USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 35 CYS SG : rot -132:sc= 0.738 USER MOD Set 2.2: A 69 SER OG : rot -83:sc= 0.741 USER MOD Set 2.3: A 71 THR OG1 : rot 144:sc= 0.922 USER MOD Single : A 5 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00706 USER MOD Single : A 16 GLN : amide:sc= -2.44! X(o=-2.4!,f=-2.4) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00356) USER MOD Single : A 18 ASN : amide:sc= -0.0887 K(o=-0.089,f=-0.68) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.0234 X(o=0.023,f=0.013) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -89:sc= 0.557 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 149:sc= -2.98! (180deg=-5.42!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0.0044) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.696 USER MOD Single : A 58 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.098) USER MOD Single : A 80 MET CE :methyl -155:sc= -2.99! (180deg=-6.04!) USER MOD Single : A 81 MET CE :methyl 142:sc= -0.0795 (180deg=-1.65) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.273 -5.433 -17.556 1.00 0.00 N ATOM 47 CA ILE A 4 8.025 -6.040 -17.078 1.00 0.00 C ATOM 48 C ILE A 4 6.864 -5.045 -17.170 1.00 0.00 C ATOM 49 O ILE A 4 5.711 -5.447 -17.301 1.00 0.00 O ATOM 50 CB ILE A 4 8.164 -6.528 -15.626 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.454 -5.343 -14.693 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.308 -7.541 -15.535 1.00 0.00 C ATOM 53 CD1 ILE A 4 7.137 -4.742 -14.203 1.00 0.00 C ATOM 0 HA ILE A 4 7.815 -6.896 -17.719 1.00 0.00 H new ATOM 0 HB ILE A 4 7.230 -7.000 -15.320 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.053 -5.673 -13.844 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.037 -4.587 -15.219 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.407 -7.887 -14.506 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.095 -8.390 -16.184 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.238 -7.068 -15.850 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.345 -3.901 -13.541 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.555 -4.396 -15.057 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.571 -5.499 -13.661 1.00 0.00 H new ATOM 65 N TYR A 5 7.183 -3.745 -17.103 1.00 0.00 N ATOM 66 CA TYR A 5 6.155 -2.702 -17.188 1.00 0.00 C ATOM 67 C TYR A 5 5.539 -2.679 -18.584 1.00 0.00 C ATOM 68 O TYR A 5 4.351 -2.400 -18.749 1.00 0.00 O ATOM 69 CB TYR A 5 6.754 -1.322 -16.897 1.00 0.00 C ATOM 70 CG TYR A 5 7.450 -1.344 -15.559 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.700 -1.446 -14.382 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.846 -1.270 -15.498 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.349 -1.473 -13.144 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.492 -1.296 -14.261 1.00 0.00 C ATOM 75 CZ TYR A 5 8.746 -1.397 -13.083 1.00 0.00 C ATOM 76 OH TYR A 5 9.387 -1.424 -11.863 1.00 0.00 O ATOM 0 H TYR A 5 8.134 -3.394 -16.991 1.00 0.00 H new ATOM 0 HA TYR A 5 5.390 -2.930 -16.446 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.460 -1.048 -17.681 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.969 -0.566 -16.897 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.623 -1.504 -14.430 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.423 -1.193 -16.408 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.773 -1.553 -12.234 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.569 -1.238 -14.214 1.00 0.00 H new ATOM 0 HH TYR A 5 10.355 -1.363 -12.001 1.00 0.00 H new ATOM 86 N LYS A 6 6.368 -2.985 -19.584 1.00 0.00 N ATOM 87 CA LYS A 6 5.910 -3.009 -20.977 1.00 0.00 C ATOM 88 C LYS A 6 5.117 -4.283 -21.239 1.00 0.00 C ATOM 89 O LYS A 6 4.104 -4.270 -21.938 1.00 0.00 O ATOM 90 CB LYS A 6 7.097 -2.947 -21.949 1.00 0.00 C ATOM 91 CG LYS A 6 8.102 -1.880 -21.495 1.00 0.00 C ATOM 92 CD LYS A 6 7.362 -0.596 -21.108 1.00 0.00 C ATOM 93 CE LYS A 6 8.331 0.370 -20.424 1.00 0.00 C ATOM 94 NZ LYS A 6 7.885 1.775 -20.655 1.00 0.00 N ATOM 0 H LYS A 6 7.353 -3.218 -19.458 1.00 0.00 H new ATOM 0 HA LYS A 6 5.278 -2.136 -21.139 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.586 -3.920 -21.998 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.742 -2.718 -22.954 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.677 -2.248 -20.646 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.812 -1.673 -22.296 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.934 -0.130 -21.995 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.533 -0.830 -20.440 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.373 0.162 -19.355 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.338 0.229 -20.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.545 2.430 -20.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.867 1.970 -21.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.932 1.906 -20.261 1.00 0.00 H new ATOM 108 N ALA A 7 5.587 -5.380 -20.649 1.00 0.00 N ATOM 109 CA ALA A 7 4.915 -6.670 -20.797 1.00 0.00 C ATOM 110 C ALA A 7 3.626 -6.703 -19.966 1.00 0.00 C ATOM 111 O ALA A 7 2.683 -7.424 -20.294 1.00 0.00 O ATOM 112 CB ALA A 7 5.834 -7.805 -20.340 1.00 0.00 C ATOM 0 H ALA A 7 6.425 -5.403 -20.068 1.00 0.00 H new ATOM 0 HA ALA A 7 4.669 -6.803 -21.850 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.320 -8.759 -20.456 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.740 -7.805 -20.945 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.098 -7.660 -19.292 1.00 0.00 H new ATOM 118 N ALA A 8 3.600 -5.914 -18.881 1.00 0.00 N ATOM 119 CA ALA A 8 2.435 -5.860 -18.003 1.00 0.00 C ATOM 120 C ALA A 8 1.382 -4.879 -18.522 1.00 0.00 C ATOM 121 O ALA A 8 0.189 -5.076 -18.294 1.00 0.00 O ATOM 122 CB ALA A 8 2.854 -5.433 -16.595 1.00 0.00 C ATOM 0 H ALA A 8 4.371 -5.310 -18.597 1.00 0.00 H new ATOM 0 HA ALA A 8 2.001 -6.860 -17.980 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.976 -5.396 -15.950 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.569 -6.152 -16.195 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.315 -4.446 -16.636 1.00 0.00 H new ATOM 128 N VAL A 9 1.826 -3.818 -19.216 1.00 0.00 N ATOM 129 CA VAL A 9 0.892 -2.814 -19.747 1.00 0.00 C ATOM 130 C VAL A 9 -0.169 -3.456 -20.651 1.00 0.00 C ATOM 131 O VAL A 9 -1.312 -2.996 -20.702 1.00 0.00 O ATOM 132 CB VAL A 9 1.648 -1.717 -20.521 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.959 -2.181 -21.949 1.00 0.00 C ATOM 134 CG2 VAL A 9 0.787 -0.452 -20.580 1.00 0.00 C ATOM 0 H VAL A 9 2.809 -3.635 -19.420 1.00 0.00 H new ATOM 0 HA VAL A 9 0.385 -2.360 -18.895 1.00 0.00 H new ATOM 0 HB VAL A 9 2.586 -1.509 -20.005 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.493 -1.393 -22.480 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.577 -3.078 -21.914 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.028 -2.403 -22.470 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.320 0.326 -21.127 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.152 -0.674 -21.087 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.579 -0.106 -19.568 1.00 0.00 H new ATOM 144 N GLU A 10 0.216 -4.528 -21.353 1.00 0.00 N ATOM 145 CA GLU A 10 -0.715 -5.229 -22.242 1.00 0.00 C ATOM 146 C GLU A 10 -1.730 -6.048 -21.434 1.00 0.00 C ATOM 147 O GLU A 10 -2.825 -6.344 -21.918 1.00 0.00 O ATOM 148 CB GLU A 10 0.045 -6.171 -23.184 1.00 0.00 C ATOM 149 CG GLU A 10 0.926 -5.354 -24.136 1.00 0.00 C ATOM 150 CD GLU A 10 0.060 -4.715 -25.219 1.00 0.00 C ATOM 151 OE1 GLU A 10 -0.233 -5.389 -26.192 1.00 0.00 O ATOM 152 OE2 GLU A 10 -0.294 -3.558 -25.061 1.00 0.00 O ATOM 0 H GLU A 10 1.155 -4.925 -21.323 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.243 -4.475 -22.826 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.660 -6.860 -22.605 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.660 -6.776 -23.755 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.459 -4.582 -23.581 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.679 -5.997 -24.592 1.00 0.00 H new ATOM 159 N GLN A 11 -1.356 -6.407 -20.200 1.00 0.00 N ATOM 160 CA GLN A 11 -2.237 -7.190 -19.329 1.00 0.00 C ATOM 161 C GLN A 11 -3.197 -6.283 -18.558 1.00 0.00 C ATOM 162 O GLN A 11 -4.320 -6.683 -18.243 1.00 0.00 O ATOM 163 CB GLN A 11 -1.415 -8.007 -18.326 1.00 0.00 C ATOM 164 CG GLN A 11 -0.394 -8.869 -19.075 1.00 0.00 C ATOM 165 CD GLN A 11 0.187 -9.915 -18.130 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.218 -11.077 -18.154 1.00 0.00 O ATOM 167 NE2 GLN A 11 1.125 -9.572 -17.287 1.00 0.00 N ATOM 0 H GLN A 11 -0.455 -6.169 -19.785 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.813 -7.861 -19.966 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.903 -7.340 -17.632 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.074 -8.640 -17.732 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.870 -9.357 -19.925 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.403 -8.242 -19.473 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.463 -8.610 -17.264 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.519 -10.266 -16.652 1.00 0.00 H new ATOM 176 N LEU A 12 -2.744 -5.061 -18.253 1.00 0.00 N ATOM 177 CA LEU A 12 -3.572 -4.104 -17.513 1.00 0.00 C ATOM 178 C LEU A 12 -4.870 -3.828 -18.269 1.00 0.00 C ATOM 179 O LEU A 12 -4.853 -3.382 -19.419 1.00 0.00 O ATOM 180 CB LEU A 12 -2.833 -2.775 -17.294 1.00 0.00 C ATOM 181 CG LEU A 12 -1.358 -2.880 -16.876 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.868 -1.515 -16.385 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.200 -3.909 -15.751 1.00 0.00 C ATOM 0 H LEU A 12 -1.818 -4.715 -18.505 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.794 -4.549 -16.543 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.887 -2.197 -18.216 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.366 -2.208 -16.531 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.768 -3.197 -17.736 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.178 -1.589 -16.088 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.967 -0.783 -17.187 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.466 -1.200 -15.530 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.151 -3.975 -15.463 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.794 -3.601 -14.890 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.543 -4.884 -16.099 1.00 0.00 H new ATOM 195 N THR A 13 -5.996 -4.106 -17.608 1.00 0.00 N ATOM 196 CA THR A 13 -7.310 -3.894 -18.221 1.00 0.00 C ATOM 197 C THR A 13 -8.078 -2.794 -17.492 1.00 0.00 C ATOM 198 O THR A 13 -7.698 -2.364 -16.401 1.00 0.00 O ATOM 199 CB THR A 13 -8.145 -5.185 -18.177 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.736 -5.991 -17.080 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.959 -5.961 -19.480 1.00 0.00 C ATOM 0 H THR A 13 -6.026 -4.475 -16.657 1.00 0.00 H new ATOM 0 HA THR A 13 -7.143 -3.599 -19.257 1.00 0.00 H new ATOM 0 HB THR A 13 -9.197 -4.925 -18.056 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.273 -6.810 -17.058 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.551 -6.875 -19.447 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.286 -5.347 -20.319 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.906 -6.215 -19.605 1.00 0.00 H new ATOM 209 N ASP A 14 -9.181 -2.358 -18.105 1.00 0.00 N ATOM 210 CA ASP A 14 -10.023 -1.322 -17.508 1.00 0.00 C ATOM 211 C ASP A 14 -10.573 -1.798 -16.159 1.00 0.00 C ATOM 212 O ASP A 14 -10.803 -0.995 -15.256 1.00 0.00 O ATOM 213 CB ASP A 14 -11.197 -0.985 -18.433 1.00 0.00 C ATOM 214 CG ASP A 14 -11.762 0.390 -18.079 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.037 1.363 -18.209 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.916 0.449 -17.687 1.00 0.00 O ATOM 0 H ASP A 14 -9.509 -2.704 -19.007 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.411 -0.432 -17.361 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.867 -0.995 -19.472 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.975 -1.743 -18.338 1.00 0.00 H new ATOM 221 N GLU A 15 -10.777 -3.118 -16.042 1.00 0.00 N ATOM 222 CA GLU A 15 -11.297 -3.713 -14.806 1.00 0.00 C ATOM 223 C GLU A 15 -10.317 -3.527 -13.646 1.00 0.00 C ATOM 224 O GLU A 15 -10.713 -3.121 -12.552 1.00 0.00 O ATOM 225 CB GLU A 15 -11.558 -5.209 -14.999 1.00 0.00 C ATOM 226 CG GLU A 15 -12.891 -5.409 -15.724 1.00 0.00 C ATOM 227 CD GLU A 15 -13.079 -6.888 -16.051 1.00 0.00 C ATOM 228 OE1 GLU A 15 -13.636 -7.592 -15.224 1.00 0.00 O ATOM 229 OE2 GLU A 15 -12.664 -7.295 -17.124 1.00 0.00 O ATOM 0 H GLU A 15 -10.590 -3.790 -16.786 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.231 -3.203 -14.568 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.749 -5.658 -15.575 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.579 -5.712 -14.032 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.712 -5.057 -15.100 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.911 -4.818 -16.640 1.00 0.00 H new ATOM 236 N GLN A 16 -9.033 -3.827 -13.890 1.00 0.00 N ATOM 237 CA GLN A 16 -8.013 -3.686 -12.844 1.00 0.00 C ATOM 238 C GLN A 16 -7.876 -2.220 -12.418 1.00 0.00 C ATOM 239 O GLN A 16 -7.658 -1.927 -11.242 1.00 0.00 O ATOM 240 CB GLN A 16 -6.655 -4.247 -13.314 1.00 0.00 C ATOM 241 CG GLN A 16 -5.836 -3.186 -14.066 1.00 0.00 C ATOM 242 CD GLN A 16 -4.350 -3.522 -13.964 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.950 -4.667 -14.184 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.500 -2.585 -13.640 1.00 0.00 N ATOM 0 H GLN A 16 -8.681 -4.163 -14.787 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.334 -4.267 -11.979 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.089 -4.602 -12.453 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.821 -5.107 -13.963 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.141 -3.150 -15.112 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.026 -2.199 -13.645 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.830 -1.637 -13.458 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.506 -2.801 -13.569 1.00 0.00 H new ATOM 253 N LYS A 17 -8.029 -1.305 -13.384 1.00 0.00 N ATOM 254 CA LYS A 17 -7.943 0.126 -13.089 1.00 0.00 C ATOM 255 C LYS A 17 -9.245 0.614 -12.448 1.00 0.00 C ATOM 256 O LYS A 17 -9.248 1.596 -11.708 1.00 0.00 O ATOM 257 CB LYS A 17 -7.670 0.932 -14.360 1.00 0.00 C ATOM 258 CG LYS A 17 -6.160 1.159 -14.504 1.00 0.00 C ATOM 259 CD LYS A 17 -5.583 0.164 -15.516 1.00 0.00 C ATOM 260 CE LYS A 17 -5.406 0.851 -16.873 1.00 0.00 C ATOM 261 NZ LYS A 17 -6.730 0.982 -17.550 1.00 0.00 N ATOM 0 H LYS A 17 -8.210 -1.528 -14.363 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.116 0.275 -12.394 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.054 0.400 -15.231 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.190 1.889 -14.316 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.966 2.180 -14.832 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.670 1.036 -13.538 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.624 -0.215 -15.162 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.248 -0.694 -15.616 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.958 1.835 -16.737 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.724 0.274 -17.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.600 1.418 -18.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.157 0.040 -17.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.357 1.579 -16.974 1.00 0.00 H new ATOM 275 N ASN A 18 -10.348 -0.094 -12.729 1.00 0.00 N ATOM 276 CA ASN A 18 -11.650 0.259 -12.159 1.00 0.00 C ATOM 277 C ASN A 18 -11.624 0.039 -10.647 1.00 0.00 C ATOM 278 O ASN A 18 -12.083 0.883 -9.875 1.00 0.00 O ATOM 279 CB ASN A 18 -12.761 -0.608 -12.769 1.00 0.00 C ATOM 280 CG ASN A 18 -13.460 0.151 -13.894 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.784 1.329 -13.752 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.715 -0.465 -15.015 1.00 0.00 N ATOM 0 H ASN A 18 -10.362 -0.908 -13.343 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.851 1.307 -12.383 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.339 -1.536 -13.154 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.484 -0.881 -12.000 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.183 0.030 -15.774 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.446 -1.442 -15.133 1.00 0.00 H new ATOM 289 N GLU A 19 -11.060 -1.105 -10.240 1.00 0.00 N ATOM 290 CA GLU A 19 -10.947 -1.441 -8.819 1.00 0.00 C ATOM 291 C GLU A 19 -9.889 -0.558 -8.163 1.00 0.00 C ATOM 292 O GLU A 19 -10.061 -0.097 -7.036 1.00 0.00 O ATOM 293 CB GLU A 19 -10.540 -2.909 -8.630 1.00 0.00 C ATOM 294 CG GLU A 19 -11.498 -3.821 -9.402 1.00 0.00 C ATOM 295 CD GLU A 19 -10.837 -5.177 -9.631 1.00 0.00 C ATOM 296 OE1 GLU A 19 -10.152 -5.320 -10.630 1.00 0.00 O ATOM 297 OE2 GLU A 19 -11.024 -6.053 -8.804 1.00 0.00 O ATOM 0 H GLU A 19 -10.677 -1.808 -10.872 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.921 -1.277 -8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.519 -3.060 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.555 -3.166 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.426 -3.947 -8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.759 -3.366 -10.357 1.00 0.00 H new ATOM 304 N PHE A 20 -8.790 -0.336 -8.891 1.00 0.00 N ATOM 305 CA PHE A 20 -7.689 0.491 -8.390 1.00 0.00 C ATOM 306 C PHE A 20 -8.126 1.945 -8.210 1.00 0.00 C ATOM 307 O PHE A 20 -7.787 2.582 -7.212 1.00 0.00 O ATOM 308 CB PHE A 20 -6.502 0.444 -9.363 1.00 0.00 C ATOM 309 CG PHE A 20 -5.599 -0.726 -9.033 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.099 -1.843 -8.348 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.254 -0.687 -9.415 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.255 -2.914 -8.048 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.410 -1.759 -9.115 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.911 -2.874 -8.430 1.00 0.00 C ATOM 0 H PHE A 20 -8.640 -0.716 -9.826 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.391 0.089 -7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.865 0.354 -10.387 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.938 1.375 -9.305 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.137 -1.875 -8.052 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.868 0.173 -9.942 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.641 -3.774 -7.520 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.372 -1.728 -9.411 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.259 -3.703 -8.197 1.00 0.00 H new ATOM 324 N LYS A 21 -8.881 2.461 -9.185 1.00 0.00 N ATOM 325 CA LYS A 21 -9.360 3.843 -9.123 1.00 0.00 C ATOM 326 C LYS A 21 -10.349 4.017 -7.974 1.00 0.00 C ATOM 327 O LYS A 21 -10.280 4.994 -7.231 1.00 0.00 O ATOM 328 CB LYS A 21 -10.037 4.244 -10.441 1.00 0.00 C ATOM 329 CG LYS A 21 -10.384 5.738 -10.416 1.00 0.00 C ATOM 330 CD LYS A 21 -9.111 6.562 -10.200 1.00 0.00 C ATOM 331 CE LYS A 21 -9.380 8.025 -10.560 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.152 8.627 -11.154 1.00 0.00 N ATOM 0 H LYS A 21 -9.171 1.948 -10.018 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.497 4.487 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.375 4.029 -11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.941 3.654 -10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.860 6.026 -11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.100 5.941 -9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.788 6.486 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.302 6.168 -10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.208 8.090 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.676 8.581 -9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.336 9.621 -11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.374 8.578 -10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.889 8.103 -12.013 1.00 0.00 H new ATOM 346 N ALA A 22 -11.265 3.054 -7.830 1.00 0.00 N ATOM 347 CA ALA A 22 -12.257 3.112 -6.756 1.00 0.00 C ATOM 348 C ALA A 22 -11.573 2.946 -5.399 1.00 0.00 C ATOM 349 O ALA A 22 -11.845 3.695 -4.462 1.00 0.00 O ATOM 350 CB ALA A 22 -13.309 2.015 -6.928 1.00 0.00 C ATOM 0 H ALA A 22 -11.339 2.236 -8.435 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.748 4.084 -6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.036 2.078 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.818 2.145 -7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.824 1.039 -6.905 1.00 0.00 H new ATOM 356 N ALA A 23 -10.667 1.963 -5.315 1.00 0.00 N ATOM 357 CA ALA A 23 -9.926 1.706 -4.076 1.00 0.00 C ATOM 358 C ALA A 23 -9.060 2.913 -3.696 1.00 0.00 C ATOM 359 O ALA A 23 -8.744 3.117 -2.523 1.00 0.00 O ATOM 360 CB ALA A 23 -9.023 0.479 -4.234 1.00 0.00 C ATOM 0 H ALA A 23 -10.431 1.337 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.657 1.524 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.481 0.304 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.633 -0.394 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.312 0.652 -5.042 1.00 0.00 H new ATOM 366 N PHE A 24 -8.685 3.713 -4.701 1.00 0.00 N ATOM 367 CA PHE A 24 -7.866 4.899 -4.465 1.00 0.00 C ATOM 368 C PHE A 24 -8.754 6.084 -4.081 1.00 0.00 C ATOM 369 O PHE A 24 -8.549 6.715 -3.046 1.00 0.00 O ATOM 370 CB PHE A 24 -7.072 5.256 -5.732 1.00 0.00 C ATOM 371 CG PHE A 24 -5.839 6.053 -5.370 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.647 5.390 -5.049 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.885 7.453 -5.358 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.505 6.126 -4.717 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.740 8.188 -5.025 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.551 7.526 -4.705 1.00 0.00 C ATOM 0 H PHE A 24 -8.935 3.559 -5.678 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.174 4.683 -3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.784 4.346 -6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.699 5.832 -6.412 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.610 4.311 -5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.803 7.965 -5.605 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.587 5.614 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.776 9.267 -5.015 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.669 8.094 -4.449 1.00 0.00 H new ATOM 386 N ASP A 25 -9.736 6.375 -4.941 1.00 0.00 N ATOM 387 CA ASP A 25 -10.660 7.497 -4.722 1.00 0.00 C ATOM 388 C ASP A 25 -11.342 7.441 -3.349 1.00 0.00 C ATOM 389 O ASP A 25 -11.527 8.479 -2.712 1.00 0.00 O ATOM 390 CB ASP A 25 -11.738 7.517 -5.812 1.00 0.00 C ATOM 391 CG ASP A 25 -12.428 8.878 -5.828 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.923 9.770 -6.490 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.451 9.010 -5.179 1.00 0.00 O ATOM 0 H ASP A 25 -9.913 5.849 -5.797 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.060 8.406 -4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.289 7.315 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.469 6.730 -5.628 1.00 0.00 H new ATOM 398 N ILE A 26 -11.724 6.237 -2.899 1.00 0.00 N ATOM 399 CA ILE A 26 -12.391 6.100 -1.593 1.00 0.00 C ATOM 400 C ILE A 26 -11.537 6.719 -0.480 1.00 0.00 C ATOM 401 O ILE A 26 -12.062 7.329 0.453 1.00 0.00 O ATOM 402 CB ILE A 26 -12.670 4.625 -1.260 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.372 3.813 -1.356 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.707 4.068 -2.242 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.646 2.348 -1.011 1.00 0.00 C ATOM 0 H ILE A 26 -11.588 5.362 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.341 6.631 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.058 4.551 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.960 3.887 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.626 4.222 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.906 3.022 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.631 4.640 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.323 4.145 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.719 1.778 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.037 2.280 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.377 1.940 -1.709 1.00 0.00 H new ATOM 417 N PHE A 27 -10.215 6.563 -0.601 1.00 0.00 N ATOM 418 CA PHE A 27 -9.288 7.118 0.387 1.00 0.00 C ATOM 419 C PHE A 27 -8.967 8.585 0.070 1.00 0.00 C ATOM 420 O PHE A 27 -8.689 9.375 0.975 1.00 0.00 O ATOM 421 CB PHE A 27 -7.983 6.312 0.409 1.00 0.00 C ATOM 422 CG PHE A 27 -8.153 5.090 1.285 1.00 0.00 C ATOM 423 CD1 PHE A 27 -7.906 5.173 2.661 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.561 3.876 0.720 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.066 4.041 3.469 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.721 2.745 1.529 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.474 2.828 2.904 1.00 0.00 C ATOM 0 H PHE A 27 -9.767 6.061 -1.367 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.769 7.060 1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.713 6.011 -0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.168 6.931 0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.592 6.109 3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.752 3.812 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.874 4.104 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.035 1.809 1.092 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.598 1.956 3.529 1.00 0.00 H new ATOM 437 N ILE A 28 -9.006 8.939 -1.224 1.00 0.00 N ATOM 438 CA ILE A 28 -8.715 10.316 -1.651 1.00 0.00 C ATOM 439 C ILE A 28 -10.003 11.144 -1.767 1.00 0.00 C ATOM 440 O ILE A 28 -10.064 12.118 -2.523 1.00 0.00 O ATOM 441 CB ILE A 28 -7.988 10.322 -3.011 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.878 9.264 -3.034 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.357 11.693 -3.269 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.164 9.205 -1.678 1.00 0.00 C ATOM 0 H ILE A 28 -9.233 8.299 -1.985 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.072 10.763 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.723 10.099 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.302 8.288 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.160 9.499 -3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.847 11.683 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.135 12.456 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.639 11.917 -2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.380 8.449 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.722 10.177 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.882 8.947 -0.900 1.00 0.00 H new ATOM 456 N GLN A 29 -11.030 10.763 -1.000 1.00 0.00 N ATOM 457 CA GLN A 29 -12.299 11.496 -1.024 1.00 0.00 C ATOM 458 C GLN A 29 -12.105 12.903 -0.453 1.00 0.00 C ATOM 459 O GLN A 29 -12.701 13.868 -0.933 1.00 0.00 O ATOM 460 CB GLN A 29 -13.386 10.759 -0.223 1.00 0.00 C ATOM 461 CG GLN A 29 -12.948 10.579 1.236 1.00 0.00 C ATOM 462 CD GLN A 29 -14.100 9.989 2.044 1.00 0.00 C ATOM 463 OE1 GLN A 29 -15.104 10.661 2.286 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.016 8.762 2.483 1.00 0.00 N ATOM 0 H GLN A 29 -11.009 9.965 -0.365 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.625 11.565 -2.062 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.319 11.321 -0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.581 9.786 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.080 9.922 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.648 11.538 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.185 8.205 2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.781 8.361 3.026 1.00 0.00 H new ATOM 473 N ASP A 30 -11.249 13.005 0.571 1.00 0.00 N ATOM 474 CA ASP A 30 -10.959 14.291 1.204 1.00 0.00 C ATOM 475 C ASP A 30 -9.491 14.344 1.647 1.00 0.00 C ATOM 476 O ASP A 30 -9.170 14.856 2.723 1.00 0.00 O ATOM 477 CB ASP A 30 -11.871 14.509 2.421 1.00 0.00 C ATOM 478 CG ASP A 30 -13.323 14.631 1.964 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.683 15.688 1.469 1.00 0.00 O ATOM 480 OD2 ASP A 30 -14.054 13.666 2.116 1.00 0.00 O ATOM 0 H ASP A 30 -10.748 12.214 0.976 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.144 15.081 0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.768 13.677 3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.571 15.411 2.955 1.00 0.00 H new ATOM 485 N ALA A 31 -8.600 13.808 0.799 1.00 0.00 N ATOM 486 CA ALA A 31 -7.168 13.797 1.105 1.00 0.00 C ATOM 487 C ALA A 31 -6.605 15.217 1.099 1.00 0.00 C ATOM 488 O ALA A 31 -7.187 16.133 0.513 1.00 0.00 O ATOM 489 CB ALA A 31 -6.409 12.953 0.077 1.00 0.00 C ATOM 0 H ALA A 31 -8.846 13.381 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.040 13.364 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.346 12.955 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.784 11.930 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.556 13.373 -0.918 1.00 0.00 H new ATOM 495 N GLU A 32 -5.463 15.387 1.765 1.00 0.00 N ATOM 496 CA GLU A 32 -4.816 16.700 1.845 1.00 0.00 C ATOM 497 C GLU A 32 -4.098 17.032 0.537 1.00 0.00 C ATOM 498 O GLU A 32 -4.248 18.129 -0.003 1.00 0.00 O ATOM 499 CB GLU A 32 -3.799 16.738 2.992 1.00 0.00 C ATOM 500 CG GLU A 32 -4.495 16.410 4.318 1.00 0.00 C ATOM 501 CD GLU A 32 -4.061 15.026 4.796 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.043 14.942 5.463 1.00 0.00 O ATOM 503 OE2 GLU A 32 -4.751 14.071 4.489 1.00 0.00 O ATOM 0 H GLU A 32 -4.969 14.640 2.254 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.597 17.438 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.999 16.022 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.337 17.724 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.243 17.160 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.577 16.439 4.189 1.00 0.00 H new ATOM 510 N ASP A 33 -3.313 16.074 0.043 1.00 0.00 N ATOM 511 CA ASP A 33 -2.563 16.267 -1.199 1.00 0.00 C ATOM 512 C ASP A 33 -3.214 15.510 -2.360 1.00 0.00 C ATOM 513 O ASP A 33 -3.211 15.982 -3.499 1.00 0.00 O ATOM 514 CB ASP A 33 -1.120 15.781 -1.032 1.00 0.00 C ATOM 515 CG ASP A 33 -0.362 16.735 -0.111 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.456 16.565 1.095 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.301 17.622 -0.624 1.00 0.00 O ATOM 0 H ASP A 33 -3.180 15.162 0.480 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.568 17.333 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.111 14.774 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.628 15.729 -2.003 1.00 0.00 H new ATOM 522 N GLY A 34 -3.770 14.331 -2.060 1.00 0.00 N ATOM 523 CA GLY A 34 -4.421 13.512 -3.085 1.00 0.00 C ATOM 524 C GLY A 34 -3.737 12.149 -3.216 1.00 0.00 C ATOM 525 O GLY A 34 -3.474 11.678 -4.325 1.00 0.00 O ATOM 0 H GLY A 34 -3.782 13.926 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.472 13.372 -2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.391 14.031 -4.043 1.00 0.00 H new ATOM 529 N CYS A 35 -3.456 11.526 -2.069 1.00 0.00 N ATOM 530 CA CYS A 35 -2.803 10.213 -2.050 1.00 0.00 C ATOM 531 C CYS A 35 -3.118 9.483 -0.745 1.00 0.00 C ATOM 532 O CYS A 35 -3.690 10.062 0.182 1.00 0.00 O ATOM 533 CB CYS A 35 -1.278 10.349 -2.190 1.00 0.00 C ATOM 534 SG CYS A 35 -0.743 12.008 -1.693 1.00 0.00 S ATOM 0 H CYS A 35 -3.668 11.906 -1.146 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.187 9.642 -2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.782 9.600 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.983 10.159 -3.222 1.00 0.00 H new ATOM 0 HG CYS A 35 0.063 12.491 -2.591 1.00 0.00 H new ATOM 540 N ILE A 36 -2.735 8.206 -0.679 1.00 0.00 N ATOM 541 CA ILE A 36 -2.983 7.409 0.524 1.00 0.00 C ATOM 542 C ILE A 36 -1.695 7.262 1.333 1.00 0.00 C ATOM 543 O ILE A 36 -0.627 7.700 0.907 1.00 0.00 O ATOM 544 CB ILE A 36 -3.525 6.015 0.166 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.523 5.269 -0.722 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.857 6.153 -0.579 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.836 4.167 0.091 1.00 0.00 C ATOM 0 H ILE A 36 -2.259 7.708 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.732 7.930 1.120 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.676 5.451 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.035 4.835 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.780 5.964 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.237 5.163 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.578 6.668 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.705 6.726 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.124 3.638 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.310 4.612 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.585 3.466 0.459 1.00 0.00 H new ATOM 559 N SER A 37 -1.806 6.639 2.505 1.00 0.00 N ATOM 560 CA SER A 37 -0.642 6.438 3.360 1.00 0.00 C ATOM 561 C SER A 37 -0.014 5.077 3.082 1.00 0.00 C ATOM 562 O SER A 37 -0.715 4.078 2.907 1.00 0.00 O ATOM 563 CB SER A 37 -1.033 6.514 4.838 1.00 0.00 C ATOM 564 OG SER A 37 0.135 6.716 5.624 1.00 0.00 O ATOM 0 H SER A 37 -2.680 6.269 2.879 1.00 0.00 H new ATOM 0 HA SER A 37 0.076 7.228 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.738 7.330 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.535 5.595 5.141 1.00 0.00 H new ATOM 0 HG SER A 37 -0.113 6.767 6.571 1.00 0.00 H new ATOM 570 N THR A 38 1.318 5.051 3.051 1.00 0.00 N ATOM 571 CA THR A 38 2.049 3.805 2.804 1.00 0.00 C ATOM 572 C THR A 38 1.667 2.753 3.848 1.00 0.00 C ATOM 573 O THR A 38 1.541 1.569 3.536 1.00 0.00 O ATOM 574 CB THR A 38 3.562 4.043 2.851 1.00 0.00 C ATOM 575 OG1 THR A 38 3.886 4.844 3.982 1.00 0.00 O ATOM 576 CG2 THR A 38 4.003 4.759 1.571 1.00 0.00 C ATOM 0 H THR A 38 1.910 5.870 3.192 1.00 0.00 H new ATOM 0 HA THR A 38 1.780 3.446 1.811 1.00 0.00 H new ATOM 0 HB THR A 38 4.078 3.086 2.930 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.838 5.792 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.079 4.930 1.602 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.758 4.142 0.706 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.486 5.715 1.493 1.00 0.00 H new ATOM 584 N LYS A 39 1.467 3.209 5.090 1.00 0.00 N ATOM 585 CA LYS A 39 1.077 2.318 6.182 1.00 0.00 C ATOM 586 C LYS A 39 -0.305 1.711 5.925 1.00 0.00 C ATOM 587 O LYS A 39 -0.581 0.574 6.310 1.00 0.00 O ATOM 588 CB LYS A 39 1.038 3.090 7.505 1.00 0.00 C ATOM 589 CG LYS A 39 2.341 2.853 8.261 1.00 0.00 C ATOM 590 CD LYS A 39 2.422 1.379 8.658 1.00 0.00 C ATOM 591 CE LYS A 39 3.874 0.901 8.577 1.00 0.00 C ATOM 592 NZ LYS A 39 4.175 0.014 9.739 1.00 0.00 N ATOM 0 H LYS A 39 1.569 4.187 5.361 1.00 0.00 H new ATOM 0 HA LYS A 39 1.815 1.518 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.902 4.155 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.190 2.763 8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.193 3.123 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.383 3.485 9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.041 1.244 9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.795 0.780 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.039 0.363 7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.549 1.756 8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.162 -0.310 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.034 0.542 10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.539 -0.809 9.721 1.00 0.00 H new ATOM 606 N GLU A 40 -1.165 2.494 5.270 1.00 0.00 N ATOM 607 CA GLU A 40 -2.528 2.053 4.951 1.00 0.00 C ATOM 608 C GLU A 40 -2.563 1.129 3.721 1.00 0.00 C ATOM 609 O GLU A 40 -3.631 0.647 3.339 1.00 0.00 O ATOM 610 CB GLU A 40 -3.427 3.265 4.682 1.00 0.00 C ATOM 611 CG GLU A 40 -3.779 3.951 6.005 1.00 0.00 C ATOM 612 CD GLU A 40 -4.684 5.149 5.734 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.161 6.224 5.496 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.892 4.972 5.768 1.00 0.00 O ATOM 0 H GLU A 40 -0.943 3.437 4.949 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.892 1.494 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.919 3.967 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.337 2.949 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.280 3.247 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.870 4.276 6.511 1.00 0.00 H new ATOM 621 N LEU A 41 -1.395 0.880 3.107 1.00 0.00 N ATOM 622 CA LEU A 41 -1.319 0.006 1.931 1.00 0.00 C ATOM 623 C LEU A 41 -1.892 -1.382 2.242 1.00 0.00 C ATOM 624 O LEU A 41 -2.595 -1.970 1.423 1.00 0.00 O ATOM 625 CB LEU A 41 0.138 -0.138 1.470 1.00 0.00 C ATOM 626 CG LEU A 41 0.350 -0.787 0.095 1.00 0.00 C ATOM 627 CD1 LEU A 41 0.287 -2.312 0.224 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.731 -0.312 -0.883 1.00 0.00 C ATOM 0 H LEU A 41 -0.500 1.269 3.404 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.910 0.461 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.593 0.852 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.677 -0.725 2.213 1.00 0.00 H new ATOM 0 HG LEU A 41 1.330 -0.496 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.438 -2.767 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.066 -2.652 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.688 -2.604 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.572 -0.778 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.714 -0.592 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.677 0.772 -0.987 1.00 0.00 H new ATOM 640 N GLY A 42 -1.588 -1.898 3.437 1.00 0.00 N ATOM 641 CA GLY A 42 -2.087 -3.216 3.845 1.00 0.00 C ATOM 642 C GLY A 42 -3.615 -3.227 3.989 1.00 0.00 C ATOM 643 O GLY A 42 -4.238 -4.291 3.970 1.00 0.00 O ATOM 0 H GLY A 42 -1.006 -1.430 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.786 -3.962 3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.630 -3.500 4.793 1.00 0.00 H new ATOM 647 N LYS A 43 -4.211 -2.037 4.141 1.00 0.00 N ATOM 648 CA LYS A 43 -5.661 -1.922 4.296 1.00 0.00 C ATOM 649 C LYS A 43 -6.366 -1.919 2.935 1.00 0.00 C ATOM 650 O LYS A 43 -7.427 -2.528 2.780 1.00 0.00 O ATOM 651 CB LYS A 43 -6.008 -0.632 5.046 1.00 0.00 C ATOM 652 CG LYS A 43 -7.443 -0.705 5.573 1.00 0.00 C ATOM 653 CD LYS A 43 -7.486 -1.555 6.846 1.00 0.00 C ATOM 654 CE LYS A 43 -8.864 -2.208 6.979 1.00 0.00 C ATOM 655 NZ LYS A 43 -9.042 -2.728 8.365 1.00 0.00 N ATOM 0 H LYS A 43 -3.712 -1.147 4.159 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.005 -2.786 4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.314 -0.485 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.898 0.226 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.815 0.298 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.097 -1.136 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.711 -2.321 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.281 -0.934 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.645 -1.483 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.963 -3.021 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.979 -3.171 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.305 -3.433 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.966 -1.943 9.043 1.00 0.00 H new ATOM 669 N VAL A 44 -5.772 -1.232 1.953 1.00 0.00 N ATOM 670 CA VAL A 44 -6.366 -1.166 0.612 1.00 0.00 C ATOM 671 C VAL A 44 -6.339 -2.543 -0.057 1.00 0.00 C ATOM 672 O VAL A 44 -7.250 -2.889 -0.813 1.00 0.00 O ATOM 673 CB VAL A 44 -5.644 -0.142 -0.281 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.914 1.271 0.239 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.134 -0.396 -0.277 1.00 0.00 C ATOM 0 H VAL A 44 -4.895 -0.722 2.057 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.400 -0.843 0.733 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.020 -0.244 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.402 1.996 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.986 1.467 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.546 1.359 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.640 0.338 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.753 -0.308 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.933 -1.398 -0.655 1.00 0.00 H new ATOM 685 N MET A 45 -5.299 -3.333 0.245 1.00 0.00 N ATOM 686 CA MET A 45 -5.182 -4.682 -0.318 1.00 0.00 C ATOM 687 C MET A 45 -6.357 -5.542 0.141 1.00 0.00 C ATOM 688 O MET A 45 -6.868 -6.364 -0.618 1.00 0.00 O ATOM 689 CB MET A 45 -3.876 -5.364 0.122 1.00 0.00 C ATOM 690 CG MET A 45 -2.673 -4.455 -0.161 1.00 0.00 C ATOM 691 SD MET A 45 -1.946 -4.891 -1.759 1.00 0.00 S ATOM 692 CE MET A 45 -3.325 -4.322 -2.779 1.00 0.00 C ATOM 0 H MET A 45 -4.537 -3.065 0.868 1.00 0.00 H new ATOM 0 HA MET A 45 -5.182 -4.585 -1.404 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.921 -5.597 1.186 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.757 -6.310 -0.406 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.986 -3.411 -0.165 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.930 -4.562 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.947 -3.974 -3.740 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.022 -5.144 -2.940 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.839 -3.504 -2.273 1.00 0.00 H new ATOM 702 N ARG A 46 -6.784 -5.330 1.389 1.00 0.00 N ATOM 703 CA ARG A 46 -7.913 -6.080 1.949 1.00 0.00 C ATOM 704 C ARG A 46 -9.199 -5.757 1.189 1.00 0.00 C ATOM 705 O ARG A 46 -10.031 -6.635 0.955 1.00 0.00 O ATOM 706 CB ARG A 46 -8.110 -5.736 3.430 1.00 0.00 C ATOM 707 CG ARG A 46 -7.073 -6.481 4.274 1.00 0.00 C ATOM 708 CD ARG A 46 -7.338 -6.221 5.758 1.00 0.00 C ATOM 709 NE ARG A 46 -6.553 -7.133 6.593 1.00 0.00 N ATOM 710 CZ ARG A 46 -6.827 -7.314 7.893 1.00 0.00 C ATOM 711 NH1 ARG A 46 -7.809 -6.660 8.470 1.00 0.00 N ATOM 712 NH2 ARG A 46 -6.106 -8.150 8.596 1.00 0.00 N ATOM 0 H ARG A 46 -6.369 -4.651 2.027 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.689 -7.142 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.011 -4.661 3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.116 -6.011 3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.121 -7.550 4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.069 -6.150 4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.086 -5.189 6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.399 -6.348 5.971 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.776 -7.645 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.373 -6.005 7.928 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.007 -6.807 9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.341 -8.660 8.155 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.310 -8.292 9.585 1.00 0.00 H new ATOM 726 N MET A 47 -9.345 -4.485 0.802 1.00 0.00 N ATOM 727 CA MET A 47 -10.528 -4.043 0.059 1.00 0.00 C ATOM 728 C MET A 47 -10.509 -4.591 -1.372 1.00 0.00 C ATOM 729 O MET A 47 -11.555 -4.934 -1.926 1.00 0.00 O ATOM 730 CB MET A 47 -10.587 -2.511 0.004 1.00 0.00 C ATOM 731 CG MET A 47 -10.954 -1.959 1.384 1.00 0.00 C ATOM 732 SD MET A 47 -12.750 -2.026 1.604 1.00 0.00 S ATOM 733 CE MET A 47 -12.902 -0.574 2.674 1.00 0.00 C ATOM 0 H MET A 47 -8.664 -3.749 0.990 1.00 0.00 H new ATOM 0 HA MET A 47 -11.407 -4.425 0.579 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.624 -2.112 -0.314 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.323 -2.192 -0.734 1.00 0.00 H new ATOM 0 HG2 MET A 47 -10.460 -2.540 2.163 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.603 -0.932 1.481 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.949 -0.425 2.938 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.317 -0.728 3.581 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.531 0.306 2.148 1.00 0.00 H new ATOM 743 N LEU A 48 -9.309 -4.667 -1.961 1.00 0.00 N ATOM 744 CA LEU A 48 -9.165 -5.173 -3.329 1.00 0.00 C ATOM 745 C LEU A 48 -9.366 -6.691 -3.367 1.00 0.00 C ATOM 746 O LEU A 48 -10.262 -7.190 -4.049 1.00 0.00 O ATOM 747 CB LEU A 48 -7.779 -4.833 -3.886 1.00 0.00 C ATOM 748 CG LEU A 48 -7.668 -3.462 -4.565 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.197 -3.045 -4.638 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.246 -3.543 -5.981 1.00 0.00 C ATOM 0 H LEU A 48 -8.434 -4.388 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.927 -4.695 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.056 -4.877 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.495 -5.601 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.226 -2.726 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.119 -2.071 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.785 -2.985 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.638 -3.782 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.167 -2.568 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.689 -4.280 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.294 -3.838 -5.930 1.00 0.00 H new ATOM 762 N GLY A 49 -8.524 -7.414 -2.624 1.00 0.00 N ATOM 763 CA GLY A 49 -8.615 -8.876 -2.573 1.00 0.00 C ATOM 764 C GLY A 49 -7.266 -9.499 -2.212 1.00 0.00 C ATOM 765 O GLY A 49 -6.749 -10.349 -2.940 1.00 0.00 O ATOM 0 H GLY A 49 -7.778 -7.016 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.364 -9.171 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.948 -9.257 -3.538 1.00 0.00 H new ATOM 769 N GLN A 50 -6.706 -9.062 -1.081 1.00 0.00 N ATOM 770 CA GLN A 50 -5.412 -9.572 -0.616 1.00 0.00 C ATOM 771 C GLN A 50 -5.288 -9.409 0.899 1.00 0.00 C ATOM 772 O GLN A 50 -5.893 -8.512 1.490 1.00 0.00 O ATOM 773 CB GLN A 50 -4.261 -8.816 -1.289 1.00 0.00 C ATOM 774 CG GLN A 50 -3.799 -9.583 -2.530 1.00 0.00 C ATOM 775 CD GLN A 50 -2.461 -9.025 -3.006 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.399 -7.918 -3.543 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.374 -9.731 -2.842 1.00 0.00 N ATOM 0 H GLN A 50 -7.126 -8.359 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.356 -10.629 -0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.585 -7.814 -1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.432 -8.700 -0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.701 -10.644 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.543 -9.497 -3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.424 -10.648 -2.398 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.476 -9.365 -3.158 1.00 0.00 H new ATOM 786 N ASN A 51 -4.495 -10.285 1.520 1.00 0.00 N ATOM 787 CA ASN A 51 -4.298 -10.225 2.970 1.00 0.00 C ATOM 788 C ASN A 51 -2.838 -10.524 3.336 1.00 0.00 C ATOM 789 O ASN A 51 -2.522 -11.587 3.877 1.00 0.00 O ATOM 790 CB ASN A 51 -5.222 -11.228 3.675 1.00 0.00 C ATOM 791 CG ASN A 51 -5.508 -10.750 5.097 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.718 -10.992 6.009 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.601 -10.078 5.342 1.00 0.00 N ATOM 0 H ASN A 51 -3.986 -11.034 1.050 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.542 -9.216 3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.155 -11.330 3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.756 -12.213 3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.799 -9.754 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.256 -9.877 4.587 1.00 0.00 H new ATOM 800 N PRO A 52 -1.934 -9.577 3.049 1.00 0.00 N ATOM 801 CA PRO A 52 -0.498 -9.731 3.358 1.00 0.00 C ATOM 802 C PRO A 52 -0.170 -9.356 4.805 1.00 0.00 C ATOM 803 O PRO A 52 -1.064 -9.175 5.635 1.00 0.00 O ATOM 804 CB PRO A 52 0.146 -8.740 2.394 1.00 0.00 C ATOM 805 CG PRO A 52 -0.909 -7.695 2.058 1.00 0.00 C ATOM 806 CD PRO A 52 -2.279 -8.296 2.397 1.00 0.00 C ATOM 0 HA PRO A 52 -0.152 -10.759 3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.020 -8.273 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.488 -9.247 1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.739 -6.782 2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.859 -7.426 1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.850 -7.647 3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.884 -8.449 1.503 1.00 0.00 H new ATOM 814 N THR A 53 1.126 -9.226 5.084 1.00 0.00 N ATOM 815 CA THR A 53 1.587 -8.850 6.421 1.00 0.00 C ATOM 816 C THR A 53 2.134 -7.421 6.381 1.00 0.00 C ATOM 817 O THR A 53 2.344 -6.865 5.302 1.00 0.00 O ATOM 818 CB THR A 53 2.688 -9.813 6.912 1.00 0.00 C ATOM 819 OG1 THR A 53 3.949 -9.415 6.388 1.00 0.00 O ATOM 820 CG2 THR A 53 2.381 -11.239 6.454 1.00 0.00 C ATOM 0 H THR A 53 1.873 -9.375 4.406 1.00 0.00 H new ATOM 0 HA THR A 53 0.746 -8.908 7.112 1.00 0.00 H new ATOM 0 HB THR A 53 2.719 -9.781 8.001 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.644 -10.029 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.164 -11.911 6.806 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.421 -11.554 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.338 -11.270 5.365 1.00 0.00 H new ATOM 828 N PRO A 54 2.385 -6.814 7.547 1.00 0.00 N ATOM 829 CA PRO A 54 2.924 -5.438 7.609 1.00 0.00 C ATOM 830 C PRO A 54 4.373 -5.356 7.129 1.00 0.00 C ATOM 831 O PRO A 54 4.815 -4.323 6.625 1.00 0.00 O ATOM 832 CB PRO A 54 2.802 -5.099 9.089 1.00 0.00 C ATOM 833 CG PRO A 54 2.750 -6.421 9.838 1.00 0.00 C ATOM 834 CD PRO A 54 2.173 -7.452 8.865 1.00 0.00 C ATOM 0 HA PRO A 54 2.391 -4.746 6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.650 -4.500 9.420 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.904 -4.511 9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.745 -6.717 10.171 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.127 -6.338 10.729 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.688 -8.410 8.938 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.117 -7.643 9.057 1.00 0.00 H new ATOM 842 N GLU A 55 5.097 -6.469 7.274 1.00 0.00 N ATOM 843 CA GLU A 55 6.491 -6.534 6.834 1.00 0.00 C ATOM 844 C GLU A 55 6.549 -6.842 5.334 1.00 0.00 C ATOM 845 O GLU A 55 7.432 -6.359 4.623 1.00 0.00 O ATOM 846 CB GLU A 55 7.263 -7.620 7.601 1.00 0.00 C ATOM 847 CG GLU A 55 6.877 -7.602 9.089 1.00 0.00 C ATOM 848 CD GLU A 55 7.218 -6.244 9.702 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.387 -6.010 9.964 1.00 0.00 O ATOM 850 OE2 GLU A 55 6.304 -5.458 9.902 1.00 0.00 O ATOM 0 H GLU A 55 4.743 -7.331 7.690 1.00 0.00 H new ATOM 0 HA GLU A 55 6.953 -5.567 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.046 -8.599 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.335 -7.456 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.811 -7.802 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.407 -8.393 9.620 1.00 0.00 H new ATOM 857 N GLU A 56 5.583 -7.647 4.865 1.00 0.00 N ATOM 858 CA GLU A 56 5.508 -8.016 3.449 1.00 0.00 C ATOM 859 C GLU A 56 5.159 -6.794 2.599 1.00 0.00 C ATOM 860 O GLU A 56 5.901 -6.432 1.684 1.00 0.00 O ATOM 861 CB GLU A 56 4.443 -9.100 3.233 1.00 0.00 C ATOM 862 CG GLU A 56 4.632 -9.747 1.858 1.00 0.00 C ATOM 863 CD GLU A 56 3.733 -10.974 1.743 1.00 0.00 C ATOM 864 OE1 GLU A 56 2.562 -10.801 1.443 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.227 -12.069 1.957 1.00 0.00 O ATOM 0 H GLU A 56 4.848 -8.051 5.445 1.00 0.00 H new ATOM 0 HA GLU A 56 6.482 -8.402 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.517 -9.856 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.447 -8.664 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.391 -9.032 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.675 -10.033 1.720 1.00 0.00 H new ATOM 872 N LEU A 57 4.022 -6.157 2.917 1.00 0.00 N ATOM 873 CA LEU A 57 3.584 -4.967 2.180 1.00 0.00 C ATOM 874 C LEU A 57 4.615 -3.835 2.285 1.00 0.00 C ATOM 875 O LEU A 57 4.702 -2.984 1.398 1.00 0.00 O ATOM 876 CB LEU A 57 2.236 -4.469 2.715 1.00 0.00 C ATOM 877 CG LEU A 57 2.256 -3.909 4.144 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.475 -2.394 4.104 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.920 -4.211 4.826 1.00 0.00 C ATOM 0 H LEU A 57 3.397 -6.443 3.671 1.00 0.00 H new ATOM 0 HA LEU A 57 3.480 -5.253 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.864 -3.694 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.523 -5.293 2.677 1.00 0.00 H new ATOM 0 HG LEU A 57 3.068 -4.375 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.488 -2.001 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.426 -2.177 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.666 -1.924 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.932 -3.814 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.111 -3.745 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.764 -5.289 4.860 1.00 0.00 H new ATOM 891 N GLN A 58 5.395 -3.834 3.378 1.00 0.00 N ATOM 892 CA GLN A 58 6.418 -2.802 3.587 1.00 0.00 C ATOM 893 C GLN A 58 7.366 -2.720 2.388 1.00 0.00 C ATOM 894 O GLN A 58 7.736 -1.629 1.949 1.00 0.00 O ATOM 895 CB GLN A 58 7.240 -3.099 4.849 1.00 0.00 C ATOM 896 CG GLN A 58 7.303 -1.848 5.733 1.00 0.00 C ATOM 897 CD GLN A 58 7.990 -0.712 4.976 1.00 0.00 C ATOM 898 OE1 GLN A 58 9.218 -0.613 4.973 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.263 0.157 4.325 1.00 0.00 N ATOM 0 H GLN A 58 5.337 -4.529 4.122 1.00 0.00 H new ATOM 0 HA GLN A 58 5.901 -1.850 3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.790 -3.924 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.247 -3.412 4.573 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.297 -1.547 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.848 -2.067 6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.246 0.075 4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.712 0.917 3.814 1.00 0.00 H new ATOM 908 N GLU A 59 7.755 -3.887 1.863 1.00 0.00 N ATOM 909 CA GLU A 59 8.661 -3.943 0.713 1.00 0.00 C ATOM 910 C GLU A 59 7.992 -3.382 -0.542 1.00 0.00 C ATOM 911 O GLU A 59 8.626 -2.676 -1.326 1.00 0.00 O ATOM 912 CB GLU A 59 9.102 -5.385 0.439 1.00 0.00 C ATOM 913 CG GLU A 59 10.117 -5.824 1.499 1.00 0.00 C ATOM 914 CD GLU A 59 11.486 -5.230 1.177 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.219 -5.852 0.428 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.783 -4.162 1.688 1.00 0.00 O ATOM 0 H GLU A 59 7.459 -4.798 2.213 1.00 0.00 H new ATOM 0 HA GLU A 59 9.532 -3.335 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.238 -6.049 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.544 -5.458 -0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.791 -5.497 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.179 -6.912 1.528 1.00 0.00 H new ATOM 923 N MET A 60 6.703 -3.700 -0.722 1.00 0.00 N ATOM 924 CA MET A 60 5.956 -3.218 -1.889 1.00 0.00 C ATOM 925 C MET A 60 5.964 -1.691 -1.935 1.00 0.00 C ATOM 926 O MET A 60 6.135 -1.094 -2.998 1.00 0.00 O ATOM 927 CB MET A 60 4.504 -3.708 -1.848 1.00 0.00 C ATOM 928 CG MET A 60 4.459 -5.216 -2.108 1.00 0.00 C ATOM 929 SD MET A 60 4.446 -5.521 -3.894 1.00 0.00 S ATOM 930 CE MET A 60 5.784 -6.740 -3.930 1.00 0.00 C ATOM 0 H MET A 60 6.162 -4.282 -0.082 1.00 0.00 H new ATOM 0 HA MET A 60 6.443 -3.613 -2.780 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.062 -3.484 -0.877 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.912 -3.183 -2.597 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.322 -5.700 -1.652 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.571 -5.649 -1.648 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.948 -7.070 -4.956 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.698 -6.289 -3.544 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.513 -7.596 -3.312 1.00 0.00 H new ATOM 940 N ILE A 61 5.777 -1.072 -0.765 1.00 0.00 N ATOM 941 CA ILE A 61 5.761 0.386 -0.656 1.00 0.00 C ATOM 942 C ILE A 61 7.060 0.991 -1.192 1.00 0.00 C ATOM 943 O ILE A 61 7.061 1.656 -2.224 1.00 0.00 O ATOM 944 CB ILE A 61 5.574 0.785 0.807 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.156 0.414 1.241 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.800 2.289 0.976 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.167 -0.019 2.703 1.00 0.00 C ATOM 0 H ILE A 61 5.635 -1.560 0.119 1.00 0.00 H new ATOM 0 HA ILE A 61 4.933 0.768 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 61 6.298 0.257 1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.489 1.266 1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.772 -0.392 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.664 2.562 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.813 2.542 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.084 2.836 0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.156 -0.283 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.820 -0.883 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.533 0.800 3.322 1.00 0.00 H new ATOM 959 N ASP A 62 8.158 0.758 -0.467 1.00 0.00 N ATOM 960 CA ASP A 62 9.470 1.290 -0.863 1.00 0.00 C ATOM 961 C ASP A 62 9.798 0.954 -2.323 1.00 0.00 C ATOM 962 O ASP A 62 10.463 1.731 -3.011 1.00 0.00 O ATOM 963 CB ASP A 62 10.571 0.719 0.036 1.00 0.00 C ATOM 964 CG ASP A 62 11.755 1.684 0.075 1.00 0.00 C ATOM 965 OD1 ASP A 62 12.622 1.562 -0.774 1.00 0.00 O ATOM 966 OD2 ASP A 62 11.775 2.529 0.954 1.00 0.00 O ATOM 0 H ASP A 62 8.168 0.208 0.392 1.00 0.00 H new ATOM 0 HA ASP A 62 9.424 2.374 -0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.186 0.560 1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.893 -0.252 -0.339 1.00 0.00 H new ATOM 971 N GLU A 63 9.333 -0.212 -2.785 1.00 0.00 N ATOM 972 CA GLU A 63 9.590 -0.644 -4.161 1.00 0.00 C ATOM 973 C GLU A 63 8.871 0.254 -5.174 1.00 0.00 C ATOM 974 O GLU A 63 9.476 0.712 -6.145 1.00 0.00 O ATOM 975 CB GLU A 63 9.128 -2.092 -4.368 1.00 0.00 C ATOM 976 CG GLU A 63 10.224 -3.058 -3.905 1.00 0.00 C ATOM 977 CD GLU A 63 9.750 -4.498 -4.088 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.970 -5.042 -5.158 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.177 -5.037 -3.155 1.00 0.00 O ATOM 0 H GLU A 63 8.782 -0.867 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 63 10.665 -0.572 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.210 -2.274 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.900 -2.264 -5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.136 -2.890 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.466 -2.875 -2.858 1.00 0.00 H new ATOM 986 N VAL A 64 7.571 0.483 -4.951 1.00 0.00 N ATOM 987 CA VAL A 64 6.772 1.309 -5.871 1.00 0.00 C ATOM 988 C VAL A 64 6.960 2.810 -5.628 1.00 0.00 C ATOM 989 O VAL A 64 6.761 3.613 -6.542 1.00 0.00 O ATOM 990 CB VAL A 64 5.277 0.982 -5.750 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.057 -0.526 -5.904 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.752 1.443 -4.386 1.00 0.00 C ATOM 0 H VAL A 64 7.053 0.114 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 64 7.130 1.070 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 64 4.736 1.504 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.994 -0.749 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.417 -0.848 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.604 -1.055 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.691 1.208 -4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.298 0.930 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.894 2.519 -4.286 1.00 0.00 H new ATOM 1002 N ASP A 65 7.322 3.189 -4.396 1.00 0.00 N ATOM 1003 CA ASP A 65 7.505 4.602 -4.065 1.00 0.00 C ATOM 1004 C ASP A 65 8.655 5.188 -4.888 1.00 0.00 C ATOM 1005 O ASP A 65 9.828 5.057 -4.532 1.00 0.00 O ATOM 1006 CB ASP A 65 7.799 4.778 -2.569 1.00 0.00 C ATOM 1007 CG ASP A 65 7.031 5.985 -2.023 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.100 7.040 -2.633 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.384 5.834 -1.000 1.00 0.00 O ATOM 0 H ASP A 65 7.491 2.545 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 65 6.582 5.131 -4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.512 3.878 -2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.869 4.917 -2.414 1.00 0.00 H new ATOM 1014 N GLU A 66 8.292 5.820 -6.005 1.00 0.00 N ATOM 1015 CA GLU A 66 9.282 6.417 -6.907 1.00 0.00 C ATOM 1016 C GLU A 66 9.928 7.656 -6.283 1.00 0.00 C ATOM 1017 O GLU A 66 11.143 7.844 -6.373 1.00 0.00 O ATOM 1018 CB GLU A 66 8.627 6.813 -8.235 1.00 0.00 C ATOM 1019 CG GLU A 66 8.280 5.553 -9.036 1.00 0.00 C ATOM 1020 CD GLU A 66 9.509 5.077 -9.807 1.00 0.00 C ATOM 1021 OE1 GLU A 66 9.743 5.594 -10.888 1.00 0.00 O ATOM 1022 OE2 GLU A 66 10.198 4.203 -9.306 1.00 0.00 O ATOM 0 H GLU A 66 7.324 5.932 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 66 10.053 5.668 -7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.725 7.396 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.302 7.447 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.934 4.768 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.464 5.763 -9.728 1.00 0.00 H new ATOM 1029 N ASP A 67 9.105 8.498 -5.651 1.00 0.00 N ATOM 1030 CA ASP A 67 9.614 9.721 -5.018 1.00 0.00 C ATOM 1031 C ASP A 67 10.169 9.425 -3.621 1.00 0.00 C ATOM 1032 O ASP A 67 11.176 10.006 -3.210 1.00 0.00 O ATOM 1033 CB ASP A 67 8.523 10.806 -4.912 1.00 0.00 C ATOM 1034 CG ASP A 67 7.174 10.193 -4.530 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.970 9.936 -3.356 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.362 9.997 -5.417 1.00 0.00 O ATOM 0 H ASP A 67 8.098 8.360 -5.564 1.00 0.00 H new ATOM 0 HA ASP A 67 10.416 10.095 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.813 11.547 -4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.432 11.329 -5.864 1.00 0.00 H new ATOM 1041 N GLY A 68 9.502 8.522 -2.896 1.00 0.00 N ATOM 1042 CA GLY A 68 9.932 8.161 -1.547 1.00 0.00 C ATOM 1043 C GLY A 68 9.604 9.283 -0.568 1.00 0.00 C ATOM 1044 O GLY A 68 10.461 9.727 0.198 1.00 0.00 O ATOM 0 H GLY A 68 8.668 8.032 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.438 7.241 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.004 7.965 -1.540 1.00 0.00 H new ATOM 1048 N SER A 69 8.350 9.743 -0.614 1.00 0.00 N ATOM 1049 CA SER A 69 7.903 10.828 0.260 1.00 0.00 C ATOM 1050 C SER A 69 7.263 10.281 1.536 1.00 0.00 C ATOM 1051 O SER A 69 7.622 10.680 2.645 1.00 0.00 O ATOM 1052 CB SER A 69 6.885 11.713 -0.467 1.00 0.00 C ATOM 1053 OG SER A 69 5.813 10.909 -0.954 1.00 0.00 O ATOM 0 H SER A 69 7.632 9.383 -1.243 1.00 0.00 H new ATOM 0 HA SER A 69 8.780 11.417 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.502 12.476 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.367 12.234 -1.294 1.00 0.00 H new ATOM 0 HG SER A 69 6.067 10.510 -1.812 1.00 0.00 H new ATOM 1059 N GLY A 70 6.299 9.373 1.362 1.00 0.00 N ATOM 1060 CA GLY A 70 5.592 8.782 2.500 1.00 0.00 C ATOM 1061 C GLY A 70 4.165 8.384 2.113 1.00 0.00 C ATOM 1062 O GLY A 70 3.585 7.473 2.704 1.00 0.00 O ATOM 0 H GLY A 70 5.992 9.033 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.134 7.905 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.564 9.494 3.325 1.00 0.00 H new ATOM 1066 N THR A 71 3.609 9.080 1.114 1.00 0.00 N ATOM 1067 CA THR A 71 2.252 8.796 0.646 1.00 0.00 C ATOM 1068 C THR A 71 2.303 8.061 -0.694 1.00 0.00 C ATOM 1069 O THR A 71 3.252 8.224 -1.468 1.00 0.00 O ATOM 1070 CB THR A 71 1.454 10.096 0.477 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.065 10.905 -0.522 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.428 10.859 1.803 1.00 0.00 C ATOM 0 H THR A 71 4.077 9.839 0.618 1.00 0.00 H new ATOM 0 HA THR A 71 1.760 8.170 1.390 1.00 0.00 H new ATOM 0 HB THR A 71 0.434 9.855 0.176 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.372 11.378 -1.029 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.861 11.782 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.957 10.242 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.448 11.097 2.106 1.00 0.00 H new ATOM 1080 N VAL A 72 1.277 7.251 -0.963 1.00 0.00 N ATOM 1081 CA VAL A 72 1.223 6.499 -2.216 1.00 0.00 C ATOM 1082 C VAL A 72 0.249 7.151 -3.191 1.00 0.00 C ATOM 1083 O VAL A 72 -0.951 7.245 -2.924 1.00 0.00 O ATOM 1084 CB VAL A 72 0.780 5.052 -1.972 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.928 4.247 -3.267 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.651 4.421 -0.880 1.00 0.00 C ATOM 0 H VAL A 72 0.484 7.101 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 72 2.227 6.501 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.262 5.045 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.613 3.218 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.306 4.691 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.970 4.259 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.333 3.393 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.694 4.430 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.546 4.991 0.043 1.00 0.00 H new ATOM 1096 N ASP A 73 0.779 7.578 -4.335 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.048 8.199 -5.368 1.00 0.00 C ATOM 1098 C ASP A 73 -0.643 7.112 -6.262 1.00 0.00 C ATOM 1099 O ASP A 73 -0.301 5.937 -6.133 1.00 0.00 O ATOM 1100 CB ASP A 73 0.783 9.159 -6.225 1.00 0.00 C ATOM 1101 CG ASP A 73 1.475 10.185 -5.328 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.815 11.129 -4.921 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.652 10.011 -5.057 1.00 0.00 O ATOM 0 H ASP A 73 1.769 7.507 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.844 8.763 -4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.526 8.602 -6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.142 9.666 -6.946 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.539 7.510 -7.166 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.173 6.546 -8.070 1.00 0.00 C ATOM 1110 C PHE A 74 -1.135 5.878 -8.979 1.00 0.00 C ATOM 1111 O PHE A 74 -1.273 4.705 -9.328 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.241 7.231 -8.932 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.191 6.197 -9.495 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.626 5.128 -8.700 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.638 6.312 -10.814 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.504 4.176 -9.226 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.519 5.360 -11.341 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.951 4.291 -10.547 1.00 0.00 C ATOM 0 H PHE A 74 -1.839 8.477 -7.292 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.646 5.781 -7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.793 7.957 -8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.767 7.782 -9.744 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.283 5.040 -7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.304 7.136 -11.427 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.837 3.352 -8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.865 5.450 -12.360 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.629 3.555 -10.954 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.089 6.628 -9.343 1.00 0.00 N ATOM 1129 CA ASP A 75 0.975 6.091 -10.198 1.00 0.00 C ATOM 1130 C ASP A 75 1.760 5.006 -9.459 1.00 0.00 C ATOM 1131 O ASP A 75 2.137 3.992 -10.045 1.00 0.00 O ATOM 1132 CB ASP A 75 1.938 7.204 -10.622 1.00 0.00 C ATOM 1133 CG ASP A 75 1.482 7.795 -11.953 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.908 7.289 -12.979 1.00 0.00 O ATOM 1135 OD2 ASP A 75 0.715 8.742 -11.926 1.00 0.00 O ATOM 0 H ASP A 75 0.043 7.600 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 75 0.508 5.661 -11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.970 7.982 -9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.949 6.808 -10.716 1.00 0.00 H new ATOM 1140 N GLU A 76 1.985 5.233 -8.160 1.00 0.00 N ATOM 1141 CA GLU A 76 2.713 4.270 -7.325 1.00 0.00 C ATOM 1142 C GLU A 76 1.777 3.144 -6.869 1.00 0.00 C ATOM 1143 O GLU A 76 2.225 2.058 -6.494 1.00 0.00 O ATOM 1144 CB GLU A 76 3.295 4.958 -6.081 1.00 0.00 C ATOM 1145 CG GLU A 76 3.841 6.344 -6.451 1.00 0.00 C ATOM 1146 CD GLU A 76 4.482 6.993 -5.223 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.763 7.280 -4.282 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.685 7.193 -5.242 1.00 0.00 O ATOM 0 H GLU A 76 1.676 6.070 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 76 3.524 3.858 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.525 5.054 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.091 4.346 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.576 6.254 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.035 6.974 -6.828 1.00 0.00 H new ATOM 1155 N PHE A 77 0.470 3.427 -6.904 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.549 2.457 -6.497 1.00 0.00 C ATOM 1157 C PHE A 77 -0.773 1.405 -7.590 1.00 0.00 C ATOM 1158 O PHE A 77 -1.038 0.238 -7.295 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.870 3.191 -6.215 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.929 2.218 -5.748 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.923 1.753 -4.426 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.923 1.789 -6.636 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.908 0.857 -3.995 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.909 0.894 -6.203 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.902 0.429 -4.883 1.00 0.00 C ATOM 0 H PHE A 77 0.094 4.324 -7.211 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.203 1.950 -5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.712 3.957 -5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.209 3.701 -7.117 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.158 2.086 -3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.929 2.148 -7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.901 0.496 -2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.675 0.562 -6.888 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.664 -0.260 -4.549 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.679 1.834 -8.853 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.891 0.927 -9.985 1.00 0.00 C ATOM 1177 C LEU A 78 0.332 0.043 -10.246 1.00 0.00 C ATOM 1178 O LEU A 78 0.187 -1.140 -10.565 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.201 1.729 -11.245 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.510 2.525 -11.199 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.331 3.835 -11.966 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.632 1.702 -11.836 1.00 0.00 C ATOM 0 H LEU A 78 -0.460 2.795 -9.115 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.732 0.282 -9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.379 2.421 -11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.238 1.045 -12.093 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.770 2.744 -10.163 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.260 4.404 -11.936 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.533 4.419 -11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.072 3.617 -13.002 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.563 2.269 -11.803 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.378 1.482 -12.873 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.756 0.769 -11.287 1.00 0.00 H new ATOM 1194 N VAL A 79 1.534 0.619 -10.115 1.00 0.00 N ATOM 1195 CA VAL A 79 2.769 -0.149 -10.350 1.00 0.00 C ATOM 1196 C VAL A 79 2.874 -1.340 -9.401 1.00 0.00 C ATOM 1197 O VAL A 79 3.533 -2.327 -9.714 1.00 0.00 O ATOM 1198 CB VAL A 79 4.028 0.711 -10.190 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.206 1.586 -11.429 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.920 1.593 -8.942 1.00 0.00 C ATOM 0 H VAL A 79 1.680 1.594 -9.853 1.00 0.00 H new ATOM 0 HA VAL A 79 2.709 -0.500 -11.380 1.00 0.00 H new ATOM 0 HB VAL A 79 4.892 0.056 -10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.101 2.198 -11.317 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.308 0.953 -12.310 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.336 2.233 -11.546 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.822 2.197 -8.844 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.053 2.248 -9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.807 0.963 -8.060 1.00 0.00 H new ATOM 1210 N MET A 80 2.215 -1.239 -8.244 1.00 0.00 N ATOM 1211 CA MET A 80 2.227 -2.323 -7.252 1.00 0.00 C ATOM 1212 C MET A 80 2.014 -3.690 -7.922 1.00 0.00 C ATOM 1213 O MET A 80 2.598 -4.692 -7.505 1.00 0.00 O ATOM 1214 CB MET A 80 1.126 -2.098 -6.212 1.00 0.00 C ATOM 1215 CG MET A 80 1.710 -1.384 -4.990 1.00 0.00 C ATOM 1216 SD MET A 80 0.432 -0.356 -4.223 1.00 0.00 S ATOM 1217 CE MET A 80 1.535 0.660 -3.210 1.00 0.00 C ATOM 0 H MET A 80 1.668 -0.423 -7.970 1.00 0.00 H new ATOM 0 HA MET A 80 3.202 -2.318 -6.766 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.321 -1.503 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.692 -3.053 -5.915 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.083 -2.115 -4.272 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.558 -0.767 -5.287 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.987 1.045 -2.350 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.373 0.054 -2.865 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.910 1.493 -3.804 1.00 0.00 H new ATOM 1227 N MET A 81 1.181 -3.712 -8.974 1.00 0.00 N ATOM 1228 CA MET A 81 0.905 -4.954 -9.707 1.00 0.00 C ATOM 1229 C MET A 81 2.122 -5.384 -10.533 1.00 0.00 C ATOM 1230 O MET A 81 2.631 -6.495 -10.371 1.00 0.00 O ATOM 1231 CB MET A 81 -0.290 -4.769 -10.648 1.00 0.00 C ATOM 1232 CG MET A 81 -1.591 -4.861 -9.850 1.00 0.00 C ATOM 1233 SD MET A 81 -2.990 -5.006 -10.990 1.00 0.00 S ATOM 1234 CE MET A 81 -4.097 -5.912 -9.882 1.00 0.00 C ATOM 0 H MET A 81 0.692 -2.892 -9.332 1.00 0.00 H new ATOM 0 HA MET A 81 0.678 -5.726 -8.971 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.226 -3.802 -11.148 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.274 -5.532 -11.426 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.561 -5.723 -9.183 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.709 -3.977 -9.223 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.119 -5.560 -10.021 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.046 -6.977 -10.108 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.794 -5.745 -8.848 1.00 0.00 H new ATOM 1244 N VAL A 82 2.576 -4.494 -11.425 1.00 0.00 N ATOM 1245 CA VAL A 82 3.734 -4.790 -12.284 1.00 0.00 C ATOM 1246 C VAL A 82 4.997 -5.041 -11.448 1.00 0.00 C ATOM 1247 O VAL A 82 5.824 -5.882 -11.799 1.00 0.00 O ATOM 1248 CB VAL A 82 4.002 -3.642 -13.277 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.871 -3.573 -14.305 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.085 -2.303 -12.536 1.00 0.00 C ATOM 0 H VAL A 82 2.165 -3.572 -11.571 1.00 0.00 H new ATOM 0 HA VAL A 82 3.492 -5.694 -12.843 1.00 0.00 H new ATOM 0 HB VAL A 82 4.950 -3.834 -13.780 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.065 -2.760 -15.005 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.816 -4.516 -14.850 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.925 -3.394 -13.794 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.275 -1.503 -13.251 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.144 -2.113 -12.020 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.896 -2.339 -11.809 1.00 0.00 H new ATOM 1260 N ARG A 83 5.131 -4.307 -10.336 1.00 0.00 N ATOM 1261 CA ARG A 83 6.290 -4.457 -9.447 1.00 0.00 C ATOM 1262 C ARG A 83 6.336 -5.859 -8.824 1.00 0.00 C ATOM 1263 O ARG A 83 7.402 -6.333 -8.423 1.00 0.00 O ATOM 1264 CB ARG A 83 6.236 -3.420 -8.319 1.00 0.00 C ATOM 1265 CG ARG A 83 6.444 -2.015 -8.895 1.00 0.00 C ATOM 1266 CD ARG A 83 7.942 -1.720 -9.011 1.00 0.00 C ATOM 1267 NE ARG A 83 8.251 -0.367 -8.541 1.00 0.00 N ATOM 1268 CZ ARG A 83 7.940 0.727 -9.255 1.00 0.00 C ATOM 1269 NH1 ARG A 83 7.321 0.625 -10.407 1.00 0.00 N ATOM 1270 NH2 ARG A 83 8.256 1.910 -8.796 1.00 0.00 N ATOM 0 H ARG A 83 4.455 -3.607 -10.032 1.00 0.00 H new ATOM 0 HA ARG A 83 7.185 -4.305 -10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.275 -3.475 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.004 -3.636 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.972 -1.940 -9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.967 -1.274 -8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.505 -2.448 -8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.258 -1.829 -10.048 1.00 0.00 H new ATOM 0 HE ARG A 83 8.718 -0.252 -7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.070 -0.294 -10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.091 1.465 -10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.736 1.998 -7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.022 2.745 -9.334 1.00 0.00 H new ATOM 1284 N CYS A 84 5.172 -6.514 -8.746 1.00 0.00 N ATOM 1285 CA CYS A 84 5.085 -7.859 -8.170 1.00 0.00 C ATOM 1286 C CYS A 84 5.701 -8.915 -9.100 1.00 0.00 C ATOM 1287 O CYS A 84 5.976 -10.037 -8.667 1.00 0.00 O ATOM 1288 CB CYS A 84 3.623 -8.230 -7.901 1.00 0.00 C ATOM 1289 SG CYS A 84 3.534 -9.368 -6.495 1.00 0.00 S ATOM 0 H CYS A 84 4.283 -6.137 -9.073 1.00 0.00 H new ATOM 0 HA CYS A 84 5.646 -7.845 -7.235 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.042 -7.332 -7.692 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.186 -8.694 -8.785 1.00 0.00 H new ATOM 0 HG CYS A 84 2.293 -9.680 -6.267 1.00 0.00 H new