -15.811 1.00 1.00 H new ATOM 0 HA SER A 34 8.180 1.699 -13.395 1.00 1.00 H new ATOM 0 HB2 SER A 34 9.596 2.401 -15.194 1.00 1.00 H new ATOM 0 HB3 SER A 34 8.283 2.334 -16.353 1.00 1.00 H new ATOM 0 HG SER A 34 8.713 4.501 -15.637 1.00 1.00 H new ATOM 551 N ASN A 35 5.540 1.480 -15.409 1.00 1.00 N ATOM 552 CA ASN A 35 4.114 1.738 -15.511 1.00 1.00 C ATOM 553 C ASN A 35 3.353 0.725 -14.653 1.00 1.00 C ATOM 554 O ASN A 35 2.243 1.046 -14.205 1.00 1.00 O ATOM 555 CB ASN A 35 3.629 1.593 -16.955 1.00 1.00 C ATOM 556 CG ASN A 35 4.166 0.307 -17.587 1.00 1.00 C ATOM 557 OD1 ASN A 35 5.045 0.320 -18.433 1.00 1.00 O ATOM 558 ND2 ASN A 35 3.590 -0.801 -17.130 1.00 1.00 N ATOM 0 H ASN A 35 5.922 0.929 -16.178 1.00 1.00 H new ATOM 0 HA ASN A 35 3.932 2.757 -15.170 1.00 1.00 H new ATOM 0 HB2 ASN A 35 2.539 1.586 -16.977 1.00 1.00 H new ATOM 0 HB3 ASN A 35 3.954 2.453 -17.540 1.00 1.00 H new ATOM 0 HD21 ASN A 35 3.879 -1.711 -17.489 1.00 1.00 H new ATOM 0 HD22 ASN A 35 2.860 -0.741 -16.421 1.00 1.00 H new ATOM 565 N ARG A 36 3.956 -0.460 -14.445 1.00 1.00 N ATOM 566 CA ARG A 36 3.340 -1.507 -13.648 1.00 1.00 C ATOM 567 C ARG A 36 3.599 -1.234 -12.165 1.00 1.00 C ATOM 568 O ARG A 36 2.664 -1.388 -11.365 1.00 1.00 O ATOM 569 CB ARG A 36 3.892 -2.888 -14.009 1.00 1.00 C ATOM 570 CG ARG A 36 3.428 -3.944 -13.004 1.00 1.00 C ATOM 571 CD ARG A 36 1.901 -3.974 -12.906 1.00 1.00 C ATOM 572 NE ARG A 36 1.482 -4.861 -11.797 1.00 1.00 N ATOM 573 CZ ARG A 36 1.218 -6.177 -11.940 1.00 1.00 C ATOM 574 NH1 ARG A 36 1.336 -6.736 -13.152 1.00 1.00 N ATOM 575 NH2 ARG A 36 0.844 -6.914 -10.885 1.00 1.00 N ATOM 0 H ARG A 36 4.871 -0.705 -14.824 1.00 1.00 H new ATOM 0 HA ARG A 36 2.270 -1.503 -13.855 1.00 1.00 H new ATOM 0 HB2 ARG A 36 3.563 -3.165 -15.011 1.00 1.00 H new ATOM 0 HB3 ARG A 36 4.981 -2.854 -14.029 1.00 1.00 H new ATOM 0 HG2 ARG A 36 3.796 -4.925 -13.306 1.00 1.00 H new ATOM 0 HG3 ARG A 36 3.855 -3.731 -12.024 1.00 1.00 H new ATOM 0 HD2 ARG A 36 1.519 -2.967 -12.741 1.00 1.00 H new ATOM 0 HD3 ARG A 36 1.475 -4.326 -13.845 1.00 1.00 H new ATOM 0 HE ARG A 36 1.387 -4.452 -10.867 1.00 1.00 H new ATOM 0 HH11 ARG A 36 1.622 -6.168 -13.950 1.00 1.00 H new ATOM 0 HH12 ARG A 36 1.140 -7.729 -13.277 1.00 1.00 H new ATOM 0 HH21 ARG A 36 0.757 -6.481 -9.966 1.00 1.00 H new ATOM 0 HH22 ARG A 36 0.646 -7.908 -11.002 1.00 1.00 H new ATOM 589 N PHE A 37 4.841 -0.839 -11.834 1.00 1.00 N ATOM 590 CA PHE A 37 5.215 -0.547 -10.460 1.00 1.00 C ATOM 591 C PHE A 37 5.900 0.820 -10.402 1.00 1.00 C ATOM 592 O PHE A 37 7.137 0.863 -10.468 1.00 1.00 O ATOM 593 CB PHE A 37 6.157 -1.653 -9.946 1.00 1.00 C ATOM 594 CG PHE A 37 5.861 -3.044 -10.490 1.00 1.00 C ATOM 595 CD1 PHE A 37 6.305 -3.409 -11.781 1.00 1.00 C ATOM 596 CD2 PHE A 37 5.146 -3.980 -9.706 1.00 1.00 C ATOM 597 CE1 PHE A 37 6.036 -4.699 -12.286 1.00 1.00 C ATOM 598 CE2 PHE A 37 4.877 -5.270 -10.212 1.00 1.00 C ATOM 599 CZ PHE A 37 5.321 -5.630 -11.502 1.00 1.00 C ATOM 0 H PHE A 37 5.596 -0.718 -12.509 1.00 1.00 H new ATOM 0 HA PHE A 37 4.329 -0.519 -9.826 1.00 1.00 H new ATOM 0 HB2 PHE A 37 7.182 -1.387 -10.204 1.00 1.00 H new ATOM 0 HB3 PHE A 37 6.100 -1.683 -8.858 1.00 1.00 H new ATOM 0 HD1 PHE A 37 6.852 -2.698 -12.383 1.00 1.00 H new ATOM 0 HD2 PHE A 37 4.805 -3.707 -8.718 1.00 1.00 H new ATOM 0 HE1 PHE A 37 6.377 -4.974 -13.273 1.00 1.00 H new ATOM 0 HE2 PHE A 37 4.331 -5.982 -9.611 1.00 1.00 H new ATOM 0 HZ PHE A 37 5.114 -6.617 -11.889 1.00 1.00 H new ATOM 609 N PRO A 38 5.095 1.891 -10.282 1.00 1.00 N ATOM 610 CA PRO A 38 5.584 3.257 -10.213 1.00 1.00 C ATOM 611 C PRO A 38 6.193 3.553 -8.841 1.00 1.00 C ATOM 612 O PRO A 38 7.259 4.184 -8.792 1.00 1.00 O ATOM 613 CB PRO A 38 4.376 4.124 -10.527 1.00 1.00 C ATOM 614 CG PRO A 38 3.160 3.241 -10.302 1.00 1.00 C ATOM 615 CD PRO A 38 3.640 1.802 -10.208 1.00 1.00 C ATOM 0 HA PRO A 38 6.391 3.451 -10.920 1.00 1.00 H new ATOM 0 HB2 PRO A 38 4.346 5.001 -9.881 1.00 1.00 H new ATOM 0 HB3 PRO A 38 4.411 4.486 -11.555 1.00 1.00 H new ATOM 0 HG2 PRO A 38 2.642 3.531 -9.388 1.00 1.00 H new ATOM 0 HG3 PRO A 38 2.450 3.354 -11.121 1.00 1.00 H new ATOM 0 HD2 PRO A 38 3.319 1.337 -9.276 1.00 1.00 H new ATOM 0 HD3 PRO A 38 3.238 1.197 -11.021 1.00 1.00 H new ATOM 623 N TYR A 39 5.515 3.100 -7.771 1.00 1.00 N ATOM 624 CA TYR A 39 6.037 3.352 -6.439 1.00 1.00 C ATOM 625 C TYR A 39 7.377 2.632 -6.277 1.00 1.00 C ATOM 626 O TYR A 39 8.217 3.131 -5.514 1.00 1.00 O ATOM 627 CB TYR A 39 5.015 2.907 -5.377 1.00 1.00 C ATOM 628 CG TYR A 39 4.257 1.633 -5.725 1.00 1.00 C ATOM 629 CD1 TYR A 39 4.809 0.372 -5.404 1.00 1.00 C ATOM 630 CD2 TYR A 39 2.997 1.702 -6.363 1.00 1.00 C ATOM 631 CE1 TYR A 39 4.108 -0.811 -5.721 1.00 1.00 C ATOM 632 CE2 TYR A 39 2.296 0.519 -6.681 1.00 1.00 C ATOM 633 CZ TYR A 39 2.852 -0.739 -6.360 1.00 1.00 C ATOM 634 OH TYR A 39 2.178 -1.887 -6.667 1.00 1.00 O ATOM 0 H TYR A 39 4.639 2.579 -7.808 1.00 1.00 H new ATOM 0 HA TYR A 39 6.205 4.420 -6.300 1.00 1.00 H new ATOM 0 HB2 TYR A 39 5.535 2.758 -4.431 1.00 1.00 H new ATOM 0 HB3 TYR A 39 4.296 3.712 -5.223 1.00 1.00 H new ATOM 0 HD1 TYR A 39 5.770 0.314 -4.915 1.00 1.00 H new ATOM 0 HD2 TYR A 39 2.570 2.663 -6.608 1.00 1.00 H new ATOM 0 HE1 TYR A 39 4.533 -1.773 -5.474 1.00 1.00 H new ATOM 0 HE2 TYR A 39 1.335 0.576 -7.170 1.00 1.00 H new ATOM 0 HH TYR A 39 1.330 -1.662 -7.103 1.00 1.00 H new ATOM 644 N TYR A 40 7.547 1.494 -6.973 1.00 1.00 N ATOM 645 CA TYR A 40 8.795 0.762 -6.846 1.00 1.00 C ATOM 646 C TYR A 40 9.918 1.555 -7.518 1.00 1.00 C ATOM 647 O TYR A 40 10.956 1.758 -6.872 1.00 1.00 O ATOM 648 CB TYR A 40 8.647 -0.646 -7.450 1.00 1.00 C ATOM 649 CG TYR A 40 8.813 -1.783 -6.450 1.00 1.00 C ATOM 650 CD1 TYR A 40 9.912 -1.788 -5.561 1.00 1.00 C ATOM 651 CD2 TYR A 40 7.869 -2.834 -6.399 1.00 1.00 C ATOM 652 CE1 TYR A 40 10.068 -2.837 -4.631 1.00 1.00 C ATOM 653 CE2 TYR A 40 8.024 -3.883 -5.469 1.00 1.00 C ATOM 654 CZ TYR A 40 9.125 -3.886 -4.584 1.00 1.00 C ATOM 655 OH TYR A 40 9.281 -4.901 -3.682 1.00 1.00 O ATOM 0 H TYR A 40 6.858 1.083 -7.603 1.00 1.00 H new ATOM 0 HA TYR A 40 9.049 0.639 -5.793 1.00 1.00 H new ATOM 0 HB2 TYR A 40 7.664 -0.727 -7.913 1.00 1.00 H new ATOM 0 HB3 TYR A 40 9.384 -0.766 -8.244 1.00 1.00 H new ATOM 0 HD1 TYR A 40 10.635 -0.986 -5.594 1.00 1.00 H new ATOM 0 HD2 TYR A 40 7.026 -2.834 -7.074 1.00 1.00 H new ATOM 0 HE1 TYR A 40 10.910 -2.837 -3.954 1.00 1.00 H new ATOM 0 HE2 TYR A 40 7.301 -4.684 -5.433 1.00 1.00 H new ATOM 0 HH TYR A 40 8.546 -5.541 -3.780 1.00 1.00 H new ATOM 665 N ARG A 41 9.700 1.972 -8.778 1.00 1.00 N ATOM 666 CA ARG A 41 10.695 2.725 -9.523 1.00 1.00 C ATOM 667 C ARG A 41 10.931 4.071 -8.834 1.00 1.00 C ATOM 668 O ARG A 41 11.986 4.677 -9.070 1.00 1.00 O ATOM 669 CB ARG A 41 10.253 2.970 -10.967 1.00 1.00 C ATOM 670 CG ARG A 41 11.285 3.809 -11.722 1.00 1.00 C ATOM 671 CD ARG A 41 11.688 3.133 -13.034 1.00 1.00 C ATOM 672 NE ARG A 41 11.884 4.152 -14.090 1.00 1.00 N ATOM 673 CZ ARG A 41 12.985 4.925 -14.200 1.00 1.00 C ATOM 674 NH1 ARG A 41 13.974 4.777 -13.309 1.00 1.00 N ATOM 675 NH2 ARG A 41 13.086 5.827 -15.186 1.00 1.00 N ATOM 0 H ARG A 41 8.838 1.794 -9.293 1.00 1.00 H new ATOM 0 HA ARG A 41 11.614 2.140 -9.544 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.113 2.016 -11.475 1.00 1.00 H new ATOM 0 HB3 ARG A 41 9.289 3.479 -10.975 1.00 1.00 H new ATOM 0 HG2 ARG A 41 10.874 4.797 -11.929 1.00 1.00 H new ATOM 0 HG3 ARG A 41 12.167 3.955 -11.098 1.00 1.00 H new ATOM 0 HD2 ARG A 41 12.606 2.563 -12.892 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.918 2.425 -13.339 1.00 1.00 H new ATOM 0 HE ARG A 41 11.141 4.278 -14.777 1.00 1.00 H new ATOM 0 HH11 ARG A 41 13.888 4.088 -12.562 1.00 1.00 H new ATOM 0 HH12 ARG A 41 14.813 5.353 -13.378 1.00 1.00 H new ATOM 0 HH21 ARG A 41 12.328 5.933 -15.860 1.00 1.00 H new ATOM 0 HH22 ARG A 41 13.921 6.408 -15.263 1.00 1.00 H new ATOM 689 N GLU A 42 9.960 4.504 -8.011 1.00 1.00 N ATOM 690 CA GLU A 42 10.061 5.766 -7.297 1.00 1.00 C ATOM 691 C GLU A 42 10.882 5.561 -6.022 1.00 1.00 C ATOM 692 O GLU A 42 11.492 6.532 -5.550 1.00 1.00 O ATOM 693 CB GLU A 42 8.681 6.342 -6.974 1.00 1.00 C ATOM 694 CG GLU A 42 8.798 7.754 -6.397 1.00 1.00 C ATOM 695 CD GLU A 42 9.352 8.728 -7.438 1.00 1.00 C ATOM 696 OE1 GLU A 42 8.988 8.645 -8.621 1.00 1.00 O ATOM 697 OE2 GLU A 42 10.189 9.597 -6.982 1.00 1.00 O ATOM 0 H GLU A 42 9.098 3.989 -7.831 1.00 1.00 H new ATOM 0 HA GLU A 42 10.565 6.490 -7.937 1.00 1.00 H new ATOM 0 HB2 GLU A 42 8.071 6.364 -7.877 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.171 5.695 -6.261 1.00 1.00 H new ATOM 0 HG2 GLU A 42 7.819 8.095 -6.060 1.00 1.00 H new ATOM 0 HG3 GLU A 42 9.450 7.741 -5.523 1.00 1.00 H new ATOM 704 N LYS A 43 10.881 4.322 -5.498 1.00 1.00 N ATOM 705 CA LYS A 43 11.620 3.996 -4.290 1.00 1.00 C ATOM 706 C LYS A 43 12.830 3.134 -4.654 1.00 1.00 C ATOM 707 O LYS A 43 13.470 2.599 -3.737 1.00 1.00 O ATOM 708 CB LYS A 43 10.696 3.353 -3.254 1.00 1.00 C ATOM 709 CG LYS A 43 10.634 1.836 -3.442 1.00 1.00 C ATOM 710 CD LYS A 43 9.737 1.188 -2.384 1.00 1.00 C ATOM 711 CE LYS A 43 10.449 0.018 -1.703 1.00 1.00 C ATOM 712 NZ LYS A 43 11.395 0.511 -0.688 1.00 1.00 N ATOM 0 H LYS A 43 10.372 3.536 -5.902 1.00 1.00 H new ATOM 0 HA LYS A 43 12.004 4.903 -3.822 1.00 1.00 H new ATOM 0 HB2 LYS A 43 11.052 3.584 -2.250 1.00 1.00 H new ATOM 0 HB3 LYS A 43 9.695 3.775 -3.342 1.00 1.00 H new ATOM 0 HG2 LYS A 43 10.254 1.605 -4.437 1.00 1.00 H new ATOM 0 HG3 LYS A 43 11.638 1.417 -3.379 1.00 1.00 H new ATOM 0 HD2 LYS A 43 9.454 1.930 -1.638 1.00 1.00 H new ATOM 0 HD3 LYS A 43 8.816 0.837 -2.849 1.00 1.00 H new ATOM 0 HE2 LYS A 43 9.716 -0.640 -1.236 1.00 1.00 H new ATOM 0 HE3 LYS A 43 10.981 -0.575 -2.447 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 11.870 -0.296 -0.235 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 12.105 1.120 -1.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 10.879 1.057 0.031 1.00 1.00 H new ATOM 726 N PHE A 44 13.115 3.019 -5.963 1.00 1.00 N ATOM 727 CA PHE A 44 14.238 2.229 -6.440 1.00 1.00 C ATOM 728 C PHE A 44 14.216 2.192 -7.969 1.00 1.00 C ATOM 729 O PHE A 44 13.816 1.160 -8.528 1.00 1.00 O ATOM 730 CB PHE A 44 14.142 0.806 -5.856 1.00 1.00 C ATOM 731 CG PHE A 44 15.306 -0.107 -6.216 1.00 1.00 C ATOM 732 CD1 PHE A 44 16.605 0.164 -5.727 1.00 1.00 C ATOM 733 CD2 PHE A 44 15.094 -1.231 -7.048 1.00 1.00 C ATOM 734 CE1 PHE A 44 17.682 -0.682 -6.066 1.00 1.00 C ATOM 735 CE2 PHE A 44 16.172 -2.077 -7.386 1.00 1.00 C ATOM 736 CZ PHE A 44 17.466 -1.803 -6.895 1.00 1.00 C ATOM 0 H PHE A 44 12.575 3.469 -6.702 1.00 1.00 H new ATOM 0 HA PHE A 44 15.178 2.676 -6.116 1.00 1.00 H new ATOM 0 HB2 PHE A 44 14.075 0.877 -4.770 1.00 1.00 H new ATOM 0 HB3 PHE A 44 13.216 0.347 -6.203 1.00 1.00 H new ATOM 0 HD1 PHE A 44 16.773 1.021 -5.092 1.00 1.00 H new ATOM 0 HD2 PHE A 44 14.105 -1.442 -7.426 1.00 1.00 H new ATOM 0 HE1 PHE A 44 18.673 -0.471 -5.691 1.00 1.00 H new ATOM 0 HE2 PHE A 44 16.006 -2.935 -8.021 1.00 1.00 H new ATOM 0 HZ PHE A 44 18.291 -2.451 -7.154 1.00 1.00 H new ATOM 746 N PRO A 45 14.640 3.299 -8.605 1.00 1.00 N ATOM 747 CA PRO A 45 14.682 3.426 -10.052 1.00 1.00 C ATOM 748 C PRO A 45 15.854 2.635 -10.637 1.00 1.00 C ATOM 749 O PRO A 45 16.094 2.747 -11.849 1.00 1.00 O ATOM 750 CB PRO A 45 14.785 4.920 -10.312 1.00 1.00 C ATOM 751 CG PRO A 45 15.264 5.539 -9.008 1.00 1.00 C ATOM 752 CD PRO A 45 15.104 4.497 -7.912 1.00 1.00 C ATOM 0 HA PRO A 45 13.799 3.011 -10.537 1.00 1.00 H new ATOM 0 HB2 PRO A 45 15.483 5.128 -11.123 1.00 1.00 H new ATOM 0 HB3 PRO A 45 13.820 5.332 -10.609 1.00 1.00 H new ATOM 0 HG2 PRO A 45 16.306 5.848 -9.092 1.00 1.00 H new ATOM 0 HG3 PRO A 45 14.685 6.432 -8.774 1.00 1.00 H new ATOM 0 HD2 PRO A 45 16.047 4.316 -7.397 1.00 1.00 H new ATOM 0 HD3 PRO A 45 14.386 4.822 -7.159 1.00 1.00 H new ATOM 760 N ALA A 46 16.548 1.864 -9.781 1.00 1.00 N ATOM 761 CA ALA A 46 17.682 1.064 -10.212 1.00 1.00 C ATOM 762 C ALA A 46 17.180 -0.282 -10.738 1.00 1.00 C ATOM 763 O ALA A 46 17.949 -1.254 -10.702 1.00 1.00 O ATOM 764 CB ALA A 46 18.575 0.749 -9.010 1.00 1.00 C ATOM 0 H ALA A 46 16.334 1.786 -8.787 1.00 1.00 H new ATOM 0 HA ALA A 46 18.226 1.618 -10.977 1.00 1.00 H new ATOM 0 HB1 ALA A 46 19.425 0.149 -9.335 1.00 1.00 H new ATOM 0 HB2 ALA A 46 18.935 1.679 -8.570 1.00 1.00 H new ATOM 0 HB3 ALA A 46 18.002 0.194 -8.267 1.00 1.00 H new ATOM 770 N TRP A 47 15.920 -0.313 -11.209 1.00 1.00 N ATOM 771 CA TRP A 47 15.325 -1.529 -11.736 1.00 1.00 C ATOM 772 C TRP A 47 16.006 -1.893 -13.058 1.00 1.00 C ATOM 773 O TRP A 47 16.535 -3.009 -13.161 1.00 1.00 O ATOM 774 CB TRP A 47 13.810 -1.363 -11.870 1.00 1.00 C ATOM 775 CG TRP A 47 13.045 -1.553 -10.559 1.00 1.00 C ATOM 776 CD1 TRP A 47 12.458 -0.615 -9.803 1.00 1.00 C ATOM 777 CD2 TRP A 47 12.807 -2.801 -9.875 1.00 1.00 C ATOM 778 NE1 TRP A 47 11.861 -1.165 -8.687 1.00 1.00 N ATOM 779 CE2 TRP A 47 12.080 -2.537 -8.732 1.00 1.00 C ATOM 780 CE3 TRP A 47 13.193 -4.111 -10.212 1.00 1.00 C ATOM 781 CZ2 TRP A 47 11.677 -3.532 -7.834 1.00 1.00 C ATOM 782 CZ3 TRP A 47 12.782 -5.093 -9.304 1.00 1.00 C ATOM 783 CH2 TRP A 47 12.050 -4.844 -8.149 1.00 1.00 C ATOM 0 H TRP A 47 15.303 0.499 -11.230 1.00 1.00 H new ATOM 0 HA TRP A 47 15.484 -2.358 -11.047 1.00 1.00 H new ATOM 0 HB2 TRP A 47 13.597 -0.369 -12.262 1.00 1.00 H new ATOM 0 HB3 TRP A 47 13.440 -2.080 -12.602 1.00 1.00 H new ATOM 0 HD1 TRP A 47 12.453 0.439 -10.038 1.00 1.00 H new ATOM 0 HE1 TRP A 47 11.353 -0.658 -7.962 1.00 1.00 H new ATOM 0 HE3 TRP A 47 13.762 -4.341 -11.101 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 11.109 -3.300 -6.945 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 13.053 -6.117 -9.516 1.00 1.00 H new ATOM 0 HH2 TRP A 47 11.770 -5.659 -7.498 1.00 1.00 H new ATOM 794 N GLN A 48 15.979 -0.959 -14.026 1.00 1.00 N ATOM 795 CA GLN A 48 16.588 -1.181 -15.326 1.00 1.00 C ATOM 796 C GLN A 48 17.990 -1.763 -15.135 1.00 1.00 C ATOM 797 O GLN A 48 18.458 -2.482 -16.030 1.00 1.00 O ATOM 798 CB GLN A 48 16.637 0.107 -16.150 1.00 1.00 C ATOM 799 CG GLN A 48 17.703 1.063 -15.611 1.00 1.00 C ATOM 800 CD GLN A 48 18.941 1.067 -16.510 1.00 1.00 C ATOM 801 OE1 GLN A 48 19.955 0.455 -16.216 1.00 1.00 O ATOM 802 NE2 GLN A 48 18.803 1.790 -17.618 1.00 1.00 N ATOM 0 H GLN A 48 15.538 -0.045 -13.920 1.00 1.00 H new ATOM 0 HA GLN A 48 15.976 -1.891 -15.882 1.00 1.00 H new ATOM 0 HB2 GLN A 48 16.851 -0.132 -17.192 1.00 1.00 H new ATOM 0 HB3 GLN A 48 15.662 0.594 -16.128 1.00 1.00 H new ATOM 0 HG2 GLN A 48 17.293 2.071 -15.546 1.00 1.00 H new ATOM 0 HG3 GLN A 48 17.984 0.767 -14.600 1.00 1.00 H new ATOM 0 HE21 GLN A 48 17.926 2.278 -17.803 1.00 1.00 H new ATOM 0 HE22 GLN A 48 19.574 1.857 -18.283 1.00 1.00 H new ATOM 811 N ASN A 49 18.623 -1.446 -13.991 1.00 1.00 N ATOM 812 CA ASN A 49 19.958 -1.934 -13.688 1.00 1.00 C ATOM 813 C ASN A 49 19.861 -3.352 -13.120 1.00 1.00 C ATOM 814 O ASN A 49 20.558 -4.241 -13.632 1.00 1.00 O ATOM 815 CB ASN A 49 20.643 -1.052 -12.642 1.00 1.00 C ATOM 816 CG ASN A 49 22.051 -1.564 -12.331 1.00 1.00 C ATOM 817 OD1 ASN A 49 22.945 -1.540 -13.160 1.00 1.00 O ATOM 818 ND2 ASN A 49 22.196 -2.028 -11.093 1.00 1.00 N ATOM 0 H ASN A 49 18.220 -0.852 -13.267 1.00 1.00 H new ATOM 0 HA ASN A 49 20.540 -1.919 -14.610 1.00 1.00 H new ATOM 0 HB2 ASN A 49 20.697 -0.026 -13.006 1.00 1.00 H new ATOM 0 HB3 ASN A 49 20.048 -1.036 -11.729 1.00 1.00 H new ATOM 0 HD21 ASN A 49 23.098 -2.393 -10.788 1.00 1.00 H new ATOM 0 HD22 ASN A 49 21.405 -2.019 -10.449 1.00 1.00 H new ATOM 825 N SER A 50 19.014 -3.532 -12.092 1.00 1.00 N ATOM 826 CA SER A 50 18.830 -4.830 -11.463 1.00 1.00 C ATOM 827 C SER A 50 18.217 -5.799 -12.476 1.00 1.00 C ATOM 828 O SER A 50 18.760 -6.901 -12.641 1.00 1.00 O ATOM 829 CB SER A 50 17.944 -4.729 -10.220 1.00 1.00 C ATOM 830 OG SER A 50 16.731 -4.030 -10.484 1.00 1.00 O ATOM 0 H SER A 50 18.449 -2.786 -11.686 1.00 1.00 H new ATOM 0 HA SER A 50 19.803 -5.201 -11.141 1.00 1.00 H new ATOM 0 HB2 SER A 50 17.713 -5.731 -9.857 1.00 1.00 H new ATOM 0 HB3 SER A 50 18.490 -4.220 -9.426 1.00 1.00 H new ATOM 0 HG SER A 50 16.038 -4.329 -9.858 1.00 1.00 H new ATOM 836 N ILE A 51 17.115 -5.378 -13.122 1.00 1.00 N ATOM 837 CA ILE A 51 16.437 -6.203 -14.107 1.00 1.00 C ATOM 838 C ILE A 51 17.387 -6.480 -15.274 1.00 1.00 C ATOM 839 O ILE A 51 17.333 -7.588 -15.829 1.00 1.00 O ATOM 840 CB ILE A 51 15.116 -5.558 -14.529 1.00 1.00 C ATOM 841 CG1 ILE A 51 15.355 -4.415 -15.518 1.00 1.00 C ATOM 842 CG2 ILE A 51 14.314 -5.102 -13.309 1.00 1.00 C ATOM 843 CD1 ILE A 51 14.097 -3.560 -15.682 1.00 1.00 C ATOM 0 H ILE A 51 16.683 -4.467 -12.971 1.00 1.00 H new ATOM 0 HA ILE A 51 16.170 -7.168 -13.677 1.00 1.00 H new ATOM 0 HB ILE A 51 14.518 -6.310 -15.044 1.00 1.00 H new ATOM 0 HG12 ILE A 51 16.179 -3.793 -15.168 1.00 1.00 H new ATOM 0 HG13 ILE A 51 15.651 -4.822 -16.485 1.00 1.00 H new ATOM 0 HG21 ILE A 51 13.379 -4.647 -13.637 1.00 1.00 H new ATOM 0 HG22 ILE A 51 14.096 -5.961 -12.675 1.00 1.00 H new ATOM 0 HG23 ILE A 51 14.894 -4.372 -12.744 1.00 1.00 H new ATOM 0 HD11 ILE A 51 14.294 -2.755 -16.390 1.00 1.00 H new ATOM 0 HD12 ILE A 51 13.282 -4.180 -16.055 1.00 1.00 H new ATOM 0 HD13 ILE A 51 13.818 -3.135 -14.718 1.00 1.00 H new ATOM 855 N ARG A 52 18.224 -5.485 -15.619 1.00 1.00 N ATOM 856 CA ARG A 52 19.175 -5.621 -16.709 1.00 1.00 C ATOM 857 C ARG A 52 19.979 -6.909 -16.521 1.00 1.00 C ATOM 858 O ARG A 52 20.192 -7.621 -17.513 1.00 1.00 O ATOM 859 CB ARG A 52 20.135 -4.432 -16.771 1.00 1.00 C ATOM 860 CG ARG A 52 19.836 -3.548 -17.983 1.00 1.00 C ATOM 861 CD ARG A 52 20.653 -2.255 -17.934 1.00 1.00 C ATOM 862 NE ARG A 52 20.793 -1.692 -19.295 1.00 1.00 N ATOM 863 CZ ARG A 52 21.292 -0.466 -19.560 1.00 1.00 C ATOM 864 NH1 ARG A 52 21.691 0.307 -18.540 1.00 1.00 N ATOM 865 NH2 ARG A 52 21.386 -0.028 -20.823 1.00 1.00 N ATOM 0 H ARG A 52 18.252 -4.580 -15.150 1.00 1.00 H new ATOM 0 HA ARG A 52 18.615 -5.654 -17.644 1.00 1.00 H new ATOM 0 HB2 ARG A 52 20.050 -3.843 -15.857 1.00 1.00 H new ATOM 0 HB3 ARG A 52 21.162 -4.792 -16.824 1.00 1.00 H new ATOM 0 HG2 ARG A 52 20.064 -4.092 -18.900 1.00 1.00 H new ATOM 0 HG3 ARG A 52 18.773 -3.310 -18.010 1.00 1.00 H new ATOM 0 HD2 ARG A 52 20.165 -1.532 -17.281 1.00 1.00 H new ATOM 0 HD3 ARG A 52 21.638 -2.453 -17.511 1.00 1.00 H new ATOM 0 HE ARG A 52 20.494 -2.267 -20.083 1.00 1.00 H new ATOM 0 HH11 ARG A 52 21.615 -0.034 -17.582 1.00 1.00 H new ATOM 0 HH12 ARG A 52 22.070 1.236 -18.722 1.00 1.00 H new ATOM 0 HH21 ARG A 52 21.079 -0.622 -21.593 1.00 1.00 H new ATOM 0 HH22 ARG A 52 21.764 0.900 -21.014 1.00 1.00 H new ATOM 879 N HIS A 53 20.403 -7.177 -15.273 1.00 1.00 N ATOM 880 CA HIS A 53 21.176 -8.367 -14.962 1.00 1.00 C ATOM 881 C HIS A 53 20.229 -9.558 -14.801 1.00 1.00 C ATOM 882 O HIS A 53 20.398 -10.548 -15.528 1.00 1.00 O ATOM 883 CB HIS A 53 22.059 -8.141 -13.732 1.00 1.00 C ATOM 884 CG HIS A 53 23.507 -7.864 -14.058 1.00 1.00 C ATOM 885 ND1 HIS A 53 24.454 -8.866 -14.177 1.00 1.00 N ATOM 886 CD2 HIS A 53 24.159 -6.689 -14.290 1.00 1.00 C ATOM 887 CE1 HIS A 53 25.620 -8.308 -14.466 1.00 1.00 C ATOM 888 NE2 HIS A 53 25.435 -6.958 -14.535 1.00 1.00 N ATOM 0 H HIS A 53 20.217 -6.577 -14.470 1.00 1.00 H new ATOM 0 HA HIS A 53 21.856 -8.590 -15.784 1.00 1.00 H new ATOM 0 HB2 HIS A 53 21.660 -7.304 -13.160 1.00 1.00 H new ATOM 0 HB3 HIS A 53 22.003 -9.021 -13.091 1.00 1.00 H new ATOM 0 HD2 HIS A 53 23.712 -5.706 -14.277 1.00 1.00 H new ATOM 0 HE1 HIS A 53 26.553 -8.830 -14.620 1.00 1.00 H new ATOM 0 HE2 HIS A 53 26.158 -6.269 -14.741 1.00 1.00 H new ATOM 896 N ASN A 54 19.268 -9.441 -13.868 1.00 1.00 N ATOM 897 CA ASN A 54 18.305 -10.500 -13.617 1.00 1.00 C ATOM 898 C ASN A 54 17.655 -10.916 -14.938 1.00 1.00 C ATOM 899 O ASN A 54 17.553 -12.126 -15.189 1.00 1.00 O ATOM 900 CB ASN A 54 17.197 -10.025 -12.674 1.00 1.00 C ATOM 901 CG ASN A 54 16.299 -11.190 -12.252 1.00 1.00 C ATOM 902 OD1 ASN A 54 15.392 -11.596 -12.960 1.00 1.00 O ATOM 903 ND2 ASN A 54 16.602 -11.703 -11.064 1.00 1.00 N ATOM 0 H ASN A 54 19.147 -8.617 -13.280 1.00 1.00 H new ATOM 0 HA ASN A 54 18.835 -11.336 -13.159 1.00 1.00 H new ATOM 0 HB2 ASN A 54 17.639 -9.564 -11.791 1.00 1.00 H new ATOM 0 HB3 ASN A 54 16.598 -9.260 -13.167 1.00 1.00 H new ATOM 0 HD21 ASN A 54 16.062 -12.485 -10.693 1.00 1.00 H new ATOM 0 HD22 ASN A 54 17.375 -11.315 -10.523 1.00 1.00 H new ATOM 910 N LEU A 55 17.236 -9.923 -15.742 1.00 1.00 N ATOM 911 CA LEU A 55 16.604 -10.185 -17.024 1.00 1.00 C ATOM 912 C LEU A 55 17.513 -11.086 -17.862 1.00 1.00 C ATOM 913 O LEU A 55 17.032 -12.118 -18.351 1.00 1.00 O ATOM 914 CB LEU A 55 16.232 -8.872 -17.716 1.00 1.00 C ATOM 915 CG LEU A 55 15.415 -9.000 -19.003 1.00 1.00 C ATOM 916 CD1 LEU A 55 13.968 -9.391 -18.698 1.00 1.00 C ATOM 917 CD2 LEU A 55 15.499 -7.720 -19.836 1.00 1.00 C ATOM 0 H LEU A 55 17.329 -8.933 -15.516 1.00 1.00 H new ATOM 0 HA LEU A 55 15.666 -10.722 -16.883 1.00 1.00 H new ATOM 0 HB2 LEU A 55 15.669 -8.260 -17.011 1.00 1.00 H new ATOM 0 HB3 LEU A 55 17.151 -8.332 -17.945 1.00 1.00 H new ATOM 0 HG LEU A 55 15.846 -9.803 -19.602 1.00 1.00 H new ATOM 0 HD11 LEU A 55 13.410 -9.475 -19.630 1.00 1.00 H new ATOM 0 HD12 LEU A 55 13.952 -10.349 -18.178 1.00 1.00 H new ATOM 0 HD13 LEU A 55 13.510 -8.628 -18.068 1.00 1.00 H new ATOM 0 HD21 LEU A 55 14.909 -7.838 -20.745 1.00 1.00 H new ATOM 0 HD22 LEU A 55 15.109 -6.883 -19.257 1.00 1.00 H new ATOM 0 HD23 LEU A 55 16.538 -7.526 -20.100 1.00 1.00 H new ATOM 929 N SER A 56 18.788 -10.684 -18.010 1.00 1.00 N ATOM 930 CA SER A 56 19.752 -11.450 -18.781 1.00 1.00 C ATOM 931 C SER A 56 20.093 -12.738 -18.030 1.00 1.00 C ATOM 932 O SER A 56 20.317 -13.764 -18.689 1.00 1.00 O ATOM 933 CB SER A 56 21.022 -10.641 -19.051 1.00 1.00 C ATOM 934 OG SER A 56 22.021 -10.868 -18.060 1.00 1.00 O ATOM 0 H SER A 56 19.164 -9.829 -17.600 1.00 1.00 H new ATOM 0 HA SER A 56 19.307 -11.694 -19.746 1.00 1.00 H new ATOM 0 HB2 SER A 56 21.418 -10.905 -20.032 1.00 1.00 H new ATOM 0 HB3 SER A 56 20.776 -9.580 -19.081 1.00 1.00 H new ATOM 0 HG SER A 56 21.645 -10.697 -17.171 1.00 1.00 H new ATOM 940 N LEU A 57 20.124 -12.662 -16.687 1.00 1.00 N ATOM 941 CA LEU A 57 20.434 -13.813 -15.857 1.00 1.00 C ATOM 942 C LEU A 57 19.151 -14.602 -15.586 1.00 1.00 C ATOM 943 O LEU A 57 19.146 -15.416 -14.651 1.00 1.00 O ATOM 944 CB LEU A 57 21.168 -13.377 -14.588 1.00 1.00 C ATOM 945 CG LEU A 57 22.633 -13.803 -14.479 1.00 1.00 C ATOM 946 CD1 LEU A 57 23.515 -12.978 -15.420 1.00 1.00 C ATOM 947 CD2 LEU A 57 23.119 -13.733 -13.031 1.00 1.00 C ATOM 0 H LEU A 57 19.936 -11.807 -16.163 1.00 1.00 H new ATOM 0 HA LEU A 57 21.117 -14.484 -16.377 1.00 1.00 H new ATOM 0 HB2 LEU A 57 21.121 -12.290 -14.520 1.00 1.00 H new ATOM 0 HB3 LEU A 57 20.630 -13.774 -13.727 1.00 1.00 H new ATOM 0 HG LEU A 57 22.710 -14.844 -14.794 1.00 1.00 H new ATOM 0 HD11 LEU A 57 24.552 -13.301 -15.323 1.00 1.00 H new ATOM 0 HD12 LEU A 57 23.185 -13.123 -16.449 1.00 1.00 H new ATOM 0 HD13 LEU A 57 23.438 -11.923 -15.159 1.00 1.00 H new ATOM 0 HD21 LEU A 57 24.163 -14.041 -12.982 1.00 1.00 H new ATOM 0 HD22 LEU A 57 23.025 -12.711 -12.665 1.00 1.00 H new ATOM 0 HD23 LEU A 57 22.516 -14.397 -12.412 1.00 1.00 H new ATOM 959 N ASN A 58 18.107 -14.349 -16.396 1.00 1.00 N ATOM 960 CA ASN A 58 16.833 -15.031 -16.243 1.00 1.00 C ATOM 961 C ASN A 58 16.736 -16.159 -17.273 1.00 1.00 C ATOM 962 O ASN A 58 17.103 -17.295 -16.938 1.00 1.00 O ATOM 963 CB ASN A 58 15.664 -14.073 -16.482 1.00 1.00 C ATOM 964 CG ASN A 58 14.348 -14.839 -16.632 1.00 1.00 C ATOM 965 OD1 ASN A 58 13.632 -14.481 -17.693 1.00 1.00 O flip ATOM 966 ND2 ASN A 58 14.007 -15.699 -15.836 1.00 1.00 N flip ATOM 0 H ASN A 58 18.132 -13.674 -17.161 1.00 1.00 H new ATOM 0 HA ASN A 58 16.779 -15.421 -15.227 1.00 1.00 H new ATOM 0 HB2 ASN A 58 15.588 -13.372 -15.651 1.00 1.00 H new ATOM 0 HB3 ASN A 58 15.850 -13.484 -17.380 1.00 1.00 H new ATOM 0 HD21 ASN A 58 14.606 -15.925 -15.042 1.00 1.00 H new ATOM 0 HD22 ASN A 58 13.123 -16.192 -15.965 1.00 1.00 H new ATOM 973 N ASP A 59 16.254 -15.829 -18.484 1.00 1.00 N ATOM 974 CA ASP A 59 16.112 -16.808 -19.549 1.00 1.00 C ATOM 975 C ASP A 59 17.458 -16.987 -20.254 1.00 1.00 C ATOM 976 O ASP A 59 17.755 -18.112 -20.681 1.00 1.00 O ATOM 977 CB ASP A 59 15.091 -16.345 -20.590 1.00 1.00 C ATOM 978 CG ASP A 59 13.643 -16.296 -20.099 1.00 1.00 C ATOM 979 OD1 ASP A 59 13.125 -17.443 -19.815 1.00 1.00 O ATOM 980 OD2 ASP A 59 13.041 -15.217 -19.992 1.00 1.00 O ATOM 0 H ASP A 59 15.959 -14.887 -18.739 1.00 1.00 H new ATOM 0 HA ASP A 59 15.774 -17.744 -19.104 1.00 1.00 H new ATOM 0 HB2 ASP A 59 15.374 -15.352 -20.938 1.00 1.00 H new ATOM 0 HB3 ASP A 59 15.144 -17.012 -21.451 1.00 1.00 H new ATOM 985 N CYS A 60 18.233 -15.892 -20.359 1.00 1.00 N ATOM 986 CA CYS A 60 19.534 -15.929 -21.006 1.00 1.00 C ATOM 987 C CYS A 60 19.366 -15.627 -22.496 1.00 1.00 C ATOM 988 O CYS A 60 20.031 -16.285 -23.309 1.00 1.00 O ATOM 989 CB CYS A 60 20.230 -17.270 -20.769 1.00 1.00 C ATOM 990 SG CYS A 60 22.016 -17.157 -20.454 1.00 1.00 S ATOM 0 H CYS A 60 17.970 -14.974 -20.000 1.00 1.00 H new ATOM 0 HA CYS A 60 20.177 -15.165 -20.569 1.00 1.00 H new ATOM 0 HB2 CYS A 60 19.756 -17.764 -19.921 1.00 1.00 H new ATOM 0 HB3 CYS A 60 20.068 -17.906 -21.639 1.00 1.00 H new ATOM 0 HG CYS A 60 22.500 -18.349 -20.266 1.00 1.00 H new ATOM 996 N PHE A 61 18.494 -14.655 -22.820 1.00 1.00 N ATOM 997 CA PHE A 61 18.244 -14.274 -24.199 1.00 1.00 C ATOM 998 C PHE A 61 19.483 -13.573 -24.763 1.00 1.00 C ATOM 999 O PHE A 61 20.495 -13.501 -24.050 1.00 1.00 O ATOM 1000 CB PHE A 61 17.017 -13.343 -24.254 1.00 1.00 C ATOM 1001 CG PHE A 61 16.497 -12.897 -22.893 1.00 1.00 C ATOM 1002 CD1 PHE A 61 17.257 -12.004 -22.103 1.00 1.00 C ATOM 1003 CD2 PHE A 61 15.252 -13.367 -22.416 1.00 1.00 C ATOM 1004 CE1 PHE A 61 16.775 -11.587 -20.844 1.00 1.00 C ATOM 1005 CE2 PHE A 61 14.771 -12.948 -21.157 1.00 1.00 C ATOM 1006 CZ PHE A 61 15.533 -12.059 -20.370 1.00 1.00 C ATOM 0 H PHE A 61 17.955 -14.125 -22.135 1.00 1.00 H new ATOM 0 HA PHE A 61 18.039 -15.158 -24.802 1.00 1.00 H new ATOM 0 HB2 PHE A 61 17.274 -12.459 -24.837 1.00 1.00 H new ATOM 0 HB3 PHE A 61 16.214 -13.853 -24.786 1.00 1.00 H new ATOM 0 HD1 PHE A 61 18.208 -11.640 -22.464 1.00 1.00 H new ATOM 0 HD2 PHE A 61 14.667 -14.048 -23.016 1.00 1.00 H new ATOM 0 HE1 PHE A 61 17.358 -10.905 -20.242 1.00 1.00 H new ATOM 0 HE2 PHE A 61 13.819 -13.308 -20.796 1.00 1.00 H new ATOM 0 HZ PHE A 61 15.166 -11.740 -19.406 1.00 1.00 H new ATOM 1016 N VAL A 62 19.380 -13.079 -26.009 1.00 1.00 N ATOM 1017 CA VAL A 62 20.484 -12.392 -26.659 1.00 1.00 C ATOM 1018 C VAL A 62 20.093 -10.935 -26.912 1.00 1.00 C ATOM 1019 O VAL A 62 19.172 -10.701 -27.708 1.00 1.00 O ATOM 1020 CB VAL A 62 20.884 -13.135 -27.935 1.00 1.00 C ATOM 1021 CG1 VAL A 62 21.521 -14.486 -27.607 1.00 1.00 C ATOM 1022 CG2 VAL A 62 19.683 -13.307 -28.868 1.00 1.00 C ATOM 0 H VAL A 62 18.537 -13.149 -26.578 1.00 1.00 H new ATOM 0 HA VAL A 62 21.363 -12.385 -26.015 1.00 1.00 H new ATOM 0 HB VAL A 62 21.629 -12.532 -28.454 1.00 1.00 H new ATOM 0 HG11 VAL A 62 21.796 -14.993 -28.532 1.00 1.00 H new ATOM 0 HG12 VAL A 62 22.413 -14.330 -27.000 1.00 1.00 H new ATOM 0 HG13 VAL A 62 20.809 -15.099 -27.055 1.00 1.00 H new ATOM 0 HG21 VAL A 62 19.994 -13.838 -29.768 1.00 1.00 H new ATOM 0 HG22 VAL A 62 18.906 -13.878 -28.360 1.00 1.00 H new ATOM 0 HG23 VAL A 62 19.292 -12.327 -29.142 1.00 1.00 H new ATOM 1032 N LYS A 63 20.790 -10.000 -26.242 1.00 1.00 N ATOM 1033 CA LYS A 63 20.517 -8.581 -26.393 1.00 1.00 C ATOM 1034 C LYS A 63 21.605 -7.946 -27.262 1.00 1.00 C ATOM 1035 O LYS A 63 22.756 -8.402 -27.191 1.00 1.00 O ATOM 1036 CB LYS A 63 20.358 -7.916 -25.024 1.00 1.00 C ATOM 1037 CG LYS A 63 21.722 -7.636 -24.389 1.00 1.00 C ATOM 1038 CD LYS A 63 21.698 -7.931 -22.888 1.00 1.00 C ATOM 1039 CE LYS A 63 22.394 -9.258 -22.578 1.00 1.00 C ATOM 1040 NZ LYS A 63 23.490 -9.054 -21.617 1.00 1.00 N ATOM 0 H LYS A 63 21.546 -10.214 -25.592 1.00 1.00 H new ATOM 0 HA LYS A 63 19.568 -8.429 -26.907 1.00 1.00 H new ATOM 0 HB2 LYS A 63 19.804 -6.983 -25.131 1.00 1.00 H new ATOM 0 HB3 LYS A 63 19.773 -8.561 -24.368 1.00 1.00 H new ATOM 0 HG2 LYS A 63 22.484 -8.248 -24.871 1.00 1.00 H new ATOM 0 HG3 LYS A 63 21.997 -6.594 -24.554 1.00 1.00 H new ATOM 0 HD2 LYS A 63 22.191 -7.123 -22.347 1.00 1.00 H new ATOM 0 HD3 LYS A 63 20.667 -7.967 -22.537 1.00 1.00 H new ATOM 0 HE2 LYS A 63 21.673 -9.967 -22.171 1.00 1.00 H new ATOM 0 HE3 LYS A 63 22.785 -9.694 -23.497 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 23.951 -9.965 -21.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 24.186 -8.394 -22.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 23.108 -8.659 -20.734 1.00 1.00 H new ATOM 1054 N ILE A 64 21.227 -6.925 -28.050 1.00 1.00 N ATOM 1055 CA ILE A 64 22.164 -6.237 -28.923 1.00 1.00 C ATOM 1056 C ILE A 64 22.655 -4.963 -28.233 1.00 1.00 C ATOM 1057 O ILE A 64 21.866 -4.012 -28.121 1.00 1.00 O ATOM 1058 CB ILE A 64 21.537 -5.991 -30.296 1.00 1.00 C ATOM 1059 CG1 ILE A 64 20.910 -4.598 -30.370 1.00 1.00 C ATOM 1060 CG2 ILE A 64 20.532 -7.091 -30.645 1.00 1.00 C ATOM 1061 CD1 ILE A 64 19.692 -4.495 -29.450 1.00 1.00 C ATOM 0 H ILE A 64 20.274 -6.565 -28.093 1.00 1.00 H new ATOM 0 HA ILE A 64 23.040 -6.859 -29.107 1.00 1.00 H new ATOM 0 HB ILE A 64 22.328 -6.029 -31.045 1.00 1.00 H new ATOM 0 HG12 ILE A 64 21.648 -3.848 -30.087 1.00 1.00 H new ATOM 0 HG13 ILE A 64 20.614 -4.383 -31.397 1.00 1.00 H new ATOM 0 HG21 ILE A 64 20.101 -6.892 -31.626 1.00 1.00 H new ATOM 0 HG22 ILE A 64 21.039 -8.056 -30.660 1.00 1.00 H new ATOM 0 HG23 ILE A 64 19.739 -7.110 -29.897 1.00 1.00 H new ATOM 0 HD11 ILE A 64 19.265 -3.495 -29.522 1.00 1.00 H new ATOM 0 HD12 ILE A 64 18.946 -5.230 -29.751 1.00 1.00 H new ATOM 0 HD13 ILE A 64 19.996 -4.687 -28.421 1.00 1.00 H new ATOM 1073 N PRO A 65 23.926 -4.966 -27.793 1.00 1.00 N ATOM 1074 CA PRO A 65 24.545 -3.838 -27.119 1.00 1.00 C ATOM 1075 C PRO A 65 24.886 -2.726 -28.113 1.00 1.00 C ATOM 1076 O PRO A 65 25.631 -1.808 -27.737 1.00 1.00 O ATOM 1077 CB PRO A 65 25.770 -4.416 -26.429 1.00 1.00 C ATOM 1078 CG PRO A 65 26.050 -5.741 -27.119 1.00 1.00 C ATOM 1079 CD PRO A 65 24.827 -6.106 -27.943 1.00 1.00 C ATOM 0 HA PRO A 65 23.883 -3.365 -26.394 1.00 1.00 H new ATOM 0 HB2 PRO A 65 26.622 -3.742 -26.517 1.00 1.00 H new ATOM 0 HB3 PRO A 65 25.587 -4.561 -25.364 1.00 1.00 H new ATOM 0 HG2 PRO A 65 26.930 -5.660 -27.757 1.00 1.00 H new ATOM 0 HG3 PRO A 65 26.260 -6.517 -26.383 1.00 1.00 H new ATOM 0 HD2 PRO A 65 25.088 -6.270 -28.989 1.00 1.00 H new ATOM 0 HD3 PRO A 65 24.366 -7.025 -27.582 1.00 1.00 H new ATOM 1087 N ARG A 66 24.345 -2.828 -29.340 1.00 1.00 N ATOM 1088 CA ARG A 66 24.592 -1.838 -30.375 1.00 1.00 C ATOM 1089 C ARG A 66 23.883 -2.264 -31.662 1.00 1.00 C ATOM 1090 O ARG A 66 24.535 -2.879 -32.518 1.00 1.00 O ATOM 1091 CB ARG A 66 26.087 -1.674 -30.654 1.00 1.00 C ATOM 1092 CG ARG A 66 26.384 -0.303 -31.263 1.00 1.00 C ATOM 1093 CD ARG A 66 26.996 0.638 -30.223 1.00 1.00 C ATOM 1094 NE ARG A 66 25.924 1.316 -29.461 1.00 1.00 N ATOM 1095 CZ ARG A 66 26.107 2.435 -28.728 1.00 1.00 C ATOM 1096 NH1 ARG A 66 27.329 2.983 -28.674 1.00 1.00 N ATOM 1097 NH2 ARG A 66 25.083 2.990 -28.065 1.00 1.00 N ATOM 0 H ARG A 66 23.734 -3.592 -29.629 1.00 1.00 H new ATOM 0 HA ARG A 66 24.206 -0.881 -30.025 1.00 1.00 H new ATOM 0 HB2 ARG A 66 26.649 -1.794 -29.728 1.00 1.00 H new ATOM 0 HB3 ARG A 66 26.422 -2.458 -31.333 1.00 1.00 H new ATOM 0 HG2 ARG A 66 27.068 -0.415 -32.104 1.00 1.00 H new ATOM 0 HG3 ARG A 66 25.465 0.131 -31.655 1.00 1.00 H new ATOM 0 HD2 ARG A 66 27.636 0.075 -29.544 1.00 1.00 H new ATOM 0 HD3 ARG A 66 27.627 1.378 -30.716 1.00 1.00 H new ATOM 0 HE ARG A 66 24.988 0.913 -29.491 1.00 1.00 H new ATOM 0 HH11 ARG A 66 28.103 2.555 -29.182 1.00 1.00 H new ATOM 0 HH12 ARG A 66 27.485 3.828 -28.125 1.00 1.00 H new ATOM 0 HH21 ARG A 66 24.156 2.567 -28.112 1.00 1.00 H new ATOM 0 HH22 ARG A 66 25.231 3.835 -27.514 1.00 1.00 H new ATOM 1111 N GLU A 67 22.583 -1.935 -31.771 1.00 1.00 N ATOM 1112 CA GLU A 67 21.797 -2.282 -32.942 1.00 1.00 C ATOM 1113 C GLU A 67 22.304 -1.485 -34.146 1.00 1.00 C ATOM 1114 O GLU A 67 22.119 -0.259 -34.162 1.00 1.00 O ATOM 1115 CB GLU A 67 20.305 -2.034 -32.711 1.00 1.00 C ATOM 1116 CG GLU A 67 20.054 -0.605 -32.227 1.00 1.00 C ATOM 1117 CD GLU A 67 18.803 -0.535 -31.349 1.00 1.00 C ATOM 1118 OE1 GLU A 67 18.230 -1.578 -31.001 1.00 1.00 O ATOM 1119 OE2 GLU A 67 18.429 0.657 -31.026 1.00 1.00 O ATOM 0 H GLU A 67 22.064 -1.428 -31.054 1.00 1.00 H new ATOM 0 HA GLU A 67 21.916 -3.347 -33.139 1.00 1.00 H new ATOM 0 HB2 GLU A 67 19.756 -2.210 -33.636 1.00 1.00 H new ATOM 0 HB3 GLU A 67 19.925 -2.743 -31.975 1.00 1.00 H new ATOM 0 HG2 GLU A 67 20.918 -0.251 -31.664 1.00 1.00 H new ATOM 0 HG3 GLU A 67 19.938 0.058 -33.084 1.00 1.00 H new ATOM 1204 N GLY A 74 15.677 1.568 -28.576 1.00 1.00 N ATOM 1205 CA GLY A 74 15.294 0.346 -27.890 1.00 1.00 C ATOM 1206 C GLY A 74 16.076 -0.830 -28.478 1.00 1.00 C ATOM 1207 O GLY A 74 16.689 -0.658 -29.542 1.00 1.00 O ATOM 0 HA2 GLY A 74 15.497 0.435 -26.823 1.00 1.00 H new ATOM 0 HA3 GLY A 74 14.223 0.175 -27.997 1.00 1.00 H new ATOM 1211 N ASN A 75 16.040 -1.983 -27.786 1.00 1.00 N ATOM 1212 CA ASN A 75 16.740 -3.174 -28.237 1.00 1.00 C ATOM 1213 C ASN A 75 15.731 -4.302 -28.455 1.00 1.00 C ATOM 1214 O ASN A 75 14.525 -4.049 -28.319 1.00 1.00 O ATOM 1215 CB ASN A 75 17.757 -3.643 -27.195 1.00 1.00 C ATOM 1216 CG ASN A 75 18.804 -2.561 -26.923 1.00 1.00 C ATOM 1217 OD1 ASN A 75 19.338 -1.938 -27.825 1.00 1.00 O ATOM 1218 ND2 ASN A 75 19.065 -2.373 -25.633 1.00 1.00 N ATOM 0 H ASN A 75 15.529 -2.104 -26.911 1.00 1.00 H new ATOM 0 HA ASN A 75 17.260 -2.929 -29.163 1.00 1.00 H new ATOM 0 HB2 ASN A 75 17.242 -3.897 -26.268 1.00 1.00 H new ATOM 0 HB3 ASN A 75 18.249 -4.550 -27.545 1.00 1.00 H new ATOM 0 HD21 ASN A 75 19.749 -1.672 -25.348 1.00 1.00 H new ATOM 0 HD22 ASN A 75 18.581 -2.930 -24.928 1.00 1.00 H new ATOM 1225 N TYR A 76 16.234 -5.506 -28.783 1.00 1.00 N ATOM 1226 CA TYR A 76 15.327 -6.618 -29.008 1.00 1.00 C ATOM 1227 C TYR A 76 15.997 -7.917 -28.554 1.00 1.00 C ATOM 1228 O TYR A 76 16.677 -8.541 -29.382 1.00 1.00 O ATOM 1229 CB TYR A 76 14.914 -6.674 -30.490 1.00 1.00 C ATOM 1230 CG TYR A 76 15.680 -5.719 -31.395 1.00 1.00 C ATOM 1231 CD1 TYR A 76 15.263 -4.374 -31.517 1.00 1.00 C ATOM 1232 CD2 TYR A 76 16.813 -6.166 -32.113 1.00 1.00 C ATOM 1233 CE1 TYR A 76 15.971 -3.484 -32.352 1.00 1.00 C ATOM 1234 CE2 TYR A 76 17.522 -5.276 -32.947 1.00 1.00 C ATOM 1235 CZ TYR A 76 17.101 -3.934 -33.069 1.00 1.00 C ATOM 1236 OH TYR A 76 17.783 -3.069 -33.877 1.00 1.00 O ATOM 0 H TYR A 76 17.226 -5.718 -28.892 1.00 1.00 H new ATOM 0 HA TYR A 76 14.418 -6.481 -28.423 1.00 1.00 H new ATOM 0 HB2 TYR A 76 15.054 -7.691 -30.855 1.00 1.00 H new ATOM 0 HB3 TYR A 76 13.850 -6.452 -30.566 1.00 1.00 H new ATOM 0 HD1 TYR A 76 14.400 -4.026 -30.969 1.00 1.00 H new ATOM 0 HD2 TYR A 76 17.137 -7.192 -32.023 1.00 1.00 H new ATOM 0 HE1 TYR A 76 15.648 -2.457 -32.443 1.00 1.00 H new ATOM 0 HE2 TYR A 76 18.388 -5.622 -33.493 1.00 1.00 H new ATOM 0 HH TYR A 76 17.518 -2.149 -33.668 1.00 1.00 H new ATOM 1246 N TRP A 77 15.807 -8.287 -27.275 1.00 1.00 N ATOM 1247 CA TRP A 77 16.401 -9.495 -26.727 1.00 1.00 C ATOM 1248 C TRP A 77 15.599 -10.710 -27.197 1.00 1.00 C ATOM 1249 O TRP A 77 14.361 -10.640 -27.187 1.00 1.00 O ATOM 1250 CB TRP A 77 16.496 -9.394 -25.203 1.00 1.00 C ATOM 1251 CG TRP A 77 17.160 -8.109 -24.705 1.00 1.00 C ATOM 1252 CD1 TRP A 77 17.313 -6.951 -25.361 1.00 1.00 C ATOM 1253 CD2 TRP A 77 17.760 -7.898 -23.409 1.00 1.00 C ATOM 1254 NE1 TRP A 77 17.964 -6.012 -24.587 1.00 1.00 N ATOM 1255 CE2 TRP A 77 18.244 -6.606 -23.362 1.00 1.00 C ATOM 1256 CE3 TRP A 77 17.888 -8.769 -22.313 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 18.890 -6.070 -22.241 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 18.536 -8.218 -21.201 1.00 1.00 C ATOM 1259 CH2 TRP A 77 19.029 -6.920 -21.138 1.00 1.00 C ATOM 0 H TRP A 77 15.244 -7.758 -26.609 1.00 1.00 H new ATOM 0 HA TRP A 77 17.421 -9.616 -27.092 1.00 1.00 H new ATOM 0 HB2 TRP A 77 15.493 -9.459 -24.782 1.00 1.00 H new ATOM 0 HB3 TRP A 77 17.056 -10.250 -24.827 1.00 1.00 H new ATOM 0 HD1 TRP A 77 16.970 -6.774 -26.370 1.00 1.00 H new ATOM 0 HE1 TRP A 77 18.197 -5.058 -24.863 1.00 1.00 H new ATOM 0 HE3 TRP A 77 17.516 -9.783 -22.328 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 19.261 -5.056 -22.228 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 18.662 -8.846 -20.331 1.00 1.00 H new ATOM 0 HH2 TRP A 77 19.518 -6.569 -20.241 1.00 1.00 H new ATOM 1270 N THR A 78 16.308 -11.783 -27.592 1.00 1.00 N ATOM 1271 CA THR A 78 15.666 -13.000 -28.060 1.00 1.00 C ATOM 1272 C THR A 78 15.953 -14.134 -27.074 1.00 1.00 C ATOM 1273 O THR A 78 17.112 -14.276 -26.659 1.00 1.00 O ATOM 1274 CB THR A 78 16.152 -13.293 -29.481 1.00 1.00 C ATOM 1275 OG1 THR A 78 15.990 -12.054 -30.166 1.00 1.00 O ATOM 1276 CG2 THR A 78 15.228 -14.256 -30.229 1.00 1.00 C ATOM 0 H THR A 78 17.327 -11.820 -27.592 1.00 1.00 H new ATOM 0 HA THR A 78 14.582 -12.891 -28.103 1.00 1.00 H new ATOM 0 HB THR A 78 17.157 -13.712 -29.441 1.00 1.00 H new ATOM 0 HG1 THR A 78 15.036 -11.837 -30.228 1.00 1.00 H new ATOM 0 HG21 THR A 78 15.619 -14.430 -31.232 1.00 1.00 H new ATOM 0 HG22 THR A 78 15.176 -15.202 -29.691 1.00 1.00 H new ATOM 0 HG23 THR A 78 14.230 -13.823 -30.298 1.00 1.00 H new ATOM 1284 N LEU A 79 14.908 -14.906 -26.724 1.00 1.00 N ATOM 1285 CA LEU A 79 15.047 -16.015 -25.796 1.00 1.00 C ATOM 1286 C LEU A 79 15.796 -17.159 -26.483 1.00 1.00 C ATOM 1287 O LEU A 79 15.476 -17.460 -27.643 1.00 1.00 O ATOM 1288 CB LEU A 79 13.682 -16.421 -25.238 1.00 1.00 C ATOM 1289 CG LEU A 79 13.519 -16.316 -23.720 1.00 1.00 C ATOM 1290 CD1 LEU A 79 12.508 -15.229 -23.351 1.00 1.00 C ATOM 1291 CD2 LEU A 79 13.150 -17.671 -23.114 1.00 1.00 C ATOM 0 H LEU A 79 13.961 -14.772 -27.077 1.00 1.00 H new ATOM 0 HA LEU A 79 15.642 -15.717 -24.933 1.00 1.00 H new ATOM 0 HB2 LEU A 79 12.920 -15.800 -25.709 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.482 -17.451 -25.534 1.00 1.00 H new ATOM 0 HG LEU A 79 14.478 -16.022 -23.293 1.00 1.00 H new ATOM 0 HD11 LEU A 79 12.411 -15.175 -22.267 1.00 1.00 H new ATOM 0 HD12 LEU A 79 12.852 -14.268 -23.733 1.00 1.00 H new ATOM 0 HD13 LEU A 79 11.540 -15.468 -23.790 1.00 1.00 H new ATOM 0 HD21 LEU A 79 13.040 -17.569 -22.034 1.00 1.00 H new ATOM 0 HD22 LEU A 79 12.210 -18.018 -23.543 1.00 1.00 H new ATOM 0 HD23 LEU A 79 13.937 -18.393 -23.332 1.00 1.00 H new ATOM 1303 N ASP A 80 16.761 -17.763 -25.768 1.00 1.00 N ATOM 1304 CA ASP A 80 17.545 -18.862 -26.305 1.00 1.00 C ATOM 1305 C ASP A 80 17.655 -19.967 -25.253 1.00 1.00 C ATOM 1306 O ASP A 80 18.623 -19.949 -24.478 1.00 1.00 O ATOM 1307 CB ASP A 80 18.961 -18.405 -26.662 1.00 1.00 C ATOM 1308 CG ASP A 80 19.656 -17.559 -25.593 1.00 1.00 C ATOM 1309 OD1 ASP A 80 20.236 -18.230 -24.657 1.00 1.00 O ATOM 1310 OD2 ASP A 80 19.644 -16.320 -25.653 1.00 1.00 O ATOM 0 H ASP A 80 17.009 -17.499 -24.814 1.00 1.00 H new ATOM 0 HA ASP A 80 17.046 -19.225 -27.204 1.00 1.00 H new ATOM 0 HB2 ASP A 80 19.572 -19.286 -26.861 1.00 1.00 H new ATOM 0 HB3 ASP A 80 18.919 -17.831 -27.588 1.00 1.00 H new