USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 776 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 79 TYR OH : rot 180:sc= -0.632 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.633 K(o=-1.3,f=2.3) USER MOD Set 2.1: A 40 CYS SG : rot -27:sc= 0.268 USER MOD Set 2.2: A 59 TYR OH : rot -49:sc= -0.352 USER MOD Single : A 11 THR OG1 : rot 24:sc= 0.402 USER MOD Single : A 16 GLN : amide:sc= -4.53 K(o=-4.5,f=-3.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0402 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0103 USER MOD Single : A 31 SER OG : rot 180:sc=-0.000193 USER MOD Single : A 33 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.37) USER MOD Single : A 35 CYS SG : rot -154:sc= -4.71! USER MOD Single : A 36 MET CE :methyl -158:sc= -5.66! (180deg=-6.81!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 171:sc= -4.78! (180deg=-5.27!) USER MOD Single : A 43 TYR OH : rot 33:sc= 0.0967 USER MOD Single : A 46 HIS : no HD1:sc= -0.763 X(o=-0.76,f=-0.28) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -148:sc= -0.412 (180deg=-2.59!) USER MOD Single : A 51 ASN : amide:sc= -0.683 X(o=-0.68,f=-0.31) USER MOD Single : A 53 ASN : amide:sc= -0.894 X(o=-0.89,f=-0.63) USER MOD Single : A 54 SER OG : rot -160:sc= -1.45 USER MOD Single : A 56 SER OG : rot -30:sc= 0.875 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.2!) USER MOD Single : A 75 SER OG : rot 5:sc= 0.117 USER MOD Single : A 76 CYS SG : rot 150:sc= -4.19! USER MOD Single : A 83 THR OG1 : rot -87:sc= -0.165 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0882 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -4.94! C(o=-4.9!,f=-3.7!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.497 7.021 3.719 1.00 0.00 N ATOM 121 CA THR A 11 4.154 6.933 3.173 1.00 0.00 C ATOM 122 C THR A 11 3.119 7.278 4.245 1.00 0.00 C ATOM 123 O THR A 11 3.399 7.180 5.439 1.00 0.00 O ATOM 124 CB THR A 11 3.975 5.532 2.583 1.00 0.00 C ATOM 125 OG1 THR A 11 5.068 5.393 1.681 1.00 0.00 O ATOM 126 CG2 THR A 11 2.738 5.427 1.689 1.00 0.00 C ATOM 0 HA THR A 11 4.003 7.660 2.375 1.00 0.00 H new ATOM 0 HB THR A 11 3.901 4.805 3.391 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.792 5.996 1.949 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.658 4.413 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.847 5.662 2.271 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.826 6.131 0.861 1.00 0.00 H new ATOM 134 N ILE A 12 1.943 7.675 3.781 1.00 0.00 N ATOM 135 CA ILE A 12 0.864 8.035 4.685 1.00 0.00 C ATOM 136 C ILE A 12 -0.359 7.167 4.384 1.00 0.00 C ATOM 137 O ILE A 12 -0.818 7.108 3.245 1.00 0.00 O ATOM 138 CB ILE A 12 0.584 9.538 4.613 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.887 10.340 4.630 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.370 9.972 5.728 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.661 11.764 4.119 1.00 0.00 C ATOM 0 H ILE A 12 1.714 7.755 2.790 1.00 0.00 H new ATOM 0 HA ILE A 12 1.150 7.836 5.718 1.00 0.00 H new ATOM 0 HB ILE A 12 0.089 9.748 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.285 10.373 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.633 9.842 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.552 11.044 5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.314 9.436 5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.076 9.746 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.603 12.312 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.286 11.728 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.933 12.267 4.755 1.00 0.00 H new ATOM 153 N LEU A 13 -0.852 6.514 5.427 1.00 0.00 N ATOM 154 CA LEU A 13 -2.013 5.652 5.289 1.00 0.00 C ATOM 155 C LEU A 13 -3.123 6.144 6.220 1.00 0.00 C ATOM 156 O LEU A 13 -2.919 6.259 7.427 1.00 0.00 O ATOM 157 CB LEU A 13 -1.624 4.189 5.515 1.00 0.00 C ATOM 158 CG LEU A 13 -2.638 3.145 5.043 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.493 2.645 6.209 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.494 3.689 3.898 1.00 0.00 C ATOM 0 H LEU A 13 -0.468 6.565 6.371 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.404 5.701 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.678 4.003 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.449 4.041 6.581 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.088 2.287 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.205 1.904 5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.850 2.191 6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.034 3.483 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.206 2.927 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.035 4.573 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.852 3.956 3.059 1.00 0.00 H new ATOM 172 N LEU A 14 -4.273 6.422 5.623 1.00 0.00 N ATOM 173 CA LEU A 14 -5.415 6.899 6.384 1.00 0.00 C ATOM 174 C LEU A 14 -6.651 6.081 6.007 1.00 0.00 C ATOM 175 O LEU A 14 -6.587 5.220 5.130 1.00 0.00 O ATOM 176 CB LEU A 14 -5.594 8.407 6.192 1.00 0.00 C ATOM 177 CG LEU A 14 -4.780 9.041 5.062 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.280 8.951 5.349 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.143 8.420 3.711 1.00 0.00 C ATOM 0 H LEU A 14 -4.438 6.326 4.621 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.249 6.754 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.650 8.607 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.332 8.906 7.125 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.035 10.100 5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.725 9.409 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.055 9.475 6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.990 7.905 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.551 8.888 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.935 7.350 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.203 8.579 3.510 1.00 0.00 H new ATOM 191 N VAL A 15 -7.748 6.377 6.689 1.00 0.00 N ATOM 192 CA VAL A 15 -8.997 5.679 6.437 1.00 0.00 C ATOM 193 C VAL A 15 -10.165 6.650 6.621 1.00 0.00 C ATOM 194 O VAL A 15 -10.148 7.482 7.528 1.00 0.00 O ATOM 195 CB VAL A 15 -9.098 4.445 7.337 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.528 4.253 7.845 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.602 3.195 6.609 1.00 0.00 C ATOM 0 H VAL A 15 -7.798 7.091 7.416 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.032 5.319 5.409 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.455 4.607 8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.572 3.370 8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.831 5.129 8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.201 4.123 6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.684 2.332 7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.207 3.028 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.560 3.332 6.319 1.00 0.00 H new ATOM 207 N GLN A 16 -11.151 6.512 5.747 1.00 0.00 N ATOM 208 CA GLN A 16 -12.325 7.367 5.802 1.00 0.00 C ATOM 209 C GLN A 16 -13.568 6.591 5.365 1.00 0.00 C ATOM 210 O GLN A 16 -13.870 6.515 4.175 1.00 0.00 O ATOM 211 CB GLN A 16 -12.131 8.620 4.946 1.00 0.00 C ATOM 212 CG GLN A 16 -13.406 9.466 4.916 1.00 0.00 C ATOM 213 CD GLN A 16 -13.719 10.034 6.302 1.00 0.00 C ATOM 214 OE1 GLN A 16 -13.265 11.102 6.681 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.518 9.264 7.034 1.00 0.00 N ATOM 0 H GLN A 16 -11.161 5.821 4.997 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.467 7.690 6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.307 9.212 5.343 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.857 8.333 3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.289 10.282 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.242 8.858 4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.863 8.382 6.656 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.786 9.556 7.974 1.00 0.00 H new ATOM 224 N PRO A 17 -14.274 6.018 6.377 1.00 0.00 N ATOM 225 CA PRO A 17 -15.478 5.250 6.108 1.00 0.00 C ATOM 226 C PRO A 17 -16.651 6.171 5.765 1.00 0.00 C ATOM 227 O PRO A 17 -17.343 5.955 4.771 1.00 0.00 O ATOM 228 CB PRO A 17 -15.713 4.434 7.369 1.00 0.00 C ATOM 229 CG PRO A 17 -14.908 5.116 8.463 1.00 0.00 C ATOM 230 CD PRO A 17 -13.946 6.087 7.797 1.00 0.00 C ATOM 0 HA PRO A 17 -15.376 4.598 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.772 4.405 7.624 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.390 3.402 7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.569 5.644 9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.361 4.379 9.050 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.073 7.098 8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.909 5.804 7.978 1.00 0.00 H new ATOM 238 N THR A 18 -16.837 7.178 6.605 1.00 0.00 N ATOM 239 CA THR A 18 -17.914 8.132 6.403 1.00 0.00 C ATOM 240 C THR A 18 -17.350 9.495 5.999 1.00 0.00 C ATOM 241 O THR A 18 -16.360 9.571 5.272 1.00 0.00 O ATOM 242 CB THR A 18 -18.753 8.176 7.682 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.860 8.695 8.664 1.00 0.00 O ATOM 244 CG2 THR A 18 -19.106 6.781 8.200 1.00 0.00 C ATOM 0 H THR A 18 -16.260 7.354 7.427 1.00 0.00 H new ATOM 0 HA THR A 18 -18.563 7.828 5.582 1.00 0.00 H new ATOM 0 HB THR A 18 -19.669 8.736 7.496 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.323 8.759 9.526 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.701 6.870 9.109 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.678 6.246 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.190 6.232 8.419 1.00 0.00 H new ATOM 252 N LYS A 19 -18.003 10.539 6.488 1.00 0.00 N ATOM 253 CA LYS A 19 -17.579 11.896 6.186 1.00 0.00 C ATOM 254 C LYS A 19 -17.173 12.598 7.483 1.00 0.00 C ATOM 255 O LYS A 19 -16.198 13.348 7.509 1.00 0.00 O ATOM 256 CB LYS A 19 -18.664 12.634 5.401 1.00 0.00 C ATOM 257 CG LYS A 19 -18.819 12.049 3.996 1.00 0.00 C ATOM 258 CD LYS A 19 -17.896 12.756 3.002 1.00 0.00 C ATOM 259 CE LYS A 19 -17.981 12.109 1.618 1.00 0.00 C ATOM 260 NZ LYS A 19 -18.323 13.121 0.593 1.00 0.00 N ATOM 0 H LYS A 19 -18.823 10.473 7.091 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.702 11.887 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.613 12.566 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.412 13.692 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.591 10.983 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.854 12.147 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.169 13.809 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.868 12.716 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.029 11.639 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.733 11.320 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.377 12.665 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.242 13.550 0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.591 13.859 0.576 1.00 0.00 H new ATOM 274 N ARG A 20 -17.941 12.331 8.529 1.00 0.00 N ATOM 275 CA ARG A 20 -17.673 12.928 9.827 1.00 0.00 C ATOM 276 C ARG A 20 -16.178 12.860 10.144 1.00 0.00 C ATOM 277 O ARG A 20 -15.479 11.967 9.668 1.00 0.00 O ATOM 278 CB ARG A 20 -18.455 12.216 10.933 1.00 0.00 C ATOM 279 CG ARG A 20 -19.940 12.579 10.875 1.00 0.00 C ATOM 280 CD ARG A 20 -20.182 13.988 11.421 1.00 0.00 C ATOM 281 NE ARG A 20 -21.608 14.153 11.782 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.585 14.390 10.896 1.00 0.00 C ATOM 283 NH1 ARG A 20 -22.296 14.491 9.592 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.850 14.525 11.315 1.00 0.00 N ATOM 0 H ARG A 20 -18.749 11.709 8.504 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.992 13.969 9.785 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.336 11.137 10.831 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.048 12.491 11.906 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.293 12.519 9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.517 11.857 11.453 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.555 14.161 12.295 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.899 14.730 10.674 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.863 14.082 12.767 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.332 14.387 9.274 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.039 14.671 8.917 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.069 14.447 12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.594 14.705 10.641 1.00 0.00 H new ATOM 298 N PRO A 21 -15.720 13.842 10.967 1.00 0.00 N ATOM 299 CA PRO A 21 -14.320 13.902 11.353 1.00 0.00 C ATOM 300 C PRO A 21 -13.992 12.829 12.393 1.00 0.00 C ATOM 301 O PRO A 21 -12.823 12.558 12.664 1.00 0.00 O ATOM 302 CB PRO A 21 -14.116 15.315 11.873 1.00 0.00 C ATOM 303 CG PRO A 21 -15.504 15.846 12.193 1.00 0.00 C ATOM 304 CD PRO A 21 -16.519 14.916 11.549 1.00 0.00 C ATOM 0 HA PRO A 21 -13.645 13.696 10.522 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.483 15.317 12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.622 15.938 11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.657 15.890 13.271 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.621 16.861 11.813 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.225 14.530 12.284 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -17.102 15.433 10.787 1.00 0.00 H new ATOM 312 N GLU A 22 -15.045 12.246 12.948 1.00 0.00 N ATOM 313 CA GLU A 22 -14.883 11.208 13.952 1.00 0.00 C ATOM 314 C GLU A 22 -14.458 9.894 13.294 1.00 0.00 C ATOM 315 O GLU A 22 -15.291 9.168 12.753 1.00 0.00 O ATOM 316 CB GLU A 22 -16.168 11.025 14.763 1.00 0.00 C ATOM 317 CG GLU A 22 -16.012 11.595 16.174 1.00 0.00 C ATOM 318 CD GLU A 22 -15.168 10.666 17.050 1.00 0.00 C ATOM 319 OE1 GLU A 22 -13.938 10.642 16.831 1.00 0.00 O ATOM 320 OE2 GLU A 22 -15.774 10.001 17.918 1.00 0.00 O ATOM 0 H GLU A 22 -16.013 12.473 12.721 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.097 11.516 14.642 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.996 11.521 14.256 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.418 9.966 14.821 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.544 12.578 16.123 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.995 11.733 16.625 1.00 0.00 H new ATOM 327 N GLY A 23 -13.162 9.628 13.361 1.00 0.00 N ATOM 328 CA GLY A 23 -12.616 8.414 12.779 1.00 0.00 C ATOM 329 C GLY A 23 -11.393 8.723 11.913 1.00 0.00 C ATOM 330 O GLY A 23 -10.425 7.964 11.906 1.00 0.00 O ATOM 0 H GLY A 23 -12.474 10.233 13.810 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.339 7.719 13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.378 7.921 12.176 1.00 0.00 H new ATOM 334 N ARG A 24 -11.476 9.840 11.205 1.00 0.00 N ATOM 335 CA ARG A 24 -10.388 10.259 10.338 1.00 0.00 C ATOM 336 C ARG A 24 -9.041 10.030 11.027 1.00 0.00 C ATOM 337 O ARG A 24 -8.591 10.865 11.810 1.00 0.00 O ATOM 338 CB ARG A 24 -10.518 11.737 9.966 1.00 0.00 C ATOM 339 CG ARG A 24 -11.873 12.022 9.315 1.00 0.00 C ATOM 340 CD ARG A 24 -11.865 13.376 8.602 1.00 0.00 C ATOM 341 NE ARG A 24 -11.737 14.469 9.591 1.00 0.00 N ATOM 342 CZ ARG A 24 -11.618 15.764 9.269 1.00 0.00 C ATOM 343 NH1 ARG A 24 -11.611 16.136 7.981 1.00 0.00 N ATOM 344 NH2 ARG A 24 -11.507 16.687 10.234 1.00 0.00 N ATOM 0 H ARG A 24 -12.280 10.468 11.214 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.441 9.661 9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.403 12.352 10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.716 12.015 9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.111 11.233 8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.655 12.012 10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.038 13.418 7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.784 13.499 8.028 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.740 14.221 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.696 15.433 7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.520 17.122 7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.513 16.404 11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.416 17.673 9.989 1.00 0.00 H new ATOM 358 N THR A 25 -8.437 8.894 10.711 1.00 0.00 N ATOM 359 CA THR A 25 -7.151 8.544 11.290 1.00 0.00 C ATOM 360 C THR A 25 -6.108 8.341 10.190 1.00 0.00 C ATOM 361 O THR A 25 -6.451 7.988 9.062 1.00 0.00 O ATOM 362 CB THR A 25 -7.350 7.312 12.174 1.00 0.00 C ATOM 363 OG1 THR A 25 -6.059 7.068 12.726 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.652 6.051 11.362 1.00 0.00 C ATOM 0 H THR A 25 -8.814 8.204 10.061 1.00 0.00 H new ATOM 0 HA THR A 25 -6.766 9.350 11.914 1.00 0.00 H new ATOM 0 HB THR A 25 -8.164 7.496 12.875 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.097 6.285 13.315 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.784 5.206 12.038 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.564 6.200 10.784 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.823 5.847 10.685 1.00 0.00 H new ATOM 372 N TYR A 26 -4.855 8.571 10.555 1.00 0.00 N ATOM 373 CA TYR A 26 -3.760 8.417 9.613 1.00 0.00 C ATOM 374 C TYR A 26 -2.590 7.666 10.251 1.00 0.00 C ATOM 375 O TYR A 26 -2.576 7.441 11.460 1.00 0.00 O ATOM 376 CB TYR A 26 -3.307 9.835 9.258 1.00 0.00 C ATOM 377 CG TYR A 26 -4.457 10.797 8.954 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.307 11.197 9.965 1.00 0.00 C ATOM 379 CD2 TYR A 26 -4.644 11.266 7.670 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.389 12.103 9.680 1.00 0.00 C ATOM 381 CE2 TYR A 26 -5.726 12.172 7.384 1.00 0.00 C ATOM 382 CZ TYR A 26 -6.545 12.546 8.403 1.00 0.00 C ATOM 383 OH TYR A 26 -7.567 13.402 8.134 1.00 0.00 O ATOM 0 H TYR A 26 -4.574 8.863 11.491 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.082 7.850 8.740 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.720 10.236 10.085 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.647 9.789 8.392 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.160 10.830 10.970 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.978 10.953 6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.061 12.424 10.462 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.883 12.546 6.383 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.556 13.636 7.182 1.00 0.00 H new ATOM 393 N ALA A 27 -1.636 7.297 9.409 1.00 0.00 N ATOM 394 CA ALA A 27 -0.464 6.575 9.874 1.00 0.00 C ATOM 395 C ALA A 27 0.714 6.869 8.944 1.00 0.00 C ATOM 396 O ALA A 27 0.563 7.576 7.949 1.00 0.00 O ATOM 397 CB ALA A 27 -0.783 5.081 9.957 1.00 0.00 C ATOM 0 H ALA A 27 -1.651 7.485 8.407 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.184 6.904 10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.097 4.540 10.306 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.606 4.923 10.654 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.067 4.714 8.971 1.00 0.00 H new ATOM 403 N ASP A 28 1.862 6.311 9.300 1.00 0.00 N ATOM 404 CA ASP A 28 3.066 6.505 8.509 1.00 0.00 C ATOM 405 C ASP A 28 3.849 5.192 8.452 1.00 0.00 C ATOM 406 O ASP A 28 4.034 4.530 9.472 1.00 0.00 O ATOM 407 CB ASP A 28 3.970 7.569 9.134 1.00 0.00 C ATOM 408 CG ASP A 28 3.238 8.776 9.723 1.00 0.00 C ATOM 409 OD1 ASP A 28 2.685 8.618 10.833 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.247 9.829 9.049 1.00 0.00 O ATOM 0 H ASP A 28 1.984 5.725 10.126 1.00 0.00 H new ATOM 0 HA ASP A 28 2.767 6.828 7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.563 7.103 9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.669 7.922 8.375 1.00 0.00 H new ATOM 415 N TYR A 29 4.289 4.855 7.248 1.00 0.00 N ATOM 416 CA TYR A 29 5.049 3.633 7.044 1.00 0.00 C ATOM 417 C TYR A 29 6.402 3.931 6.396 1.00 0.00 C ATOM 418 O TYR A 29 6.647 5.050 5.947 1.00 0.00 O ATOM 419 CB TYR A 29 4.218 2.774 6.090 1.00 0.00 C ATOM 420 CG TYR A 29 3.001 2.116 6.745 1.00 0.00 C ATOM 421 CD1 TYR A 29 1.832 2.832 6.904 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.073 0.807 7.176 1.00 0.00 C ATOM 423 CE1 TYR A 29 0.687 2.213 7.520 1.00 0.00 C ATOM 424 CE2 TYR A 29 1.928 0.188 7.792 1.00 0.00 C ATOM 425 CZ TYR A 29 0.792 0.921 7.934 1.00 0.00 C ATOM 426 OH TYR A 29 -0.290 0.337 8.515 1.00 0.00 O ATOM 0 H TYR A 29 4.134 5.407 6.404 1.00 0.00 H new ATOM 0 HA TYR A 29 5.240 3.136 7.995 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.880 3.394 5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.855 1.997 5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.776 3.856 6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.988 0.247 7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.234 2.762 7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.971 -0.836 8.134 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.071 -0.586 8.760 1.00 0.00 H new ATOM 436 N GLU A 30 7.246 2.909 6.366 1.00 0.00 N ATOM 437 CA GLU A 30 8.568 3.048 5.780 1.00 0.00 C ATOM 438 C GLU A 30 8.487 2.936 4.256 1.00 0.00 C ATOM 439 O GLU A 30 9.021 3.781 3.539 1.00 0.00 O ATOM 440 CB GLU A 30 9.534 2.010 6.355 1.00 0.00 C ATOM 441 CG GLU A 30 10.399 2.620 7.461 1.00 0.00 C ATOM 442 CD GLU A 30 11.866 2.217 7.295 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.393 2.439 6.183 1.00 0.00 O ATOM 444 OE2 GLU A 30 12.426 1.696 8.283 1.00 0.00 O ATOM 0 H GLU A 30 7.039 1.982 6.738 1.00 0.00 H new ATOM 0 HA GLU A 30 8.954 4.035 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.971 1.165 6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.172 1.623 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.312 3.706 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.036 2.291 8.435 1.00 0.00 H new ATOM 451 N SER A 31 7.816 1.885 3.806 1.00 0.00 N ATOM 452 CA SER A 31 7.659 1.652 2.381 1.00 0.00 C ATOM 453 C SER A 31 6.176 1.686 2.006 1.00 0.00 C ATOM 454 O SER A 31 5.317 1.849 2.871 1.00 0.00 O ATOM 455 CB SER A 31 8.280 0.316 1.970 1.00 0.00 C ATOM 456 OG SER A 31 7.536 -0.794 2.465 1.00 0.00 O ATOM 0 H SER A 31 7.375 1.186 4.404 1.00 0.00 H new ATOM 0 HA SER A 31 8.181 2.445 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.334 0.260 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.303 0.262 2.343 1.00 0.00 H new ATOM 0 HG SER A 31 7.964 -1.628 2.180 1.00 0.00 H new ATOM 462 N VAL A 32 5.921 1.529 0.715 1.00 0.00 N ATOM 463 CA VAL A 32 4.557 1.540 0.215 1.00 0.00 C ATOM 464 C VAL A 32 3.896 0.195 0.521 1.00 0.00 C ATOM 465 O VAL A 32 2.792 0.150 1.062 1.00 0.00 O ATOM 466 CB VAL A 32 4.549 1.884 -1.276 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.438 1.128 -2.007 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.418 3.394 -1.489 1.00 0.00 C ATOM 0 H VAL A 32 6.636 1.394 0.000 1.00 0.00 H new ATOM 0 HA VAL A 32 3.973 2.312 0.716 1.00 0.00 H new ATOM 0 HB VAL A 32 5.503 1.568 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.454 1.391 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.595 0.055 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.472 1.399 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.415 3.612 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.487 3.745 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.259 3.902 -1.018 1.00 0.00 H new ATOM 478 N ASN A 33 4.599 -0.870 0.162 1.00 0.00 N ATOM 479 CA ASN A 33 4.094 -2.213 0.392 1.00 0.00 C ATOM 480 C ASN A 33 3.437 -2.276 1.772 1.00 0.00 C ATOM 481 O ASN A 33 2.320 -2.773 1.909 1.00 0.00 O ATOM 482 CB ASN A 33 5.227 -3.240 0.360 1.00 0.00 C ATOM 483 CG ASN A 33 6.037 -3.123 -0.933 1.00 0.00 C ATOM 484 OD1 ASN A 33 5.510 -2.885 -2.007 1.00 0.00 O ATOM 485 ND2 ASN A 33 7.345 -3.302 -0.769 1.00 0.00 N ATOM 0 H ASN A 33 5.514 -0.830 -0.286 1.00 0.00 H new ATOM 0 HA ASN A 33 3.376 -2.443 -0.395 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.882 -3.091 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.814 -4.245 0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.972 -3.243 -1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.721 -3.498 0.159 1.00 0.00 H new ATOM 492 N GLU A 34 4.158 -1.767 2.760 1.00 0.00 N ATOM 493 CA GLU A 34 3.659 -1.760 4.125 1.00 0.00 C ATOM 494 C GLU A 34 2.462 -0.816 4.247 1.00 0.00 C ATOM 495 O GLU A 34 1.500 -1.115 4.953 1.00 0.00 O ATOM 496 CB GLU A 34 4.764 -1.376 5.110 1.00 0.00 C ATOM 497 CG GLU A 34 6.006 -2.247 4.909 1.00 0.00 C ATOM 498 CD GLU A 34 5.878 -3.567 5.671 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.453 -3.507 6.845 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.209 -4.608 5.063 1.00 0.00 O ATOM 0 H GLU A 34 5.084 -1.356 2.643 1.00 0.00 H new ATOM 0 HA GLU A 34 3.328 -2.768 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.026 -0.326 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.400 -1.486 6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.146 -2.448 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.891 -1.710 5.251 1.00 0.00 H new ATOM 507 N CYS A 35 2.559 0.306 3.548 1.00 0.00 N ATOM 508 CA CYS A 35 1.496 1.296 3.570 1.00 0.00 C ATOM 509 C CYS A 35 0.178 0.593 3.241 1.00 0.00 C ATOM 510 O CYS A 35 -0.770 0.647 4.022 1.00 0.00 O ATOM 511 CB CYS A 35 1.781 2.453 2.610 1.00 0.00 C ATOM 512 SG CYS A 35 0.407 3.660 2.660 1.00 0.00 S ATOM 0 H CYS A 35 3.358 0.551 2.963 1.00 0.00 H new ATOM 0 HA CYS A 35 1.431 1.742 4.563 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.716 2.942 2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.905 2.073 1.596 1.00 0.00 H new ATOM 0 HG CYS A 35 0.353 4.303 1.532 1.00 0.00 H new ATOM 518 N MET A 36 0.161 -0.052 2.084 1.00 0.00 N ATOM 519 CA MET A 36 -1.026 -0.765 1.642 1.00 0.00 C ATOM 520 C MET A 36 -1.344 -1.932 2.579 1.00 0.00 C ATOM 521 O MET A 36 -2.485 -2.093 3.010 1.00 0.00 O ATOM 522 CB MET A 36 -0.805 -1.294 0.223 1.00 0.00 C ATOM 523 CG MET A 36 -1.704 -0.567 -0.779 1.00 0.00 C ATOM 524 SD MET A 36 -1.501 1.198 -0.612 1.00 0.00 S ATOM 525 CE MET A 36 0.135 1.389 -1.301 1.00 0.00 C ATOM 0 H MET A 36 0.950 -0.096 1.439 1.00 0.00 H new ATOM 0 HA MET A 36 -1.869 -0.074 1.654 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.240 -1.164 -0.059 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.012 -2.364 0.193 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.455 -0.876 -1.794 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.746 -0.839 -0.610 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.577 2.316 -0.936 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.757 0.547 -0.999 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.070 1.421 -2.389 1.00 0.00 H new ATOM 535 N GLU A 37 -0.316 -2.716 2.866 1.00 0.00 N ATOM 536 CA GLU A 37 -0.472 -3.864 3.744 1.00 0.00 C ATOM 537 C GLU A 37 -1.445 -3.536 4.878 1.00 0.00 C ATOM 538 O GLU A 37 -2.412 -4.263 5.101 1.00 0.00 O ATOM 539 CB GLU A 37 0.880 -4.320 4.295 1.00 0.00 C ATOM 540 CG GLU A 37 0.942 -5.845 4.404 1.00 0.00 C ATOM 541 CD GLU A 37 1.994 -6.279 5.427 1.00 0.00 C ATOM 542 OE1 GLU A 37 2.997 -5.546 5.555 1.00 0.00 O ATOM 543 OE2 GLU A 37 1.770 -7.336 6.057 1.00 0.00 O ATOM 0 H GLU A 37 0.629 -2.579 2.506 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.887 -4.688 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.680 -3.966 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.046 -3.875 5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.035 -6.232 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.178 -6.274 3.430 1.00 0.00 H new ATOM 550 N GLY A 38 -1.155 -2.441 5.565 1.00 0.00 N ATOM 551 CA GLY A 38 -1.992 -2.008 6.671 1.00 0.00 C ATOM 552 C GLY A 38 -3.475 -2.145 6.323 1.00 0.00 C ATOM 553 O GLY A 38 -4.268 -2.612 7.139 1.00 0.00 O ATOM 0 H GLY A 38 -0.352 -1.841 5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.766 -2.602 7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.767 -0.970 6.917 1.00 0.00 H new ATOM 557 N VAL A 39 -3.806 -1.730 5.109 1.00 0.00 N ATOM 558 CA VAL A 39 -5.180 -1.801 4.642 1.00 0.00 C ATOM 559 C VAL A 39 -5.630 -3.263 4.615 1.00 0.00 C ATOM 560 O VAL A 39 -6.663 -3.609 5.187 1.00 0.00 O ATOM 561 CB VAL A 39 -5.307 -1.111 3.282 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.694 -1.340 2.679 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.998 0.384 3.395 1.00 0.00 C ATOM 0 H VAL A 39 -3.146 -1.343 4.434 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.843 -1.269 5.324 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.572 -1.555 2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.758 -0.839 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.861 -2.409 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.453 -0.935 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.095 0.851 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.698 0.849 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.980 0.519 3.761 1.00 0.00 H new ATOM 573 N CYS A 40 -4.833 -4.082 3.945 1.00 0.00 N ATOM 574 CA CYS A 40 -5.137 -5.498 3.836 1.00 0.00 C ATOM 575 C CYS A 40 -5.543 -6.010 5.219 1.00 0.00 C ATOM 576 O CYS A 40 -6.415 -6.870 5.335 1.00 0.00 O ATOM 577 CB CYS A 40 -3.959 -6.286 3.259 1.00 0.00 C ATOM 578 SG CYS A 40 -4.486 -7.991 2.851 1.00 0.00 S ATOM 0 H CYS A 40 -3.977 -3.792 3.472 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.963 -5.643 3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.582 -5.789 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.141 -6.312 3.979 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.485 -8.330 3.611 1.00 0.00 H new ATOM 584 N LYS A 41 -4.891 -5.461 6.233 1.00 0.00 N ATOM 585 CA LYS A 41 -5.174 -5.851 7.604 1.00 0.00 C ATOM 586 C LYS A 41 -6.658 -5.625 7.899 1.00 0.00 C ATOM 587 O LYS A 41 -7.346 -6.531 8.367 1.00 0.00 O ATOM 588 CB LYS A 41 -4.237 -5.125 8.572 1.00 0.00 C ATOM 589 CG LYS A 41 -2.807 -5.092 8.029 1.00 0.00 C ATOM 590 CD LYS A 41 -1.801 -4.823 9.151 1.00 0.00 C ATOM 591 CE LYS A 41 -0.897 -6.036 9.379 1.00 0.00 C ATOM 592 NZ LYS A 41 -0.988 -6.493 10.784 1.00 0.00 N ATOM 0 H LYS A 41 -4.167 -4.749 6.133 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.979 -6.914 7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.592 -4.107 8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.251 -5.625 9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.575 -6.042 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.722 -4.318 7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.193 -3.954 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.333 -4.583 10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.187 -6.844 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.135 -5.778 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.368 -7.317 10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.690 -5.725 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.970 -6.758 11.000 1.00 0.00 H new ATOM 606 N MET A 42 -7.107 -4.412 7.612 1.00 0.00 N ATOM 607 CA MET A 42 -8.497 -4.056 7.841 1.00 0.00 C ATOM 608 C MET A 42 -9.417 -5.254 7.598 1.00 0.00 C ATOM 609 O MET A 42 -9.948 -5.835 8.543 1.00 0.00 O ATOM 610 CB MET A 42 -8.891 -2.911 6.905 1.00 0.00 C ATOM 611 CG MET A 42 -8.131 -1.630 7.256 1.00 0.00 C ATOM 612 SD MET A 42 -9.087 -0.202 6.775 1.00 0.00 S ATOM 613 CE MET A 42 -8.514 0.004 5.097 1.00 0.00 C ATOM 0 H MET A 42 -6.533 -3.664 7.223 1.00 0.00 H new ATOM 0 HA MET A 42 -8.606 -3.743 8.879 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.681 -3.192 5.873 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.964 -2.732 6.975 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.929 -1.599 8.327 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.166 -1.619 6.749 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.124 0.754 4.594 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.474 0.329 5.105 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.594 -0.945 4.566 1.00 0.00 H new ATOM 623 N TYR A 43 -9.578 -5.587 6.326 1.00 0.00 N ATOM 624 CA TYR A 43 -10.426 -6.705 5.946 1.00 0.00 C ATOM 625 C TYR A 43 -10.106 -7.944 6.786 1.00 0.00 C ATOM 626 O TYR A 43 -10.997 -8.526 7.403 1.00 0.00 O ATOM 627 CB TYR A 43 -10.103 -7.000 4.480 1.00 0.00 C ATOM 628 CG TYR A 43 -11.196 -7.780 3.747 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.429 -7.199 3.528 1.00 0.00 C ATOM 630 CD2 TYR A 43 -10.950 -9.064 3.305 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.458 -7.933 2.838 1.00 0.00 C ATOM 632 CE2 TYR A 43 -11.979 -9.798 2.615 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.182 -9.196 2.416 1.00 0.00 C ATOM 634 OH TYR A 43 -14.154 -9.889 1.764 1.00 0.00 O ATOM 0 H TYR A 43 -9.136 -5.102 5.545 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.477 -6.461 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.932 -6.058 3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.172 -7.565 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.622 -6.194 3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.985 -9.518 3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.427 -7.491 2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.799 -10.803 2.264 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.701 -9.269 1.238 1.00 0.00 H new ATOM 644 N GLU A 44 -8.833 -8.310 6.781 1.00 0.00 N ATOM 645 CA GLU A 44 -8.386 -9.469 7.535 1.00 0.00 C ATOM 646 C GLU A 44 -9.013 -9.470 8.930 1.00 0.00 C ATOM 647 O GLU A 44 -9.454 -10.511 9.416 1.00 0.00 O ATOM 648 CB GLU A 44 -6.859 -9.512 7.620 1.00 0.00 C ATOM 649 CG GLU A 44 -6.245 -9.896 6.272 1.00 0.00 C ATOM 650 CD GLU A 44 -5.325 -11.111 6.415 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.721 -11.241 7.501 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.248 -11.882 5.434 1.00 0.00 O ATOM 0 H GLU A 44 -8.097 -7.825 6.267 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.714 -10.367 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.481 -8.538 7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.554 -10.231 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.038 -10.117 5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.681 -9.053 5.872 1.00 0.00 H new ATOM 659 N GLU A 45 -9.033 -8.292 9.536 1.00 0.00 N ATOM 660 CA GLU A 45 -9.599 -8.143 10.866 1.00 0.00 C ATOM 661 C GLU A 45 -11.049 -8.630 10.883 1.00 0.00 C ATOM 662 O GLU A 45 -11.371 -9.611 11.550 1.00 0.00 O ATOM 663 CB GLU A 45 -9.501 -6.694 11.345 1.00 0.00 C ATOM 664 CG GLU A 45 -8.052 -6.202 11.312 1.00 0.00 C ATOM 665 CD GLU A 45 -7.373 -6.407 12.668 1.00 0.00 C ATOM 666 OE1 GLU A 45 -7.487 -5.485 13.505 1.00 0.00 O ATOM 667 OE2 GLU A 45 -6.755 -7.480 12.837 1.00 0.00 O ATOM 0 H GLU A 45 -8.666 -7.431 9.130 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.022 -8.758 11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.120 -6.056 10.714 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.893 -6.615 12.359 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.500 -6.738 10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.029 -5.145 11.046 1.00 0.00 H new ATOM 674 N HIS A 46 -11.886 -7.920 10.140 1.00 0.00 N ATOM 675 CA HIS A 46 -13.295 -8.267 10.062 1.00 0.00 C ATOM 676 C HIS A 46 -13.440 -9.757 9.746 1.00 0.00 C ATOM 677 O HIS A 46 -14.472 -10.359 10.037 1.00 0.00 O ATOM 678 CB HIS A 46 -14.019 -7.374 9.052 1.00 0.00 C ATOM 679 CG HIS A 46 -15.182 -8.046 8.361 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.422 -8.196 8.956 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.279 -8.603 7.120 1.00 0.00 C ATOM 682 CE1 HIS A 46 -17.222 -8.819 8.103 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.512 -9.071 6.966 1.00 0.00 N ATOM 0 H HIS A 46 -11.616 -7.107 9.587 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.771 -8.087 11.026 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.380 -6.482 9.564 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.305 -7.042 8.299 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.487 -8.655 6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.255 -9.081 8.277 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.869 -9.541 6.134 1.00 0.00 H new ATOM 691 N LEU A 47 -12.390 -10.309 9.155 1.00 0.00 N ATOM 692 CA LEU A 47 -12.387 -11.717 8.797 1.00 0.00 C ATOM 693 C LEU A 47 -11.981 -12.548 10.016 1.00 0.00 C ATOM 694 O LEU A 47 -12.636 -13.535 10.345 1.00 0.00 O ATOM 695 CB LEU A 47 -11.507 -11.955 7.569 1.00 0.00 C ATOM 696 CG LEU A 47 -12.238 -12.056 6.229 1.00 0.00 C ATOM 697 CD1 LEU A 47 -13.163 -10.855 6.018 1.00 0.00 C ATOM 698 CD2 LEU A 47 -11.248 -12.226 5.075 1.00 0.00 C ATOM 0 H LEU A 47 -11.536 -9.806 8.915 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.388 -12.040 8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.781 -11.144 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.944 -12.875 7.723 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.865 -12.947 6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.671 -10.951 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.903 -10.820 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.575 -9.937 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.794 -12.295 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.576 -11.368 5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.667 -13.136 5.225 1.00 0.00 H new ATOM 710 N LYS A 48 -10.901 -12.117 10.652 1.00 0.00 N ATOM 711 CA LYS A 48 -10.399 -12.809 11.827 1.00 0.00 C ATOM 712 C LYS A 48 -11.580 -13.299 12.668 1.00 0.00 C ATOM 713 O LYS A 48 -11.749 -14.501 12.867 1.00 0.00 O ATOM 714 CB LYS A 48 -9.423 -11.918 12.597 1.00 0.00 C ATOM 715 CG LYS A 48 -8.177 -12.702 13.014 1.00 0.00 C ATOM 716 CD LYS A 48 -6.902 -11.979 12.575 1.00 0.00 C ATOM 717 CE LYS A 48 -6.428 -12.483 11.210 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.959 -12.665 11.207 1.00 0.00 N ATOM 0 H LYS A 48 -10.360 -11.298 10.376 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.827 -13.690 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.133 -11.070 11.977 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.915 -11.513 13.481 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.171 -12.833 14.096 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.205 -13.698 12.572 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.087 -10.906 12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.118 -12.134 13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.918 -13.428 10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.714 -11.773 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.654 -13.007 10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.496 -11.756 11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.694 -13.360 11.934 1.00 0.00 H new ATOM 732 N ARG A 49 -12.366 -12.342 13.140 1.00 0.00 N ATOM 733 CA ARG A 49 -13.525 -12.660 13.956 1.00 0.00 C ATOM 734 C ARG A 49 -14.359 -13.755 13.288 1.00 0.00 C ATOM 735 O ARG A 49 -14.829 -14.677 13.954 1.00 0.00 O ATOM 736 CB ARG A 49 -14.400 -11.425 14.175 1.00 0.00 C ATOM 737 CG ARG A 49 -14.509 -10.595 12.894 1.00 0.00 C ATOM 738 CD ARG A 49 -15.967 -10.463 12.449 1.00 0.00 C ATOM 739 NE ARG A 49 -16.392 -9.047 12.520 1.00 0.00 N ATOM 740 CZ ARG A 49 -16.718 -8.417 13.657 1.00 0.00 C ATOM 741 NH1 ARG A 49 -16.670 -9.074 14.824 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.092 -7.131 13.627 1.00 0.00 N ATOM 0 H ARG A 49 -12.223 -11.346 12.973 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.164 -13.011 14.923 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.394 -11.732 14.499 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.979 -10.814 14.974 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.085 -9.605 13.061 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.924 -11.063 12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.080 -10.834 11.430 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.607 -11.076 13.084 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.440 -8.518 11.649 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.385 -10.053 14.847 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.918 -8.595 15.690 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.129 -6.631 12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.340 -6.652 14.493 1.00 0.00 H new ATOM 756 N MET A 50 -14.519 -13.618 11.979 1.00 0.00 N ATOM 757 CA MET A 50 -15.288 -14.585 11.214 1.00 0.00 C ATOM 758 C MET A 50 -14.559 -15.927 11.135 1.00 0.00 C ATOM 759 O MET A 50 -15.180 -16.983 11.245 1.00 0.00 O ATOM 760 CB MET A 50 -15.522 -14.047 9.801 1.00 0.00 C ATOM 761 CG MET A 50 -16.500 -12.870 9.817 1.00 0.00 C ATOM 762 SD MET A 50 -17.897 -13.222 8.764 1.00 0.00 S ATOM 763 CE MET A 50 -17.047 -13.782 7.298 1.00 0.00 C ATOM 0 H MET A 50 -14.129 -12.852 11.429 1.00 0.00 H new ATOM 0 HA MET A 50 -16.243 -14.741 11.716 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.574 -13.730 9.367 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.914 -14.841 9.166 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.840 -12.683 10.836 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.997 -11.964 9.477 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.627 -13.511 6.416 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.065 -13.312 7.245 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.929 -14.865 7.337 1.00 0.00 H new ATOM 773 N ASN A 51 -13.250 -15.843 10.945 1.00 0.00 N ATOM 774 CA ASN A 51 -12.429 -17.038 10.850 1.00 0.00 C ATOM 775 C ASN A 51 -11.428 -17.058 12.006 1.00 0.00 C ATOM 776 O ASN A 51 -10.423 -16.349 11.974 1.00 0.00 O ATOM 777 CB ASN A 51 -11.639 -17.061 9.540 1.00 0.00 C ATOM 778 CG ASN A 51 -12.562 -16.844 8.339 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.848 -17.748 7.572 1.00 0.00 O ATOM 780 ND2 ASN A 51 -13.010 -15.598 8.219 1.00 0.00 N ATOM 0 H ASN A 51 -12.738 -14.966 10.854 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.090 -17.904 10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.873 -16.286 9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.123 -18.016 9.439 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.632 -15.352 7.449 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.731 -14.888 8.897 1.00 0.00 H new ATOM 787 N PRO A 52 -11.745 -17.898 13.027 1.00 0.00 N ATOM 788 CA PRO A 52 -10.885 -18.019 14.192 1.00 0.00 C ATOM 789 C PRO A 52 -9.631 -18.833 13.866 1.00 0.00 C ATOM 790 O PRO A 52 -8.514 -18.389 14.123 1.00 0.00 O ATOM 791 CB PRO A 52 -11.754 -18.668 15.257 1.00 0.00 C ATOM 792 CG PRO A 52 -12.916 -19.308 14.515 1.00 0.00 C ATOM 793 CD PRO A 52 -12.927 -18.752 13.100 1.00 0.00 C ATOM 0 HA PRO A 52 -10.507 -17.057 14.537 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.191 -19.414 15.819 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.109 -17.929 15.975 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.808 -20.392 14.498 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.858 -19.089 15.019 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.884 -19.551 12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.837 -18.185 12.904 1.00 0.00 H new ATOM 801 N ASN A 53 -9.860 -20.011 13.304 1.00 0.00 N ATOM 802 CA ASN A 53 -8.762 -20.892 12.940 1.00 0.00 C ATOM 803 C ASN A 53 -7.828 -20.162 11.973 1.00 0.00 C ATOM 804 O ASN A 53 -6.613 -20.350 12.016 1.00 0.00 O ATOM 805 CB ASN A 53 -9.276 -22.151 12.240 1.00 0.00 C ATOM 806 CG ASN A 53 -10.121 -21.793 11.016 1.00 0.00 C ATOM 807 OD1 ASN A 53 -9.630 -21.667 9.906 1.00 0.00 O ATOM 808 ND2 ASN A 53 -11.415 -21.636 11.279 1.00 0.00 N ATOM 0 H ASN A 53 -10.789 -20.376 13.092 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.239 -21.175 13.854 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.433 -22.771 11.935 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.871 -22.741 12.937 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.062 -21.395 10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.760 -21.756 12.231 1.00 0.00 H new ATOM 815 N SER A 54 -8.430 -19.343 11.123 1.00 0.00 N ATOM 816 CA SER A 54 -7.667 -18.584 10.147 1.00 0.00 C ATOM 817 C SER A 54 -6.386 -18.046 10.787 1.00 0.00 C ATOM 818 O SER A 54 -6.417 -17.042 11.497 1.00 0.00 O ATOM 819 CB SER A 54 -8.497 -17.434 9.572 1.00 0.00 C ATOM 820 OG SER A 54 -9.177 -17.811 8.378 1.00 0.00 O ATOM 0 H SER A 54 -9.438 -19.189 11.090 1.00 0.00 H new ATOM 0 HA SER A 54 -7.403 -19.251 9.326 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.224 -17.105 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.846 -16.585 9.365 1.00 0.00 H new ATOM 0 HG SER A 54 -9.426 -17.007 7.876 1.00 0.00 H new ATOM 826 N PRO A 55 -5.261 -18.756 10.507 1.00 0.00 N ATOM 827 CA PRO A 55 -3.972 -18.361 11.048 1.00 0.00 C ATOM 828 C PRO A 55 -3.422 -17.135 10.315 1.00 0.00 C ATOM 829 O PRO A 55 -2.923 -16.203 10.944 1.00 0.00 O ATOM 830 CB PRO A 55 -3.088 -19.588 10.896 1.00 0.00 C ATOM 831 CG PRO A 55 -3.770 -20.467 9.860 1.00 0.00 C ATOM 832 CD PRO A 55 -5.186 -19.950 9.670 1.00 0.00 C ATOM 0 HA PRO A 55 -4.031 -18.055 12.093 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.085 -19.309 10.572 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.982 -20.113 11.845 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.224 -20.440 8.917 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.784 -21.506 10.190 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.384 -19.714 8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.923 -20.693 9.974 1.00 0.00 H new ATOM 840 N SER A 56 -3.533 -17.175 8.995 1.00 0.00 N ATOM 841 CA SER A 56 -3.054 -16.080 8.170 1.00 0.00 C ATOM 842 C SER A 56 -4.194 -15.538 7.306 1.00 0.00 C ATOM 843 O SER A 56 -3.996 -14.612 6.520 1.00 0.00 O ATOM 844 CB SER A 56 -1.884 -16.524 7.289 1.00 0.00 C ATOM 845 OG SER A 56 -1.452 -15.487 6.413 1.00 0.00 O ATOM 0 H SER A 56 -3.948 -17.949 8.477 1.00 0.00 H new ATOM 0 HA SER A 56 -2.697 -15.287 8.828 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.052 -16.835 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.181 -17.393 6.703 1.00 0.00 H new ATOM 0 HG SER A 56 -2.211 -14.908 6.193 1.00 0.00 H new ATOM 851 N ILE A 57 -5.362 -16.137 7.480 1.00 0.00 N ATOM 852 CA ILE A 57 -6.534 -15.726 6.726 1.00 0.00 C ATOM 853 C ILE A 57 -6.334 -16.077 5.250 1.00 0.00 C ATOM 854 O ILE A 57 -5.228 -16.417 4.834 1.00 0.00 O ATOM 855 CB ILE A 57 -6.837 -14.247 6.971 1.00 0.00 C ATOM 856 CG1 ILE A 57 -7.068 -13.973 8.458 1.00 0.00 C ATOM 857 CG2 ILE A 57 -8.014 -13.779 6.113 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.492 -13.473 8.710 1.00 0.00 C ATOM 0 H ILE A 57 -5.522 -16.904 8.133 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.416 -16.269 7.066 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.966 -13.666 6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.892 -14.884 9.031 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.351 -13.231 8.810 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.209 -12.724 6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.773 -13.916 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.900 -14.363 6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.629 -13.286 9.775 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.657 -12.549 8.155 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.206 -14.227 8.379 1.00 0.00 H new ATOM 870 N THR A 58 -7.422 -15.983 4.500 1.00 0.00 N ATOM 871 CA THR A 58 -7.380 -16.286 3.079 1.00 0.00 C ATOM 872 C THR A 58 -8.735 -15.993 2.431 1.00 0.00 C ATOM 873 O THR A 58 -9.776 -16.381 2.959 1.00 0.00 O ATOM 874 CB THR A 58 -6.931 -17.740 2.919 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.175 -17.739 1.711 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.099 -18.684 2.627 1.00 0.00 C ATOM 0 H THR A 58 -8.338 -15.701 4.849 1.00 0.00 H new ATOM 0 HA THR A 58 -6.663 -15.650 2.560 1.00 0.00 H new ATOM 0 HB THR A 58 -6.420 -18.064 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.844 -18.644 1.532 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.726 -19.703 2.522 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.815 -18.642 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.590 -18.381 1.702 1.00 0.00 H new ATOM 884 N TYR A 59 -8.677 -15.311 1.297 1.00 0.00 N ATOM 885 CA TYR A 59 -9.886 -14.962 0.571 1.00 0.00 C ATOM 886 C TYR A 59 -9.552 -14.378 -0.803 1.00 0.00 C ATOM 887 O TYR A 59 -8.389 -14.345 -1.201 1.00 0.00 O ATOM 888 CB TYR A 59 -10.587 -13.891 1.410 1.00 0.00 C ATOM 889 CG TYR A 59 -9.656 -12.786 1.913 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.242 -11.789 1.054 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.229 -12.787 3.225 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.365 -10.749 1.527 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.353 -11.748 3.698 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.964 -10.780 2.826 1.00 0.00 C ATOM 895 OH TYR A 59 -7.136 -9.798 3.273 1.00 0.00 O ATOM 0 H TYR A 59 -7.811 -14.991 0.863 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.507 -15.844 0.414 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.381 -13.440 0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.063 -14.369 2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.576 -11.788 0.027 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.552 -13.568 3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.033 -9.963 0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.012 -11.737 4.723 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.385 -9.696 2.652 1.00 0.00 H new ATOM 905 N ASP A 60 -10.593 -13.933 -1.491 1.00 0.00 N ATOM 906 CA ASP A 60 -10.425 -13.353 -2.812 1.00 0.00 C ATOM 907 C ASP A 60 -10.033 -11.881 -2.672 1.00 0.00 C ATOM 908 O ASP A 60 -10.765 -11.094 -2.072 1.00 0.00 O ATOM 909 CB ASP A 60 -11.726 -13.421 -3.614 1.00 0.00 C ATOM 910 CG ASP A 60 -12.515 -14.723 -3.456 1.00 0.00 C ATOM 911 OD1 ASP A 60 -11.863 -15.788 -3.481 1.00 0.00 O ATOM 912 OD2 ASP A 60 -13.753 -14.622 -3.315 1.00 0.00 O ATOM 0 H ASP A 60 -11.557 -13.963 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.651 -13.918 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.363 -12.589 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.493 -13.281 -4.669 1.00 0.00 H new ATOM 917 N ILE A 61 -8.879 -11.552 -3.234 1.00 0.00 N ATOM 918 CA ILE A 61 -8.382 -10.188 -3.179 1.00 0.00 C ATOM 919 C ILE A 61 -9.528 -9.219 -3.476 1.00 0.00 C ATOM 920 O ILE A 61 -9.586 -8.129 -2.909 1.00 0.00 O ATOM 921 CB ILE A 61 -7.177 -10.019 -4.108 1.00 0.00 C ATOM 922 CG1 ILE A 61 -5.993 -9.399 -3.364 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.555 -9.217 -5.355 1.00 0.00 C ATOM 924 CD1 ILE A 61 -4.798 -9.206 -4.299 1.00 0.00 C ATOM 0 H ILE A 61 -8.274 -12.207 -3.730 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.019 -9.955 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.863 -11.007 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.287 -8.438 -2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.707 -10.040 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.681 -9.111 -5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.344 -9.738 -5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.909 -8.230 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.970 -8.764 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.491 -10.171 -4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.080 -8.545 -5.118 1.00 0.00 H new ATOM 936 N SER A 62 -10.411 -9.651 -4.364 1.00 0.00 N ATOM 937 CA SER A 62 -11.552 -8.836 -4.743 1.00 0.00 C ATOM 938 C SER A 62 -12.492 -8.664 -3.548 1.00 0.00 C ATOM 939 O SER A 62 -12.967 -7.562 -3.280 1.00 0.00 O ATOM 940 CB SER A 62 -12.302 -9.453 -5.925 1.00 0.00 C ATOM 941 OG SER A 62 -12.294 -8.600 -7.066 1.00 0.00 O ATOM 0 H SER A 62 -10.359 -10.556 -4.832 1.00 0.00 H new ATOM 0 HA SER A 62 -11.185 -7.857 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.847 -10.409 -6.184 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.332 -9.659 -5.633 1.00 0.00 H new ATOM 0 HG SER A 62 -12.781 -9.030 -7.799 1.00 0.00 H new ATOM 947 N GLN A 63 -12.734 -9.772 -2.863 1.00 0.00 N ATOM 948 CA GLN A 63 -13.609 -9.758 -1.703 1.00 0.00 C ATOM 949 C GLN A 63 -13.095 -8.763 -0.661 1.00 0.00 C ATOM 950 O GLN A 63 -13.878 -8.191 0.096 1.00 0.00 O ATOM 951 CB GLN A 63 -13.746 -11.159 -1.103 1.00 0.00 C ATOM 952 CG GLN A 63 -15.155 -11.384 -0.551 1.00 0.00 C ATOM 953 CD GLN A 63 -16.083 -11.947 -1.629 1.00 0.00 C ATOM 954 OE1 GLN A 63 -15.655 -12.398 -2.679 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.374 -11.896 -1.313 1.00 0.00 N ATOM 0 H GLN A 63 -12.340 -10.685 -3.089 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.600 -9.437 -2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.526 -11.908 -1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.014 -11.290 -0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.113 -12.072 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.557 -10.443 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.665 -11.506 -0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.073 -12.247 -1.967 1.00 0.00 H new ATOM 964 N LEU A 64 -11.782 -8.586 -0.657 1.00 0.00 N ATOM 965 CA LEU A 64 -11.154 -7.669 0.279 1.00 0.00 C ATOM 966 C LEU A 64 -11.598 -6.240 -0.037 1.00 0.00 C ATOM 967 O LEU A 64 -11.898 -5.464 0.869 1.00 0.00 O ATOM 968 CB LEU A 64 -9.635 -7.856 0.275 1.00 0.00 C ATOM 969 CG LEU A 64 -8.801 -6.576 0.362 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.260 -5.701 1.529 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.308 -6.899 0.440 1.00 0.00 C ATOM 0 H LEU A 64 -11.136 -9.062 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.476 -7.885 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.366 -8.499 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.357 -8.386 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.959 -6.003 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.651 -4.798 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.306 -5.428 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.151 -6.253 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.738 -5.972 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.112 -7.504 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.008 -7.451 -0.451 1.00 0.00 H new ATOM 983 N PHE A 65 -11.626 -5.935 -1.326 1.00 0.00 N ATOM 984 CA PHE A 65 -12.028 -4.612 -1.774 1.00 0.00 C ATOM 985 C PHE A 65 -13.518 -4.377 -1.518 1.00 0.00 C ATOM 986 O PHE A 65 -13.960 -3.234 -1.408 1.00 0.00 O ATOM 987 CB PHE A 65 -11.765 -4.550 -3.280 1.00 0.00 C ATOM 988 CG PHE A 65 -10.298 -4.753 -3.664 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.327 -4.653 -2.718 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.966 -5.034 -4.953 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.966 -4.842 -3.074 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.604 -5.222 -5.310 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.633 -5.122 -4.363 1.00 0.00 C ATOM 0 H PHE A 65 -11.377 -6.581 -2.075 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.468 -3.849 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.368 -5.311 -3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.098 -3.583 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.591 -4.430 -1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.738 -5.114 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.195 -4.764 -2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.340 -5.444 -6.333 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.597 -5.265 -4.634 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.252 -5.476 -1.432 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.683 -5.404 -1.191 1.00 0.00 C ATOM 1005 C ASP A 66 -15.952 -4.460 -0.017 1.00 0.00 C ATOM 1006 O ASP A 66 -17.042 -3.903 0.100 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.252 -6.778 -0.832 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.628 -7.085 -1.428 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -17.776 -6.874 -2.651 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.499 -7.522 -0.646 1.00 0.00 O ATOM 0 H ASP A 66 -13.882 -6.422 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.160 -5.043 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.550 -7.543 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.318 -6.855 0.253 1.00 0.00 H new ATOM 1015 N PHE A 67 -14.938 -4.309 0.823 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.051 -3.443 1.984 1.00 0.00 C ATOM 1017 C PHE A 67 -14.487 -2.052 1.686 1.00 0.00 C ATOM 1018 O PHE A 67 -14.941 -1.060 2.254 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.229 -4.085 3.103 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.485 -3.079 3.983 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.162 -2.362 4.919 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.145 -2.902 3.830 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.471 -1.428 5.736 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.454 -1.969 4.648 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.132 -1.252 5.583 1.00 0.00 C ATOM 0 H PHE A 67 -14.035 -4.772 0.722 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.098 -3.329 2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -14.891 -4.681 3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.506 -4.771 2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.226 -2.503 5.041 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.607 -3.471 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.009 -0.858 6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.390 -1.829 4.527 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.606 -0.542 6.205 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.506 -2.024 0.796 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.875 -0.771 0.417 1.00 0.00 C ATOM 1037 C ILE A 68 -13.924 0.156 -0.201 1.00 0.00 C ATOM 1038 O ILE A 68 -13.798 1.377 -0.128 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.673 -1.031 -0.492 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.431 -1.386 0.329 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.423 0.157 -1.424 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.319 -1.932 -0.568 1.00 0.00 C ATOM 0 H ILE A 68 -13.133 -2.849 0.326 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.477 -0.263 1.296 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.901 -1.892 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.075 -0.502 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.690 -2.127 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.563 -0.054 -2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.302 0.322 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.225 1.050 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.448 -2.176 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.670 -2.830 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.046 -1.179 -1.307 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.936 -0.460 -0.795 1.00 0.00 N ATOM 1055 CA ASP A 69 -16.006 0.295 -1.425 1.00 0.00 C ATOM 1056 C ASP A 69 -16.851 0.972 -0.344 1.00 0.00 C ATOM 1057 O ASP A 69 -17.113 2.172 -0.416 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.922 -0.621 -2.237 1.00 0.00 C ATOM 1059 CG ASP A 69 -16.987 -0.309 -3.733 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -16.960 0.896 -4.063 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -17.063 -1.283 -4.513 1.00 0.00 O ATOM 0 H ASP A 69 -15.037 -1.473 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.554 1.032 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.587 -1.650 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.929 -0.561 -1.825 1.00 0.00 H new ATOM 1066 N ASP A 70 -17.255 0.173 0.633 1.00 0.00 N ATOM 1067 CA ASP A 70 -18.065 0.680 1.727 1.00 0.00 C ATOM 1068 C ASP A 70 -17.472 1.998 2.228 1.00 0.00 C ATOM 1069 O ASP A 70 -18.201 2.960 2.468 1.00 0.00 O ATOM 1070 CB ASP A 70 -18.086 -0.304 2.899 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.199 -0.068 3.922 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -19.045 0.880 4.720 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -20.180 -0.843 3.881 1.00 0.00 O ATOM 0 H ASP A 70 -17.036 -0.822 0.689 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.080 0.822 1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.185 -1.315 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.125 -0.255 3.412 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.155 2.001 2.370 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.455 3.186 2.837 1.00 0.00 C ATOM 1080 C LEU A 71 -15.987 4.413 2.094 1.00 0.00 C ATOM 1081 O LEU A 71 -16.541 4.290 1.002 1.00 0.00 O ATOM 1082 CB LEU A 71 -13.942 2.999 2.713 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.319 1.945 3.630 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.825 1.784 3.345 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.590 2.269 5.101 1.00 0.00 C ATOM 0 H LEU A 71 -15.554 1.202 2.170 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.646 3.348 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.712 2.735 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.460 3.956 2.913 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.792 0.986 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.407 1.029 4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.683 1.474 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.318 2.735 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.136 1.504 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.161 3.241 5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.666 2.293 5.276 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.799 5.569 2.714 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.252 6.817 2.124 1.00 0.00 C ATOM 1099 C ALA A 72 -15.261 7.255 1.044 1.00 0.00 C ATOM 1100 O ALA A 72 -15.656 7.832 0.031 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.419 7.869 3.222 1.00 0.00 C ATOM 0 H ALA A 72 -15.339 5.667 3.619 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.223 6.686 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.759 8.806 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.154 7.523 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.463 8.029 3.721 1.00 0.00 H new ATOM 1107 N ASP A 73 -13.993 6.964 1.296 1.00 0.00 N ATOM 1108 CA ASP A 73 -12.943 7.321 0.357 1.00 0.00 C ATOM 1109 C ASP A 73 -11.580 7.113 1.020 1.00 0.00 C ATOM 1110 O ASP A 73 -11.181 7.891 1.885 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.049 8.791 -0.056 1.00 0.00 C ATOM 1112 CG ASP A 73 -11.795 9.369 -0.714 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.195 8.639 -1.533 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.464 10.528 -0.384 1.00 0.00 O ATOM 0 H ASP A 73 -13.669 6.485 2.136 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.051 6.690 -0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.886 8.900 -0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.284 9.385 0.827 1.00 0.00 H new ATOM 1119 N LEU A 74 -10.903 6.059 0.589 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.593 5.739 1.130 1.00 0.00 C ATOM 1121 C LEU A 74 -8.512 6.247 0.173 1.00 0.00 C ATOM 1122 O LEU A 74 -8.660 6.147 -1.044 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.490 4.243 1.435 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.074 3.690 1.610 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.599 3.846 3.056 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -7.990 2.239 1.132 1.00 0.00 C ATOM 0 H LEU A 74 -11.237 5.416 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.440 6.247 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.054 4.038 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.976 3.694 0.629 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.399 4.275 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.590 3.445 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.597 4.902 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.271 3.302 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.973 1.870 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.679 1.625 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.257 2.188 0.077 1.00 0.00 H new ATOM 1138 N SER A 75 -7.450 6.780 0.759 1.00 0.00 N ATOM 1139 CA SER A 75 -6.346 7.304 -0.026 1.00 0.00 C ATOM 1140 C SER A 75 -5.027 7.090 0.719 1.00 0.00 C ATOM 1141 O SER A 75 -5.018 6.587 1.841 1.00 0.00 O ATOM 1142 CB SER A 75 -6.546 8.788 -0.337 1.00 0.00 C ATOM 1143 OG SER A 75 -7.577 8.999 -1.298 1.00 0.00 O ATOM 0 H SER A 75 -7.331 6.860 1.769 1.00 0.00 H new ATOM 0 HA SER A 75 -6.313 6.765 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.792 9.321 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.612 9.209 -0.709 1.00 0.00 H new ATOM 0 HG SER A 75 -8.006 8.144 -1.511 1.00 0.00 H new ATOM 1149 N CYS A 76 -3.944 7.484 0.064 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.622 7.342 0.651 1.00 0.00 C ATOM 1151 C CYS A 76 -1.680 8.328 -0.044 1.00 0.00 C ATOM 1152 O CYS A 76 -1.971 8.802 -1.141 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.113 5.903 0.556 1.00 0.00 C ATOM 1154 SG CYS A 76 -1.767 5.475 -1.190 1.00 0.00 S ATOM 0 H CYS A 76 -3.955 7.901 -0.867 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.667 7.572 1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.208 5.788 1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.855 5.218 0.967 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.811 4.595 -1.240 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.571 8.609 0.625 1.00 0.00 N ATOM 1161 CA LEU A 77 0.415 9.530 0.086 1.00 0.00 C ATOM 1162 C LEU A 77 1.756 8.808 -0.056 1.00 0.00 C ATOM 1163 O LEU A 77 2.215 8.154 0.880 1.00 0.00 O ATOM 1164 CB LEU A 77 0.486 10.798 0.939 1.00 0.00 C ATOM 1165 CG LEU A 77 -0.797 11.628 1.015 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.407 11.823 -0.375 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -1.794 11.009 1.996 1.00 0.00 C ATOM 0 H LEU A 77 -0.334 8.215 1.535 1.00 0.00 H new ATOM 0 HA LEU A 77 0.123 9.861 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.773 10.515 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.282 11.431 0.548 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.542 12.617 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.318 12.416 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.693 12.341 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.645 10.851 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.697 11.619 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.049 10.001 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.347 10.965 2.989 1.00 0.00 H new ATOM 1179 N VAL A 78 2.347 8.951 -1.233 1.00 0.00 N ATOM 1180 CA VAL A 78 3.627 8.321 -1.509 1.00 0.00 C ATOM 1181 C VAL A 78 4.656 9.398 -1.860 1.00 0.00 C ATOM 1182 O VAL A 78 4.445 10.187 -2.780 1.00 0.00 O ATOM 1183 CB VAL A 78 3.466 7.268 -2.607 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.827 6.842 -3.162 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.679 6.059 -2.097 1.00 0.00 C ATOM 0 H VAL A 78 1.963 9.494 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 78 3.993 7.797 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 78 2.898 7.718 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.684 6.093 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.336 7.709 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.431 6.420 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.579 5.326 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.208 5.609 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.689 6.380 -1.773 1.00 0.00 H new ATOM 1195 N TYR A 79 5.747 9.396 -1.108 1.00 0.00 N ATOM 1196 CA TYR A 79 6.809 10.363 -1.327 1.00 0.00 C ATOM 1197 C TYR A 79 7.631 10.002 -2.566 1.00 0.00 C ATOM 1198 O TYR A 79 7.969 8.838 -2.774 1.00 0.00 O ATOM 1199 CB TYR A 79 7.709 10.289 -0.093 1.00 0.00 C ATOM 1200 CG TYR A 79 8.413 11.605 0.244 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.300 12.163 -0.654 1.00 0.00 C ATOM 1202 CD2 TYR A 79 8.161 12.234 1.446 1.00 0.00 C ATOM 1203 CE1 TYR A 79 9.962 13.401 -0.337 1.00 0.00 C ATOM 1204 CE2 TYR A 79 8.824 13.473 1.764 1.00 0.00 C ATOM 1205 CZ TYR A 79 9.692 13.995 0.856 1.00 0.00 C ATOM 1206 OH TYR A 79 10.317 15.165 1.156 1.00 0.00 O ATOM 0 H TYR A 79 5.918 8.740 -0.346 1.00 0.00 H new ATOM 0 HA TYR A 79 6.395 11.359 -1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.109 9.980 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.461 9.516 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.497 11.671 -1.595 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.467 11.797 2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.658 13.848 -1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.636 13.976 2.701 1.00 0.00 H new ATOM 0 HH TYR A 79 10.026 15.474 2.040 1.00 0.00 H new ATOM 1216 N ARG A 80 7.930 11.022 -3.357 1.00 0.00 N ATOM 1217 CA ARG A 80 8.707 10.827 -4.569 1.00 0.00 C ATOM 1218 C ARG A 80 9.747 11.940 -4.718 1.00 0.00 C ATOM 1219 O ARG A 80 9.501 12.937 -5.394 1.00 0.00 O ATOM 1220 CB ARG A 80 7.805 10.813 -5.805 1.00 0.00 C ATOM 1221 CG ARG A 80 6.654 11.811 -5.655 1.00 0.00 C ATOM 1222 CD ARG A 80 5.717 11.751 -6.863 1.00 0.00 C ATOM 1223 NE ARG A 80 6.462 11.305 -8.061 1.00 0.00 N ATOM 1224 CZ ARG A 80 6.618 10.022 -8.414 1.00 0.00 C ATOM 1225 NH1 ARG A 80 6.081 9.050 -7.663 1.00 0.00 N ATOM 1226 NH2 ARG A 80 7.310 9.710 -9.518 1.00 0.00 N ATOM 0 H ARG A 80 7.648 11.986 -3.182 1.00 0.00 H new ATOM 0 HA ARG A 80 9.210 9.863 -4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.391 11.059 -6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.405 9.811 -5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.095 11.593 -4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.054 12.820 -5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.894 11.066 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.278 12.733 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 80 6.883 12.019 -8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.554 9.287 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.200 8.073 -7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.718 10.449 -10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.429 8.733 -9.786 1.00 0.00 H new ATOM 1240 N ALA A 81 10.886 11.730 -4.075 1.00 0.00 N ATOM 1241 CA ALA A 81 11.965 12.703 -4.128 1.00 0.00 C ATOM 1242 C ALA A 81 12.081 13.252 -5.551 1.00 0.00 C ATOM 1243 O ALA A 81 12.427 14.417 -5.745 1.00 0.00 O ATOM 1244 CB ALA A 81 13.263 12.053 -3.646 1.00 0.00 C ATOM 0 H ALA A 81 11.086 10.901 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 81 11.757 13.544 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.072 12.783 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.137 11.706 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.506 11.206 -4.288 1.00 0.00 H new ATOM 1250 N ASP A 82 11.786 12.388 -6.511 1.00 0.00 N ATOM 1251 CA ASP A 82 11.853 12.772 -7.911 1.00 0.00 C ATOM 1252 C ASP A 82 11.275 14.179 -8.077 1.00 0.00 C ATOM 1253 O ASP A 82 11.868 15.022 -8.750 1.00 0.00 O ATOM 1254 CB ASP A 82 11.034 11.819 -8.784 1.00 0.00 C ATOM 1255 CG ASP A 82 11.827 10.665 -9.401 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.768 10.197 -8.724 1.00 0.00 O ATOM 1257 OD2 ASP A 82 11.475 10.277 -10.535 1.00 0.00 O ATOM 0 H ASP A 82 11.500 11.423 -6.347 1.00 0.00 H new ATOM 0 HA ASP A 82 12.898 12.737 -8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.225 11.404 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.572 12.393 -9.587 1.00 0.00 H new ATOM 1262 N THR A 83 10.126 14.390 -7.453 1.00 0.00 N ATOM 1263 CA THR A 83 9.462 15.681 -7.524 1.00 0.00 C ATOM 1264 C THR A 83 9.435 16.343 -6.145 1.00 0.00 C ATOM 1265 O THR A 83 9.195 17.544 -6.034 1.00 0.00 O ATOM 1266 CB THR A 83 8.070 15.464 -8.120 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.452 14.535 -7.233 1.00 0.00 O ATOM 1268 CG2 THR A 83 8.115 14.726 -9.460 1.00 0.00 C ATOM 0 H THR A 83 9.638 13.689 -6.896 1.00 0.00 H new ATOM 0 HA THR A 83 10.005 16.370 -8.171 1.00 0.00 H new ATOM 0 HB THR A 83 7.579 16.428 -8.252 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.675 13.621 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.101 14.598 -9.839 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.699 15.305 -10.175 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.577 13.748 -9.322 1.00 0.00 H new ATOM 1276 N GLN A 84 9.686 15.531 -5.129 1.00 0.00 N ATOM 1277 CA GLN A 84 9.695 16.023 -3.762 1.00 0.00 C ATOM 1278 C GLN A 84 8.293 16.482 -3.354 1.00 0.00 C ATOM 1279 O GLN A 84 8.106 17.627 -2.945 1.00 0.00 O ATOM 1280 CB GLN A 84 10.713 17.153 -3.592 1.00 0.00 C ATOM 1281 CG GLN A 84 12.080 16.602 -3.182 1.00 0.00 C ATOM 1282 CD GLN A 84 12.418 16.989 -1.741 1.00 0.00 C ATOM 1283 OE1 GLN A 84 13.331 17.752 -1.474 1.00 0.00 O ATOM 1284 NE2 GLN A 84 11.632 16.422 -0.830 1.00 0.00 N ATOM 0 H GLN A 84 9.885 14.535 -5.225 1.00 0.00 H new ATOM 0 HA GLN A 84 9.995 15.207 -3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.806 17.707 -4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.359 17.856 -2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.083 15.516 -3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.847 16.985 -3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.885 15.792 -1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.776 16.617 0.161 1.00 0.00 H new ATOM 1293 N THR A 85 7.345 15.566 -3.481 1.00 0.00 N ATOM 1294 CA THR A 85 5.966 15.862 -3.131 1.00 0.00 C ATOM 1295 C THR A 85 5.223 14.578 -2.756 1.00 0.00 C ATOM 1296 O THR A 85 5.825 13.508 -2.681 1.00 0.00 O ATOM 1297 CB THR A 85 5.331 16.611 -4.304 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.264 17.346 -3.710 1.00 0.00 O ATOM 1299 CG2 THR A 85 4.634 15.672 -5.290 1.00 0.00 C ATOM 0 H THR A 85 7.504 14.618 -3.822 1.00 0.00 H new ATOM 0 HA THR A 85 5.910 16.501 -2.250 1.00 0.00 H new ATOM 0 HB THR A 85 6.098 17.182 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.798 17.863 -4.401 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.201 16.255 -6.103 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.359 14.967 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.845 15.124 -4.775 1.00 0.00 H new ATOM 1307 N TYR A 86 3.926 14.727 -2.532 1.00 0.00 N ATOM 1308 CA TYR A 86 3.094 13.593 -2.168 1.00 0.00 C ATOM 1309 C TYR A 86 1.973 13.385 -3.187 1.00 0.00 C ATOM 1310 O TYR A 86 1.193 14.299 -3.453 1.00 0.00 O ATOM 1311 CB TYR A 86 2.477 13.941 -0.812 1.00 0.00 C ATOM 1312 CG TYR A 86 1.504 15.121 -0.856 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.988 16.411 -0.933 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.143 14.896 -0.818 1.00 0.00 C ATOM 1315 CE1 TYR A 86 1.072 17.522 -0.974 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.772 16.007 -0.859 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.262 17.265 -0.936 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.127 18.314 -0.975 1.00 0.00 O ATOM 0 H TYR A 86 3.431 15.616 -2.596 1.00 0.00 H new ATOM 0 HA TYR A 86 3.686 12.678 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.954 13.066 -0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.277 14.169 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.053 16.588 -0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.236 13.886 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.437 18.537 -1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.839 15.845 -0.829 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.048 17.980 -0.942 1.00 0.00 H new ATOM 1328 N GLN A 87 1.926 12.177 -3.731 1.00 0.00 N ATOM 1329 CA GLN A 87 0.913 11.838 -4.715 1.00 0.00 C ATOM 1330 C GLN A 87 -0.283 11.167 -4.037 1.00 0.00 C ATOM 1331 O GLN A 87 -0.173 10.044 -3.547 1.00 0.00 O ATOM 1332 CB GLN A 87 1.493 10.945 -5.814 1.00 0.00 C ATOM 1333 CG GLN A 87 1.185 11.510 -7.201 1.00 0.00 C ATOM 1334 CD GLN A 87 0.146 10.651 -7.925 1.00 0.00 C ATOM 1335 OE1 GLN A 87 0.365 10.157 -9.019 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -0.994 10.501 -7.256 1.00 0.00 N ATOM 0 H GLN A 87 2.574 11.421 -3.508 1.00 0.00 H new ATOM 0 HA GLN A 87 0.569 12.759 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.572 10.858 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.079 9.940 -5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.816 12.531 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.100 11.554 -7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.112 10.942 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.750 9.945 -7.655 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.427 11.902 -4.029 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.642 11.390 -3.419 1.00 0.00 C ATOM 1347 C PRO A 88 -3.292 10.324 -4.303 1.00 0.00 C ATOM 1348 O PRO A 88 -3.851 10.638 -5.352 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.524 12.610 -3.215 1.00 0.00 C ATOM 1350 CG PRO A 88 -2.969 13.685 -4.135 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.593 13.236 -4.600 1.00 0.00 C ATOM 0 HA PRO A 88 -2.456 10.886 -2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.563 12.386 -3.458 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.504 12.937 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.630 13.835 -4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.903 14.639 -3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.531 13.212 -5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.816 13.916 -4.251 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.196 9.083 -3.846 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.768 7.969 -4.582 1.00 0.00 C ATOM 1361 C TYR A 89 -5.127 7.570 -4.005 1.00 0.00 C ATOM 1362 O TYR A 89 -5.283 7.466 -2.789 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.792 6.804 -4.409 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.444 7.012 -5.103 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.394 7.604 -6.349 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.279 6.608 -4.484 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.126 7.800 -7.002 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.989 6.804 -5.137 1.00 0.00 C ATOM 1369 CZ TYR A 89 1.003 7.391 -6.364 1.00 0.00 C ATOM 1370 OH TYR A 89 2.201 7.576 -6.981 1.00 0.00 O ATOM 0 H TYR A 89 -2.731 8.825 -2.976 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.918 8.237 -5.628 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.620 6.643 -3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.253 5.896 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.306 7.920 -6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.318 6.145 -3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.073 8.262 -7.977 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.908 6.492 -4.663 1.00 0.00 H new ATOM 0 HH TYR A 89 2.920 7.237 -6.408 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.077 7.357 -4.903 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.418 6.972 -4.498 1.00 0.00 C ATOM 1382 C ASN A 90 -7.425 5.490 -4.116 1.00 0.00 C ATOM 1383 O ASN A 90 -6.480 4.763 -4.419 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.417 7.170 -5.640 1.00 0.00 C ATOM 1385 CG ASN A 90 -8.802 8.644 -5.782 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -7.965 9.529 -5.828 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.114 8.856 -5.847 1.00 0.00 N ATOM 0 H ASN A 90 -5.945 7.444 -5.911 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.707 7.597 -3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.983 6.812 -6.574 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.310 6.573 -5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.473 9.806 -5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.761 8.068 -5.803 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.501 5.087 -3.457 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.643 3.705 -3.030 1.00 0.00 C ATOM 1396 C LYS A 91 -8.417 2.780 -4.228 1.00 0.00 C ATOM 1397 O LYS A 91 -7.927 1.663 -4.070 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.991 3.494 -2.337 1.00 0.00 C ATOM 1399 CG LYS A 91 -11.137 4.047 -3.186 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.421 3.246 -2.963 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.514 4.121 -2.347 1.00 0.00 C ATOM 1402 NZ LYS A 91 -14.418 4.638 -3.398 1.00 0.00 N ATOM 0 H LYS A 91 -9.283 5.693 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.886 3.456 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.148 2.431 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.985 3.985 -1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.309 5.093 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.862 4.014 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.769 2.838 -3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.216 2.399 -2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.085 3.543 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.061 4.953 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.154 5.230 -2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.872 5.207 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.864 3.841 -3.895 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.783 3.280 -5.398 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.626 2.513 -6.622 1.00 0.00 C ATOM 1418 C ASP A 92 -7.140 2.236 -6.858 1.00 0.00 C ATOM 1419 O ASP A 92 -6.757 1.111 -7.179 1.00 0.00 O ATOM 1420 CB ASP A 92 -9.160 3.286 -7.830 1.00 0.00 C ATOM 1421 CG ASP A 92 -9.585 2.419 -9.016 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -9.739 1.197 -8.800 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -9.745 2.997 -10.113 1.00 0.00 O ATOM 0 H ASP A 92 -9.188 4.207 -5.525 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.186 1.585 -6.512 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -10.014 3.883 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.391 3.982 -8.165 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.342 3.280 -6.690 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.906 3.163 -6.880 1.00 0.00 C ATOM 1430 C TRP A 93 -4.356 2.252 -5.781 1.00 0.00 C ATOM 1431 O TRP A 93 -3.401 1.510 -6.005 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.242 4.541 -6.902 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.713 4.496 -6.870 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.859 4.745 -7.873 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.886 4.170 -5.733 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.547 4.604 -7.467 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.564 4.243 -6.124 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -2.242 3.825 -4.418 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.506 3.985 -5.260 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -1.161 3.570 -3.566 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.175 3.640 -3.945 1.00 0.00 C ATOM 0 H TRP A 93 -6.663 4.211 -6.424 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.680 2.716 -7.848 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.561 5.072 -7.799 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.596 5.117 -6.047 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.160 5.021 -8.873 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.282 4.740 -8.045 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.269 3.762 -4.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.532 4.049 -5.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.380 3.300 -2.543 1.00 0.00 H new ATOM 0 HH2 TRP A 93 0.954 3.429 -3.227 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.982 2.338 -4.616 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.568 1.531 -3.482 1.00 0.00 C ATOM 1454 C ILE A 94 -4.923 0.066 -3.747 1.00 0.00 C ATOM 1455 O ILE A 94 -4.055 -0.805 -3.700 1.00 0.00 O ATOM 1456 CB ILE A 94 -5.163 2.083 -2.185 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.877 3.580 -2.045 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.669 1.289 -0.974 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.884 4.244 -1.103 1.00 0.00 C ATOM 0 H ILE A 94 -5.773 2.955 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.487 1.580 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.246 1.964 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.866 3.727 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.921 4.056 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.107 1.702 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.965 0.245 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.583 1.354 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.659 5.307 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.892 4.116 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.820 3.782 -0.118 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.199 -0.160 -4.019 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.680 -1.504 -4.291 1.00 0.00 C ATOM 1473 C LYS A 95 -5.682 -2.223 -5.201 1.00 0.00 C ATOM 1474 O LYS A 95 -5.572 -3.448 -5.162 1.00 0.00 O ATOM 1475 CB LYS A 95 -8.103 -1.461 -4.852 1.00 0.00 C ATOM 1476 CG LYS A 95 -9.135 -1.411 -3.724 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.465 -0.840 -4.223 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.607 -1.025 -5.735 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.034 -0.997 -6.128 1.00 0.00 N ATOM 0 H LYS A 95 -6.915 0.565 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.744 -2.080 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.218 -0.588 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.280 -2.339 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.292 -2.413 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.756 -0.798 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.292 -1.335 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.526 0.220 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.064 -0.237 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.159 -1.972 -6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.113 -1.124 -7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.542 -1.765 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.450 -0.083 -5.859 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.979 -1.432 -5.998 1.00 0.00 N ATOM 1494 CA GLU A 96 -3.994 -1.978 -6.916 1.00 0.00 C ATOM 1495 C GLU A 96 -2.734 -2.396 -6.155 1.00 0.00 C ATOM 1496 O GLU A 96 -2.376 -3.573 -6.141 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.659 -0.974 -8.021 1.00 0.00 C ATOM 1498 CG GLU A 96 -4.922 -0.541 -8.769 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.034 -1.257 -10.116 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.239 -0.907 -11.014 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -5.914 -2.140 -10.217 1.00 0.00 O ATOM 0 H GLU A 96 -5.072 -0.417 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.419 -2.863 -7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.171 -0.101 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.952 -1.420 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.801 -0.760 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.904 0.537 -8.927 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.098 -1.410 -5.541 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.886 -1.661 -4.780 1.00 0.00 C ATOM 1510 C LYS A 97 -1.112 -2.852 -3.847 1.00 0.00 C ATOM 1511 O LYS A 97 -0.367 -3.830 -3.891 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.434 -0.390 -4.057 1.00 0.00 C ATOM 1513 CG LYS A 97 0.565 0.398 -4.906 1.00 0.00 C ATOM 1514 CD LYS A 97 0.189 0.343 -6.388 1.00 0.00 C ATOM 1515 CE LYS A 97 0.808 1.513 -7.155 1.00 0.00 C ATOM 1516 NZ LYS A 97 1.713 1.017 -8.216 1.00 0.00 N ATOM 0 H LYS A 97 -2.399 -0.436 -5.555 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.066 -1.929 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.300 0.234 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.022 -0.653 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.592 1.435 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.567 -0.008 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.529 -0.599 -6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.896 0.368 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.020 2.123 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.360 2.154 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.124 1.824 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.475 0.454 -7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.176 0.424 -8.881 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.143 -2.730 -3.024 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.477 -3.785 -2.082 1.00 0.00 C ATOM 1532 C ILE A 98 -2.555 -5.120 -2.824 1.00 0.00 C ATOM 1533 O ILE A 98 -2.036 -6.130 -2.349 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.753 -3.433 -1.314 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.280 -4.645 -0.543 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.811 -2.844 -2.249 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.365 -4.231 0.454 1.00 0.00 C ATOM 0 H ILE A 98 -2.758 -1.917 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.696 -3.884 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.509 -2.665 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.684 -5.378 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.459 -5.128 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.707 -2.603 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.422 -1.938 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.058 -3.571 -3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.723 -5.111 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.951 -3.517 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.195 -3.770 -0.082 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.207 -5.083 -3.977 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.359 -6.278 -4.790 1.00 0.00 C ATOM 1551 C TYR A 99 -2.000 -6.791 -5.270 1.00 0.00 C ATOM 1552 O TYR A 99 -1.589 -7.896 -4.918 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.191 -5.860 -6.003 1.00 0.00 C ATOM 1554 CG TYR A 99 -3.748 -6.510 -7.316 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -4.152 -7.795 -7.620 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -2.945 -5.813 -8.195 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.736 -8.407 -8.855 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -2.529 -6.426 -9.430 1.00 0.00 C ATOM 1559 CZ TYR A 99 -2.945 -7.692 -9.699 1.00 0.00 C ATOM 1560 OH TYR A 99 -2.551 -8.271 -10.865 1.00 0.00 O ATOM 0 H TYR A 99 -3.636 -4.244 -4.368 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.830 -7.076 -4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.235 -6.112 -5.819 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -4.139 -4.777 -6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -4.780 -8.341 -6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.629 -4.808 -7.957 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.045 -9.411 -9.105 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.900 -5.892 -10.127 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.991 -7.644 -11.369 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.339 -5.964 -6.067 1.00 0.00 N ATOM 1571 CA VAL A 100 -0.035 -6.320 -6.600 1.00 0.00 C ATOM 1572 C VAL A 100 0.926 -6.596 -5.442 1.00 0.00 C ATOM 1573 O VAL A 100 1.939 -7.272 -5.618 1.00 0.00 O ATOM 1574 CB VAL A 100 0.463 -5.222 -7.542 1.00 0.00 C ATOM 1575 CG1 VAL A 100 0.536 -3.874 -6.822 1.00 0.00 C ATOM 1576 CG2 VAL A 100 1.818 -5.593 -8.149 1.00 0.00 C ATOM 0 H VAL A 100 -1.682 -5.048 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.101 -7.232 -7.193 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.255 -5.129 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.893 -3.111 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.455 -3.601 -6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.222 -3.949 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.149 -4.796 -8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.549 -5.727 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.722 -6.520 -8.714 1.00 0.00 H new ATOM 1586 N LEU A 101 0.575 -6.058 -4.283 1.00 0.00 N ATOM 1587 CA LEU A 101 1.394 -6.238 -3.096 1.00 0.00 C ATOM 1588 C LEU A 101 1.360 -7.709 -2.677 1.00 0.00 C ATOM 1589 O LEU A 101 2.394 -8.288 -2.346 1.00 0.00 O ATOM 1590 CB LEU A 101 0.956 -5.274 -1.992 1.00 0.00 C ATOM 1591 CG LEU A 101 1.303 -5.690 -0.561 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.668 -5.137 -0.145 1.00 0.00 C ATOM 1593 CD2 LEU A 101 0.197 -5.280 0.413 1.00 0.00 C ATOM 0 H LEU A 101 -0.265 -5.497 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 101 2.434 -5.991 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.408 -4.301 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.124 -5.143 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 101 1.373 -6.777 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.890 -5.447 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.436 -5.521 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.651 -4.048 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.469 -5.588 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.070 -4.198 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.738 -5.762 0.126 1.00 0.00 H new ATOM 1605 N LEU A 102 0.161 -8.272 -2.703 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.021 -9.664 -2.330 1.00 0.00 C ATOM 1607 C LEU A 102 0.485 -10.561 -3.461 1.00 0.00 C ATOM 1608 O LEU A 102 1.021 -11.640 -3.210 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.477 -9.928 -1.940 1.00 0.00 C ATOM 1610 CG LEU A 102 -1.983 -9.192 -0.697 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -0.823 -8.564 0.078 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.051 -8.161 -1.068 1.00 0.00 C ATOM 0 H LEU A 102 -0.694 -7.789 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 102 0.570 -9.902 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.113 -9.657 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.601 -10.999 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.454 -9.920 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.210 -8.047 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.130 -9.345 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.301 -7.852 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.394 -7.652 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.628 -7.431 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.893 -8.664 -1.543 1.00 0.00 H new ATOM 1624 N ARG A 103 0.297 -10.083 -4.682 1.00 0.00 N ATOM 1625 CA ARG A 103 0.729 -10.828 -5.852 1.00 0.00 C ATOM 1626 C ARG A 103 2.247 -11.018 -5.831 1.00 0.00 C ATOM 1627 O ARG A 103 2.739 -12.133 -5.996 1.00 0.00 O ATOM 1628 CB ARG A 103 0.329 -10.108 -7.142 1.00 0.00 C ATOM 1629 CG ARG A 103 -1.168 -9.791 -7.151 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.960 -10.906 -7.837 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.826 -12.166 -7.072 1.00 0.00 N ATOM 1632 CZ ARG A 103 -1.929 -13.387 -7.614 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.168 -13.521 -8.925 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.792 -14.475 -6.843 1.00 0.00 N ATOM 0 H ARG A 103 -0.149 -9.189 -4.887 1.00 0.00 H new ATOM 0 HA ARG A 103 0.238 -11.801 -5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 103 0.900 -9.185 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.578 -10.730 -8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.523 -9.664 -6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.340 -8.847 -7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.011 -10.625 -7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.597 -11.048 -8.855 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.644 -12.101 -6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.272 -12.693 -9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.246 -14.451 -9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.610 -14.373 -5.845 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.870 -15.405 -7.255 1.00 0.00 H new ATOM 1648 N ARG A 104 2.946 -9.911 -5.627 1.00 0.00 N ATOM 1649 CA ARG A 104 4.398 -9.941 -5.583 1.00 0.00 C ATOM 1650 C ARG A 104 4.876 -10.620 -4.297 1.00 0.00 C ATOM 1651 O ARG A 104 5.825 -11.401 -4.320 1.00 0.00 O ATOM 1652 CB ARG A 104 4.981 -8.528 -5.653 1.00 0.00 C ATOM 1653 CG ARG A 104 4.719 -7.762 -4.354 1.00 0.00 C ATOM 1654 CD ARG A 104 5.192 -6.312 -4.468 1.00 0.00 C ATOM 1655 NE ARG A 104 6.670 -6.257 -4.424 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.389 -5.155 -4.677 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.770 -4.009 -4.994 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.727 -5.198 -4.613 1.00 0.00 N ATOM 0 H ARG A 104 2.534 -8.988 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 104 4.744 -10.507 -6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.054 -8.582 -5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.540 -7.990 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.654 -7.784 -4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.234 -8.253 -3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.831 -5.875 -5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.773 -5.719 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 104 7.173 -7.112 -4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.752 -3.976 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.317 -3.170 -5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.198 -6.070 -4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.274 -4.359 -4.806 1.00 0.00 H new ATOM 1672 N GLN A 105 4.196 -10.296 -3.207 1.00 0.00 N ATOM 1673 CA GLN A 105 4.539 -10.864 -1.915 1.00 0.00 C ATOM 1674 C GLN A 105 4.876 -12.349 -2.061 1.00 0.00 C ATOM 1675 O GLN A 105 5.716 -12.874 -1.332 1.00 0.00 O ATOM 1676 CB GLN A 105 3.408 -10.655 -0.906 1.00 0.00 C ATOM 1677 CG GLN A 105 3.669 -9.424 -0.036 1.00 0.00 C ATOM 1678 CD GLN A 105 3.644 -9.787 1.450 1.00 0.00 C ATOM 1679 OE1 GLN A 105 4.176 -10.798 1.877 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.997 -8.908 2.210 1.00 0.00 N ATOM 0 H GLN A 105 3.409 -9.647 -3.192 1.00 0.00 H new ATOM 0 HA GLN A 105 5.420 -10.347 -1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.462 -10.537 -1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.312 -11.538 -0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.636 -8.992 -0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.916 -8.663 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.574 -8.082 1.787 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.924 -9.060 3.216 1.00 0.00 H new