USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 69 SER OG : rot -88:sc= 1.46 USER MOD Set 1.2: A 71 THR OG1 : rot -57:sc= 0.592 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.328 X(o=0.33,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.0265 F(o=-1,f=-0.026) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 35 CYS SG : rot 29:sc= 0.0338 USER MOD Single : A 37 SER OG : rot 130:sc= -0.554 USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.258 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 -178:sc= -0.296 (180deg=-0.3) USER MOD Single : A 47 MET CE :methyl -134:sc= -0.476 (180deg=-1.29) USER MOD Single : A 50 GLN : amide:sc=-0.00488 K(o=-0.0049,f=-0.7) USER MOD Single : A 51 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.48 USER MOD Single : A 58 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.23) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 161:sc= -0.0236 (180deg=-0.546) USER MOD Single : A 81 MET CE :methyl 173:sc= -0.26 (180deg=-0.451) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -7.421 7.587 0.434 1.00 0.00 N ATOM 66 CA TYR A 5 -7.050 6.795 -0.744 1.00 0.00 C ATOM 67 C TYR A 5 -8.180 6.825 -1.774 1.00 0.00 C ATOM 68 O TYR A 5 -7.936 6.890 -2.980 1.00 0.00 O ATOM 69 CB TYR A 5 -6.757 5.339 -0.351 1.00 0.00 C ATOM 70 CG TYR A 5 -5.711 5.311 0.743 1.00 0.00 C ATOM 71 CD1 TYR A 5 -4.357 5.484 0.428 1.00 0.00 C ATOM 72 CD2 TYR A 5 -6.100 5.123 2.076 1.00 0.00 C ATOM 73 CE1 TYR A 5 -3.394 5.469 1.444 1.00 0.00 C ATOM 74 CE2 TYR A 5 -5.137 5.109 3.090 1.00 0.00 C ATOM 75 CZ TYR A 5 -3.785 5.282 2.775 1.00 0.00 C ATOM 76 OH TYR A 5 -2.837 5.270 3.778 1.00 0.00 O ATOM 0 HA TYR A 5 -6.150 7.231 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.670 4.853 -0.008 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.406 4.781 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.056 5.629 -0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.143 4.989 2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.350 5.602 1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.437 4.964 4.117 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.277 5.130 4.642 1.00 0.00 H new ATOM 86 N LYS A 6 -9.422 6.793 -1.277 1.00 0.00 N ATOM 87 CA LYS A 6 -10.597 6.833 -2.152 1.00 0.00 C ATOM 88 C LYS A 6 -10.903 8.274 -2.581 1.00 0.00 C ATOM 89 O LYS A 6 -11.467 8.505 -3.651 1.00 0.00 O ATOM 90 CB LYS A 6 -11.820 6.251 -1.438 1.00 0.00 C ATOM 91 CG LYS A 6 -11.897 4.745 -1.705 1.00 0.00 C ATOM 92 CD LYS A 6 -12.809 4.085 -0.667 1.00 0.00 C ATOM 93 CE LYS A 6 -11.959 3.463 0.443 1.00 0.00 C ATOM 94 NZ LYS A 6 -12.568 2.173 0.877 1.00 0.00 N ATOM 0 H LYS A 6 -9.638 6.740 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.376 6.234 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.752 6.438 -0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.728 6.741 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.280 4.563 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.900 4.306 -1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.491 4.823 -0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.422 3.319 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.943 3.295 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.890 4.147 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.989 1.752 1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.529 2.346 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.611 1.520 0.069 1.00 0.00 H new ATOM 108 N ALA A 7 -10.516 9.239 -1.736 1.00 0.00 N ATOM 109 CA ALA A 7 -10.743 10.656 -2.038 1.00 0.00 C ATOM 110 C ALA A 7 -9.814 11.132 -3.162 1.00 0.00 C ATOM 111 O ALA A 7 -10.133 12.080 -3.882 1.00 0.00 O ATOM 112 CB ALA A 7 -10.499 11.514 -0.794 1.00 0.00 C ATOM 0 H ALA A 7 -10.049 9.066 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.779 10.763 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.672 12.563 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.181 11.207 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.470 11.384 -0.458 1.00 0.00 H new ATOM 118 N ALA A 8 -8.662 10.465 -3.304 1.00 0.00 N ATOM 119 CA ALA A 8 -7.693 10.825 -4.343 1.00 0.00 C ATOM 120 C ALA A 8 -8.049 10.161 -5.675 1.00 0.00 C ATOM 121 O ALA A 8 -7.990 10.796 -6.729 1.00 0.00 O ATOM 122 CB ALA A 8 -6.284 10.394 -3.935 1.00 0.00 C ATOM 0 H ALA A 8 -8.381 9.680 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.724 11.908 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.578 10.669 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.006 10.891 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.262 9.314 -3.790 1.00 0.00 H new ATOM 128 N VAL A 9 -8.418 8.877 -5.616 1.00 0.00 N ATOM 129 CA VAL A 9 -8.784 8.135 -6.829 1.00 0.00 C ATOM 130 C VAL A 9 -10.055 8.719 -7.473 1.00 0.00 C ATOM 131 O VAL A 9 -10.266 8.586 -8.678 1.00 0.00 O ATOM 132 CB VAL A 9 -8.996 6.645 -6.510 1.00 0.00 C ATOM 133 CG1 VAL A 9 -10.278 6.454 -5.692 1.00 0.00 C ATOM 134 CG2 VAL A 9 -9.099 5.850 -7.818 1.00 0.00 C ATOM 0 H VAL A 9 -8.471 8.335 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.962 8.232 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.148 6.284 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.416 5.395 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.200 7.010 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.131 6.821 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.249 4.794 -7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.942 6.219 -8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.179 5.971 -8.391 1.00 0.00 H new ATOM 144 N GLU A 10 -10.895 9.366 -6.660 1.00 0.00 N ATOM 145 CA GLU A 10 -12.128 9.969 -7.169 1.00 0.00 C ATOM 146 C GLU A 10 -11.873 11.352 -7.792 1.00 0.00 C ATOM 147 O GLU A 10 -12.715 11.867 -8.530 1.00 0.00 O ATOM 148 CB GLU A 10 -13.158 10.108 -6.041 1.00 0.00 C ATOM 149 CG GLU A 10 -12.688 11.156 -5.025 1.00 0.00 C ATOM 150 CD GLU A 10 -13.875 11.646 -4.203 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.159 11.035 -3.186 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.481 12.627 -4.602 1.00 0.00 O ATOM 0 H GLU A 10 -10.746 9.485 -5.658 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.513 9.308 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.124 10.398 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.298 9.147 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.932 10.726 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.221 11.994 -5.543 1.00 0.00 H new ATOM 159 N GLN A 11 -10.716 11.958 -7.477 1.00 0.00 N ATOM 160 CA GLN A 11 -10.395 13.291 -8.005 1.00 0.00 C ATOM 161 C GLN A 11 -9.273 13.256 -9.058 1.00 0.00 C ATOM 162 O GLN A 11 -8.947 14.289 -9.648 1.00 0.00 O ATOM 163 CB GLN A 11 -9.983 14.231 -6.863 1.00 0.00 C ATOM 164 CG GLN A 11 -8.673 13.752 -6.229 1.00 0.00 C ATOM 165 CD GLN A 11 -8.190 14.783 -5.214 1.00 0.00 C ATOM 166 OE1 GLN A 11 -7.610 15.803 -5.584 1.00 0.00 O ATOM 167 NE2 GLN A 11 -8.397 14.576 -3.941 1.00 0.00 N ATOM 0 H GLN A 11 -10.001 11.555 -6.871 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.298 13.660 -8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.862 15.245 -7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.769 14.265 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.824 12.789 -5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.917 13.604 -7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.878 13.731 -3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.078 15.260 -3.255 1.00 0.00 H new ATOM 176 N LEU A 12 -8.683 12.076 -9.295 1.00 0.00 N ATOM 177 CA LEU A 12 -7.602 11.959 -10.286 1.00 0.00 C ATOM 178 C LEU A 12 -8.145 12.128 -11.708 1.00 0.00 C ATOM 179 O LEU A 12 -9.353 12.280 -11.916 1.00 0.00 O ATOM 180 CB LEU A 12 -6.884 10.602 -10.175 1.00 0.00 C ATOM 181 CG LEU A 12 -7.785 9.379 -9.969 1.00 0.00 C ATOM 182 CD1 LEU A 12 -8.823 9.293 -11.091 1.00 0.00 C ATOM 183 CD2 LEU A 12 -6.930 8.109 -9.974 1.00 0.00 C ATOM 0 H LEU A 12 -8.929 11.205 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.886 12.754 -10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.298 10.448 -11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.179 10.653 -9.345 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.299 9.476 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.457 8.420 -10.934 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.437 10.193 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.315 9.204 -12.051 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.570 7.239 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.413 8.022 -10.930 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.198 8.160 -9.168 1.00 0.00 H new ATOM 195 N THR A 13 -7.236 12.098 -12.686 1.00 0.00 N ATOM 196 CA THR A 13 -7.625 12.248 -14.092 1.00 0.00 C ATOM 197 C THR A 13 -7.783 10.883 -14.759 1.00 0.00 C ATOM 198 O THR A 13 -7.400 9.851 -14.199 1.00 0.00 O ATOM 199 CB THR A 13 -6.572 13.056 -14.871 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.329 13.035 -14.177 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.045 14.500 -15.032 1.00 0.00 C ATOM 0 H THR A 13 -6.235 11.973 -12.534 1.00 0.00 H new ATOM 0 HA THR A 13 -8.577 12.778 -14.110 1.00 0.00 H new ATOM 0 HB THR A 13 -6.438 12.607 -15.855 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.664 13.550 -14.681 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.297 15.069 -15.584 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.988 14.515 -15.578 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.188 14.948 -14.049 1.00 0.00 H new ATOM 209 N ASP A 14 -8.330 10.893 -15.977 1.00 0.00 N ATOM 210 CA ASP A 14 -8.510 9.655 -16.735 1.00 0.00 C ATOM 211 C ASP A 14 -7.150 9.149 -17.208 1.00 0.00 C ATOM 212 O ASP A 14 -6.922 7.943 -17.313 1.00 0.00 O ATOM 213 CB ASP A 14 -9.411 9.884 -17.952 1.00 0.00 C ATOM 214 CG ASP A 14 -10.308 8.664 -18.157 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.855 7.716 -18.777 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.434 8.698 -17.689 1.00 0.00 O ATOM 0 H ASP A 14 -8.652 11.735 -16.454 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.982 8.918 -16.085 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.020 10.776 -17.805 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.804 10.056 -18.841 1.00 0.00 H new ATOM 221 N GLU A 15 -6.248 10.098 -17.478 1.00 0.00 N ATOM 222 CA GLU A 15 -4.897 9.767 -17.924 1.00 0.00 C ATOM 223 C GLU A 15 -4.130 9.014 -16.831 1.00 0.00 C ATOM 224 O GLU A 15 -3.292 8.160 -17.124 1.00 0.00 O ATOM 225 CB GLU A 15 -4.137 11.045 -18.304 1.00 0.00 C ATOM 226 CG GLU A 15 -3.917 11.934 -17.068 1.00 0.00 C ATOM 227 CD GLU A 15 -2.518 11.705 -16.490 1.00 0.00 C ATOM 228 OE1 GLU A 15 -1.558 11.791 -17.241 1.00 0.00 O ATOM 229 OE2 GLU A 15 -2.427 11.456 -15.299 1.00 0.00 O ATOM 0 H GLU A 15 -6.431 11.098 -17.395 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.977 9.122 -18.799 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.176 10.784 -18.747 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.697 11.596 -19.060 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.038 12.983 -17.340 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.671 11.711 -16.313 1.00 0.00 H new ATOM 236 N GLN A 16 -4.440 9.332 -15.568 1.00 0.00 N ATOM 237 CA GLN A 16 -3.791 8.677 -14.434 1.00 0.00 C ATOM 238 C GLN A 16 -4.241 7.221 -14.349 1.00 0.00 C ATOM 239 O GLN A 16 -3.429 6.318 -14.141 1.00 0.00 O ATOM 240 CB GLN A 16 -4.146 9.393 -13.126 1.00 0.00 C ATOM 241 CG GLN A 16 -3.029 9.180 -12.099 1.00 0.00 C ATOM 242 CD GLN A 16 -3.578 8.425 -10.889 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.033 7.211 -11.042 1.00 0.00 O flip ATOM 244 NE2 GLN A 16 -3.594 8.952 -9.777 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.133 10.035 -15.310 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.712 8.720 -14.582 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.285 10.458 -13.310 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.089 9.011 -12.736 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.210 8.619 -12.549 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.622 10.141 -11.786 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.239 9.901 -9.657 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.963 8.440 -8.975 1.00 0.00 H new ATOM 253 N LYS A 17 -5.548 7.007 -14.530 1.00 0.00 N ATOM 254 CA LYS A 17 -6.110 5.657 -14.491 1.00 0.00 C ATOM 255 C LYS A 17 -5.572 4.837 -15.662 1.00 0.00 C ATOM 256 O LYS A 17 -5.192 3.677 -15.500 1.00 0.00 O ATOM 257 CB LYS A 17 -7.639 5.701 -14.582 1.00 0.00 C ATOM 258 CG LYS A 17 -8.214 6.453 -13.377 1.00 0.00 C ATOM 259 CD LYS A 17 -9.562 7.073 -13.756 1.00 0.00 C ATOM 260 CE LYS A 17 -10.653 5.998 -13.729 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.211 5.882 -12.350 1.00 0.00 N ATOM 0 H LYS A 17 -6.230 7.745 -14.703 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.820 5.197 -13.546 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.943 6.192 -15.506 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.039 4.688 -14.613 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.339 5.771 -12.536 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.521 7.231 -13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.812 7.875 -13.062 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.502 7.518 -14.749 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.446 6.253 -14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.241 5.040 -14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.951 5.152 -12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.452 5.619 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.619 6.794 -12.063 1.00 0.00 H new ATOM 275 N ASN A 18 -5.538 5.465 -16.845 1.00 0.00 N ATOM 276 CA ASN A 18 -5.040 4.801 -18.053 1.00 0.00 C ATOM 277 C ASN A 18 -3.547 4.482 -17.934 1.00 0.00 C ATOM 278 O ASN A 18 -3.068 3.509 -18.516 1.00 0.00 O ATOM 279 CB ASN A 18 -5.257 5.689 -19.284 1.00 0.00 C ATOM 280 CG ASN A 18 -6.716 5.610 -19.732 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.326 4.539 -19.706 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.317 6.691 -20.149 1.00 0.00 N ATOM 0 H ASN A 18 -5.848 6.426 -16.989 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.597 3.871 -18.165 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.995 6.721 -19.050 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.601 5.370 -20.094 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.290 6.649 -20.453 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.814 7.578 -20.171 1.00 0.00 H new ATOM 289 N GLU A 19 -2.820 5.309 -17.173 1.00 0.00 N ATOM 290 CA GLU A 19 -1.381 5.104 -16.981 1.00 0.00 C ATOM 291 C GLU A 19 -1.105 3.681 -16.491 1.00 0.00 C ATOM 292 O GLU A 19 -0.297 2.956 -17.073 1.00 0.00 O ATOM 293 CB GLU A 19 -0.832 6.103 -15.954 1.00 0.00 C ATOM 294 CG GLU A 19 0.697 6.109 -16.008 1.00 0.00 C ATOM 295 CD GLU A 19 1.169 7.113 -17.056 1.00 0.00 C ATOM 296 OE1 GLU A 19 1.317 8.274 -16.712 1.00 0.00 O ATOM 297 OE2 GLU A 19 1.372 6.705 -18.189 1.00 0.00 O ATOM 0 H GLU A 19 -3.201 6.119 -16.684 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.886 5.259 -17.940 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.217 7.101 -16.162 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.169 5.833 -14.953 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.104 6.369 -15.031 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.066 5.113 -16.252 1.00 0.00 H new ATOM 304 N PHE A 20 -1.796 3.295 -15.418 1.00 0.00 N ATOM 305 CA PHE A 20 -1.636 1.956 -14.850 1.00 0.00 C ATOM 306 C PHE A 20 -2.476 0.935 -15.619 1.00 0.00 C ATOM 307 O PHE A 20 -2.010 -0.160 -15.921 1.00 0.00 O ATOM 308 CB PHE A 20 -2.085 1.936 -13.388 1.00 0.00 C ATOM 309 CG PHE A 20 -1.010 2.515 -12.498 1.00 0.00 C ATOM 310 CD1 PHE A 20 0.031 1.701 -12.033 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.064 3.862 -12.122 1.00 0.00 C ATOM 312 CE1 PHE A 20 1.016 2.232 -11.197 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.079 4.394 -11.282 1.00 0.00 C ATOM 314 CZ PHE A 20 0.961 3.579 -10.818 1.00 0.00 C ATOM 0 H PHE A 20 -2.467 3.886 -14.927 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.580 1.696 -14.922 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.006 2.508 -13.276 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.306 0.913 -13.083 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.072 0.661 -12.321 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.866 4.491 -12.480 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.820 1.604 -10.843 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.121 5.433 -10.992 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.720 3.989 -10.168 1.00 0.00 H new ATOM 324 N LYS A 21 -3.729 1.308 -15.916 1.00 0.00 N ATOM 325 CA LYS A 21 -4.655 0.420 -16.633 1.00 0.00 C ATOM 326 C LYS A 21 -4.052 -0.100 -17.943 1.00 0.00 C ATOM 327 O LYS A 21 -4.298 -1.241 -18.328 1.00 0.00 O ATOM 328 CB LYS A 21 -5.966 1.152 -16.938 1.00 0.00 C ATOM 329 CG LYS A 21 -6.999 0.166 -17.495 1.00 0.00 C ATOM 330 CD LYS A 21 -7.487 0.655 -18.862 1.00 0.00 C ATOM 331 CE LYS A 21 -8.929 0.192 -19.089 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.705 1.280 -19.750 1.00 0.00 N ATOM 0 H LYS A 21 -4.124 2.216 -15.672 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.848 -0.433 -15.983 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.350 1.621 -16.032 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.787 1.950 -17.658 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.557 -0.826 -17.588 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.840 0.077 -16.807 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.432 1.742 -18.911 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.842 0.267 -19.650 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.941 -0.705 -19.708 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.391 -0.072 -18.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.684 0.964 -19.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.705 2.125 -19.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.268 1.511 -20.665 1.00 0.00 H new ATOM 346 N ALA A 22 -3.260 0.739 -18.620 1.00 0.00 N ATOM 347 CA ALA A 22 -2.627 0.330 -19.879 1.00 0.00 C ATOM 348 C ALA A 22 -1.741 -0.891 -19.644 1.00 0.00 C ATOM 349 O ALA A 22 -1.895 -1.923 -20.300 1.00 0.00 O ATOM 350 CB ALA A 22 -1.772 1.464 -20.447 1.00 0.00 C ATOM 0 H ALA A 22 -3.044 1.691 -18.323 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.414 0.085 -20.592 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.312 1.140 -21.380 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.401 2.334 -20.635 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.994 1.727 -19.731 1.00 0.00 H new ATOM 356 N ALA A 23 -0.829 -0.760 -18.679 1.00 0.00 N ATOM 357 CA ALA A 23 0.072 -1.853 -18.322 1.00 0.00 C ATOM 358 C ALA A 23 -0.727 -2.999 -17.705 1.00 0.00 C ATOM 359 O ALA A 23 -0.456 -4.171 -17.949 1.00 0.00 O ATOM 360 CB ALA A 23 1.116 -1.375 -17.306 1.00 0.00 C ATOM 0 H ALA A 23 -0.696 0.091 -18.133 1.00 0.00 H new ATOM 0 HA ALA A 23 0.577 -2.193 -19.226 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.780 -2.201 -17.050 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.699 -0.562 -17.738 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.613 -1.022 -16.406 1.00 0.00 H new ATOM 366 N PHE A 24 -1.724 -2.630 -16.903 1.00 0.00 N ATOM 367 CA PHE A 24 -2.579 -3.611 -16.240 1.00 0.00 C ATOM 368 C PHE A 24 -3.290 -4.506 -17.259 1.00 0.00 C ATOM 369 O PHE A 24 -3.339 -5.721 -17.097 1.00 0.00 O ATOM 370 CB PHE A 24 -3.633 -2.892 -15.389 1.00 0.00 C ATOM 371 CG PHE A 24 -4.205 -3.843 -14.368 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.200 -4.754 -14.739 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.741 -3.814 -13.049 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.731 -5.634 -13.792 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.271 -4.693 -12.102 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.267 -5.603 -12.473 1.00 0.00 C ATOM 0 H PHE A 24 -1.959 -1.659 -16.697 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.945 -4.233 -15.608 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.185 -2.034 -14.888 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.429 -2.509 -16.028 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.558 -4.777 -15.758 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.972 -3.111 -12.763 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.499 -6.337 -14.078 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.912 -4.670 -11.084 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.678 -6.282 -11.740 1.00 0.00 H new ATOM 386 N ASP A 25 -3.851 -3.884 -18.299 1.00 0.00 N ATOM 387 CA ASP A 25 -4.583 -4.626 -19.333 1.00 0.00 C ATOM 388 C ASP A 25 -3.685 -5.613 -20.085 1.00 0.00 C ATOM 389 O ASP A 25 -4.100 -6.736 -20.381 1.00 0.00 O ATOM 390 CB ASP A 25 -5.203 -3.658 -20.346 1.00 0.00 C ATOM 391 CG ASP A 25 -6.634 -4.088 -20.655 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.799 -5.015 -21.431 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.544 -3.485 -20.109 1.00 0.00 O ATOM 0 H ASP A 25 -3.814 -2.876 -18.449 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.362 -5.190 -18.820 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.195 -2.644 -19.947 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.611 -3.645 -21.261 1.00 0.00 H new ATOM 398 N ILE A 26 -2.463 -5.182 -20.409 1.00 0.00 N ATOM 399 CA ILE A 26 -1.528 -6.040 -21.150 1.00 0.00 C ATOM 400 C ILE A 26 -0.935 -7.136 -20.257 1.00 0.00 C ATOM 401 O ILE A 26 -0.702 -8.256 -20.714 1.00 0.00 O ATOM 402 CB ILE A 26 -0.385 -5.213 -21.765 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.339 -4.417 -20.669 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.961 -4.245 -22.802 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.589 -3.746 -21.243 1.00 0.00 C ATOM 0 H ILE A 26 -2.099 -4.258 -20.175 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.101 -6.512 -21.948 1.00 0.00 H new ATOM 0 HB ILE A 26 0.326 -5.886 -22.244 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.330 -3.663 -20.255 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.617 -5.081 -19.850 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.154 -3.658 -23.239 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.465 -4.810 -23.586 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.675 -3.577 -22.320 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.094 -3.185 -20.457 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.263 -4.507 -21.635 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.301 -3.067 -22.046 1.00 0.00 H new ATOM 417 N PHE A 27 -0.688 -6.804 -18.985 1.00 0.00 N ATOM 418 CA PHE A 27 -0.110 -7.777 -18.052 1.00 0.00 C ATOM 419 C PHE A 27 -1.151 -8.810 -17.602 1.00 0.00 C ATOM 420 O PHE A 27 -0.813 -9.975 -17.385 1.00 0.00 O ATOM 421 CB PHE A 27 0.496 -7.071 -16.830 1.00 0.00 C ATOM 422 CG PHE A 27 1.685 -6.237 -17.270 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.579 -6.733 -18.231 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.889 -4.962 -16.726 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.667 -5.958 -18.645 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.980 -4.189 -17.141 1.00 0.00 C ATOM 427 CZ PHE A 27 3.867 -4.685 -18.101 1.00 0.00 C ATOM 0 H PHE A 27 -0.875 -5.885 -18.583 1.00 0.00 H new ATOM 0 HA PHE A 27 0.684 -8.303 -18.582 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.252 -6.436 -16.355 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.808 -7.806 -16.088 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.427 -7.716 -18.652 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.204 -4.575 -15.986 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.353 -6.343 -19.385 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.137 -3.207 -16.719 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.706 -4.086 -18.422 1.00 0.00 H new ATOM 437 N ILE A 28 -2.420 -8.391 -17.489 1.00 0.00 N ATOM 438 CA ILE A 28 -3.485 -9.328 -17.092 1.00 0.00 C ATOM 439 C ILE A 28 -4.208 -9.890 -18.330 1.00 0.00 C ATOM 440 O ILE A 28 -5.271 -10.501 -18.211 1.00 0.00 O ATOM 441 CB ILE A 28 -4.522 -8.663 -16.164 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.362 -7.641 -16.944 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.814 -7.964 -15.001 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.714 -8.257 -17.304 1.00 0.00 C ATOM 0 H ILE A 28 -2.731 -7.435 -17.661 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.001 -10.139 -16.547 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.181 -9.438 -15.772 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.508 -6.742 -16.345 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.836 -7.338 -17.850 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.555 -7.498 -14.352 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.241 -8.696 -14.431 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.141 -7.200 -15.391 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.309 -7.531 -17.857 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.558 -9.143 -17.920 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.240 -8.538 -16.392 1.00 0.00 H new ATOM 456 N GLN A 29 -3.615 -9.678 -19.515 1.00 0.00 N ATOM 457 CA GLN A 29 -4.199 -10.160 -20.773 1.00 0.00 C ATOM 458 C GLN A 29 -4.620 -11.632 -20.673 1.00 0.00 C ATOM 459 O GLN A 29 -5.664 -12.026 -21.198 1.00 0.00 O ATOM 460 CB GLN A 29 -3.177 -10.008 -21.906 1.00 0.00 C ATOM 461 CG GLN A 29 -3.754 -10.562 -23.210 1.00 0.00 C ATOM 462 CD GLN A 29 -2.823 -10.213 -24.368 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.272 -11.101 -25.018 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.612 -8.959 -24.670 1.00 0.00 N ATOM 0 H GLN A 29 -2.734 -9.177 -19.627 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.087 -9.562 -20.979 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.915 -8.957 -22.032 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.259 -10.537 -21.652 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.872 -11.643 -23.137 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.745 -10.145 -23.388 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.068 -8.221 -24.133 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.992 -8.718 -25.443 1.00 0.00 H new ATOM 473 N ASP A 30 -3.794 -12.436 -20.002 1.00 0.00 N ATOM 474 CA ASP A 30 -4.081 -13.868 -19.843 1.00 0.00 C ATOM 475 C ASP A 30 -4.550 -14.197 -18.415 1.00 0.00 C ATOM 476 O ASP A 30 -4.464 -15.346 -17.974 1.00 0.00 O ATOM 477 CB ASP A 30 -2.829 -14.694 -20.168 1.00 0.00 C ATOM 478 CG ASP A 30 -2.398 -14.427 -21.610 1.00 0.00 C ATOM 479 OD1 ASP A 30 -2.880 -15.121 -22.490 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.595 -13.530 -21.813 1.00 0.00 O ATOM 0 H ASP A 30 -2.927 -12.127 -19.562 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.884 -14.121 -20.535 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.022 -14.435 -19.483 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.035 -15.755 -20.030 1.00 0.00 H new ATOM 485 N ALA A 31 -5.056 -13.182 -17.704 1.00 0.00 N ATOM 486 CA ALA A 31 -5.546 -13.375 -16.340 1.00 0.00 C ATOM 487 C ALA A 31 -7.069 -13.492 -16.328 1.00 0.00 C ATOM 488 O ALA A 31 -7.756 -12.959 -17.203 1.00 0.00 O ATOM 489 CB ALA A 31 -5.130 -12.202 -15.446 1.00 0.00 C ATOM 0 H ALA A 31 -5.135 -12.226 -18.050 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.108 -14.296 -15.957 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.504 -12.364 -14.435 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.043 -12.130 -15.423 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.547 -11.276 -15.843 1.00 0.00 H new ATOM 495 N GLU A 32 -7.586 -14.191 -15.317 1.00 0.00 N ATOM 496 CA GLU A 32 -9.033 -14.377 -15.176 1.00 0.00 C ATOM 497 C GLU A 32 -9.479 -14.031 -13.750 1.00 0.00 C ATOM 498 O GLU A 32 -10.306 -14.726 -13.154 1.00 0.00 O ATOM 499 CB GLU A 32 -9.427 -15.826 -15.505 1.00 0.00 C ATOM 500 CG GLU A 32 -8.583 -16.804 -14.674 1.00 0.00 C ATOM 501 CD GLU A 32 -9.458 -17.959 -14.195 1.00 0.00 C ATOM 502 OE1 GLU A 32 -10.040 -17.833 -13.128 1.00 0.00 O ATOM 503 OE2 GLU A 32 -9.532 -18.953 -14.899 1.00 0.00 O ATOM 0 H GLU A 32 -7.029 -14.636 -14.587 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.532 -13.709 -15.878 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.486 -15.979 -15.297 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.280 -16.019 -16.568 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.756 -17.186 -15.273 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.146 -16.287 -13.820 1.00 0.00 H new ATOM 510 N ASP A 33 -8.911 -12.948 -13.207 1.00 0.00 N ATOM 511 CA ASP A 33 -9.245 -12.516 -11.847 1.00 0.00 C ATOM 512 C ASP A 33 -9.358 -10.993 -11.757 1.00 0.00 C ATOM 513 O ASP A 33 -10.316 -10.465 -11.191 1.00 0.00 O ATOM 514 CB ASP A 33 -8.180 -13.000 -10.856 1.00 0.00 C ATOM 515 CG ASP A 33 -8.353 -14.497 -10.610 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.767 -15.273 -11.349 1.00 0.00 O ATOM 517 OD2 ASP A 33 -9.072 -14.847 -9.688 1.00 0.00 O ATOM 0 H ASP A 33 -8.226 -12.361 -13.683 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.210 -12.954 -11.594 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.184 -12.799 -11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.268 -12.454 -9.917 1.00 0.00 H new ATOM 522 N GLY A 34 -8.364 -10.297 -12.313 1.00 0.00 N ATOM 523 CA GLY A 34 -8.350 -8.833 -12.286 1.00 0.00 C ATOM 524 C GLY A 34 -7.175 -8.327 -11.452 1.00 0.00 C ATOM 525 O GLY A 34 -7.321 -7.410 -10.642 1.00 0.00 O ATOM 0 H GLY A 34 -7.564 -10.720 -12.784 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.277 -8.445 -13.302 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.286 -8.462 -11.870 1.00 0.00 H new ATOM 529 N CYS A 35 -6.007 -8.943 -11.662 1.00 0.00 N ATOM 530 CA CYS A 35 -4.797 -8.562 -10.929 1.00 0.00 C ATOM 531 C CYS A 35 -3.544 -8.949 -11.714 1.00 0.00 C ATOM 532 O CYS A 35 -3.530 -9.951 -12.434 1.00 0.00 O ATOM 533 CB CYS A 35 -4.757 -9.243 -9.556 1.00 0.00 C ATOM 534 SG CYS A 35 -4.939 -11.035 -9.753 1.00 0.00 S ATOM 0 H CYS A 35 -5.875 -9.703 -12.329 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.820 -7.480 -10.795 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.816 -9.017 -9.055 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.556 -8.855 -8.924 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.461 -11.395 -10.907 1.00 0.00 H new ATOM 540 N ILE A 36 -2.488 -8.150 -11.553 1.00 0.00 N ATOM 541 CA ILE A 36 -1.220 -8.418 -12.238 1.00 0.00 C ATOM 542 C ILE A 36 -0.289 -9.191 -11.303 1.00 0.00 C ATOM 543 O ILE A 36 -0.582 -9.358 -10.120 1.00 0.00 O ATOM 544 CB ILE A 36 -0.531 -7.112 -12.684 1.00 0.00 C ATOM 545 CG1 ILE A 36 -0.030 -6.330 -11.460 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.516 -6.243 -13.472 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.484 -6.519 -11.317 1.00 0.00 C ATOM 0 H ILE A 36 -2.483 -7.320 -10.961 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.435 -9.009 -13.128 1.00 0.00 H new ATOM 0 HB ILE A 36 0.318 -7.367 -13.319 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.266 -5.272 -11.570 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.537 -6.678 -10.560 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.021 -5.323 -13.783 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.857 -6.787 -14.353 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.371 -6.000 -12.842 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.840 -5.964 -10.449 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.708 -7.578 -11.188 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.983 -6.149 -12.213 1.00 0.00 H new ATOM 559 N SER A 37 0.834 -9.657 -11.844 1.00 0.00 N ATOM 560 CA SER A 37 1.795 -10.406 -11.039 1.00 0.00 C ATOM 561 C SER A 37 2.853 -9.469 -10.459 1.00 0.00 C ATOM 562 O SER A 37 3.640 -8.873 -11.196 1.00 0.00 O ATOM 563 CB SER A 37 2.480 -11.485 -11.885 1.00 0.00 C ATOM 564 OG SER A 37 2.621 -12.668 -11.110 1.00 0.00 O ATOM 0 H SER A 37 1.098 -9.532 -12.821 1.00 0.00 H new ATOM 0 HA SER A 37 1.252 -10.882 -10.223 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.892 -11.690 -12.780 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.457 -11.136 -12.219 1.00 0.00 H new ATOM 0 HG SER A 37 2.280 -13.434 -11.617 1.00 0.00 H new ATOM 570 N THR A 38 2.866 -9.349 -9.125 1.00 0.00 N ATOM 571 CA THR A 38 3.844 -8.487 -8.440 1.00 0.00 C ATOM 572 C THR A 38 5.265 -8.861 -8.867 1.00 0.00 C ATOM 573 O THR A 38 6.125 -7.995 -9.033 1.00 0.00 O ATOM 574 CB THR A 38 3.731 -8.626 -6.917 1.00 0.00 C ATOM 575 OG1 THR A 38 3.970 -9.976 -6.540 1.00 0.00 O ATOM 576 CG2 THR A 38 2.333 -8.207 -6.464 1.00 0.00 C ATOM 0 H THR A 38 2.218 -9.832 -8.502 1.00 0.00 H new ATOM 0 HA THR A 38 3.630 -7.455 -8.719 1.00 0.00 H new ATOM 0 HB THR A 38 4.472 -7.983 -6.442 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.508 -9.997 -5.721 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.256 -8.307 -5.381 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.155 -7.169 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.589 -8.845 -6.941 1.00 0.00 H new ATOM 584 N LYS A 39 5.492 -10.168 -9.055 1.00 0.00 N ATOM 585 CA LYS A 39 6.803 -10.664 -9.486 1.00 0.00 C ATOM 586 C LYS A 39 7.162 -10.099 -10.865 1.00 0.00 C ATOM 587 O LYS A 39 8.334 -9.865 -11.165 1.00 0.00 O ATOM 588 CB LYS A 39 6.813 -12.200 -9.549 1.00 0.00 C ATOM 589 CG LYS A 39 5.741 -12.699 -10.525 1.00 0.00 C ATOM 590 CD LYS A 39 5.775 -14.226 -10.594 1.00 0.00 C ATOM 591 CE LYS A 39 5.205 -14.694 -11.937 1.00 0.00 C ATOM 592 NZ LYS A 39 4.837 -16.136 -11.848 1.00 0.00 N ATOM 0 H LYS A 39 4.790 -10.895 -8.916 1.00 0.00 H new ATOM 0 HA LYS A 39 7.541 -10.334 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.795 -12.551 -9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.632 -12.613 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.756 -12.362 -10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.913 -12.277 -11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.799 -14.582 -10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.195 -14.650 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.329 -14.100 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.940 -14.544 -12.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.450 -16.453 -12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.682 -16.696 -11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.121 -16.266 -11.105 1.00 0.00 H new ATOM 606 N GLU A 40 6.133 -9.873 -11.694 1.00 0.00 N ATOM 607 CA GLU A 40 6.336 -9.322 -13.035 1.00 0.00 C ATOM 608 C GLU A 40 5.997 -7.823 -13.065 1.00 0.00 C ATOM 609 O GLU A 40 5.727 -7.260 -14.129 1.00 0.00 O ATOM 610 CB GLU A 40 5.455 -10.060 -14.052 1.00 0.00 C ATOM 611 CG GLU A 40 5.996 -11.476 -14.275 1.00 0.00 C ATOM 612 CD GLU A 40 7.150 -11.434 -15.275 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.880 -11.504 -16.463 1.00 0.00 O ATOM 614 OE2 GLU A 40 8.285 -11.334 -14.838 1.00 0.00 O ATOM 0 H GLU A 40 5.159 -10.063 -11.459 1.00 0.00 H new ATOM 0 HA GLU A 40 7.385 -9.455 -13.298 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.427 -10.106 -13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.438 -9.515 -14.996 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.336 -11.899 -13.330 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.203 -12.124 -14.647 1.00 0.00 H new ATOM 621 N LEU A 41 6.026 -7.179 -11.889 1.00 0.00 N ATOM 622 CA LEU A 41 5.732 -5.746 -11.798 1.00 0.00 C ATOM 623 C LEU A 41 6.893 -4.907 -12.352 1.00 0.00 C ATOM 624 O LEU A 41 6.728 -3.717 -12.623 1.00 0.00 O ATOM 625 CB LEU A 41 5.469 -5.336 -10.347 1.00 0.00 C ATOM 626 CG LEU A 41 4.830 -3.954 -10.166 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.741 -4.023 -9.093 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.903 -2.945 -9.742 1.00 0.00 C ATOM 0 H LEU A 41 6.248 -7.624 -10.998 1.00 0.00 H new ATOM 0 HA LEU A 41 4.839 -5.560 -12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.821 -6.082 -9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.414 -5.356 -9.803 1.00 0.00 H new ATOM 0 HG LEU A 41 4.385 -3.638 -11.110 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.290 -3.038 -8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.975 -4.737 -9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.181 -4.343 -8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.448 -1.963 -9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.350 -3.264 -8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.674 -2.890 -10.510 1.00 0.00 H new ATOM 640 N GLY A 42 8.064 -5.541 -12.531 1.00 0.00 N ATOM 641 CA GLY A 42 9.235 -4.844 -13.069 1.00 0.00 C ATOM 642 C GLY A 42 8.949 -4.260 -14.459 1.00 0.00 C ATOM 643 O GLY A 42 9.660 -3.371 -14.925 1.00 0.00 O ATOM 0 H GLY A 42 8.220 -6.525 -12.312 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.528 -4.044 -12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.076 -5.535 -13.129 1.00 0.00 H new ATOM 647 N LYS A 43 7.902 -4.774 -15.118 1.00 0.00 N ATOM 648 CA LYS A 43 7.530 -4.296 -16.450 1.00 0.00 C ATOM 649 C LYS A 43 6.657 -3.034 -16.372 1.00 0.00 C ATOM 650 O LYS A 43 6.576 -2.273 -17.338 1.00 0.00 O ATOM 651 CB LYS A 43 6.759 -5.383 -17.208 1.00 0.00 C ATOM 652 CG LYS A 43 7.652 -6.612 -17.403 1.00 0.00 C ATOM 653 CD LYS A 43 8.512 -6.427 -18.655 1.00 0.00 C ATOM 654 CE LYS A 43 8.879 -7.797 -19.230 1.00 0.00 C ATOM 655 NZ LYS A 43 10.140 -8.285 -18.600 1.00 0.00 N ATOM 0 H LYS A 43 7.304 -5.515 -14.752 1.00 0.00 H new ATOM 0 HA LYS A 43 8.453 -4.054 -16.977 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.861 -5.658 -16.654 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.432 -5.002 -18.176 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.289 -6.754 -16.530 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.039 -7.508 -17.500 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.970 -5.842 -19.398 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.416 -5.870 -18.409 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.072 -8.507 -19.048 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.004 -7.727 -20.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.387 -9.216 -18.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.909 -7.612 -18.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.005 -8.368 -17.572 1.00 0.00 H new ATOM 669 N VAL A 44 6.005 -2.816 -15.219 1.00 0.00 N ATOM 670 CA VAL A 44 5.146 -1.636 -15.050 1.00 0.00 C ATOM 671 C VAL A 44 5.953 -0.465 -14.486 1.00 0.00 C ATOM 672 O VAL A 44 5.726 0.684 -14.858 1.00 0.00 O ATOM 673 CB VAL A 44 3.921 -1.925 -14.141 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.546 -3.411 -14.189 1.00 0.00 C ATOM 675 CG2 VAL A 44 4.211 -1.533 -12.686 1.00 0.00 C ATOM 0 H VAL A 44 6.055 -3.429 -14.405 1.00 0.00 H new ATOM 0 HA VAL A 44 4.766 -1.373 -16.037 1.00 0.00 H new ATOM 0 HB VAL A 44 3.090 -1.327 -14.516 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.685 -3.590 -13.545 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.297 -3.691 -15.213 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.389 -4.010 -13.844 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.337 -1.746 -12.071 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.062 -2.106 -12.318 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.440 -0.469 -12.635 1.00 0.00 H new ATOM 685 N MET A 45 6.898 -0.768 -13.587 1.00 0.00 N ATOM 686 CA MET A 45 7.735 0.277 -12.985 1.00 0.00 C ATOM 687 C MET A 45 8.498 1.052 -14.063 1.00 0.00 C ATOM 688 O MET A 45 8.732 2.254 -13.923 1.00 0.00 O ATOM 689 CB MET A 45 8.737 -0.312 -11.975 1.00 0.00 C ATOM 690 CG MET A 45 9.442 -1.541 -12.562 1.00 0.00 C ATOM 691 SD MET A 45 11.139 -1.111 -13.028 1.00 0.00 S ATOM 692 CE MET A 45 11.976 -2.399 -12.072 1.00 0.00 C ATOM 0 H MET A 45 7.100 -1.714 -13.264 1.00 0.00 H new ATOM 0 HA MET A 45 7.067 0.956 -12.456 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.476 0.443 -11.706 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.216 -0.589 -11.058 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.450 -2.350 -11.832 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.896 -1.903 -13.433 1.00 0.00 H new ATOM 0 HE1 MET A 45 13.055 -2.295 -12.188 1.00 0.00 H new ATOM 0 HE2 MET A 45 11.713 -2.299 -11.019 1.00 0.00 H new ATOM 0 HE3 MET A 45 11.665 -3.380 -12.432 1.00 0.00 H new ATOM 702 N ARG A 46 8.866 0.358 -15.145 1.00 0.00 N ATOM 703 CA ARG A 46 9.585 1.004 -16.246 1.00 0.00 C ATOM 704 C ARG A 46 8.616 1.815 -17.113 1.00 0.00 C ATOM 705 O ARG A 46 8.994 2.829 -17.702 1.00 0.00 O ATOM 706 CB ARG A 46 10.295 -0.029 -17.128 1.00 0.00 C ATOM 707 CG ARG A 46 11.157 -0.954 -16.266 1.00 0.00 C ATOM 708 CD ARG A 46 11.681 -2.111 -17.121 1.00 0.00 C ATOM 709 NE ARG A 46 13.119 -1.972 -17.365 1.00 0.00 N ATOM 710 CZ ARG A 46 13.745 -2.680 -18.317 1.00 0.00 C ATOM 711 NH1 ARG A 46 13.084 -3.532 -19.066 1.00 0.00 N ATOM 712 NH2 ARG A 46 15.032 -2.521 -18.499 1.00 0.00 N ATOM 0 H ARG A 46 8.681 -0.636 -15.281 1.00 0.00 H new ATOM 0 HA ARG A 46 10.331 1.666 -15.806 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.559 -0.614 -17.680 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.917 0.478 -17.866 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.991 -0.397 -15.839 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.572 -1.341 -15.432 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.483 -3.058 -16.619 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.148 -2.137 -18.071 1.00 0.00 H new ATOM 0 HE ARG A 46 13.658 -1.320 -16.796 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.082 -3.662 -18.928 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.573 -4.064 -19.786 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.552 -1.862 -17.919 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.515 -3.056 -19.221 1.00 0.00 H new ATOM 726 N MET A 47 7.360 1.357 -17.176 1.00 0.00 N ATOM 727 CA MET A 47 6.333 2.044 -17.966 1.00 0.00 C ATOM 728 C MET A 47 5.801 3.275 -17.224 1.00 0.00 C ATOM 729 O MET A 47 5.384 4.253 -17.848 1.00 0.00 O ATOM 730 CB MET A 47 5.166 1.098 -18.268 1.00 0.00 C ATOM 731 CG MET A 47 5.494 0.258 -19.506 1.00 0.00 C ATOM 732 SD MET A 47 5.328 1.278 -20.994 1.00 0.00 S ATOM 733 CE MET A 47 7.090 1.392 -21.395 1.00 0.00 C ATOM 0 H MET A 47 7.033 0.520 -16.693 1.00 0.00 H new ATOM 0 HA MET A 47 6.795 2.364 -18.900 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.981 0.448 -17.413 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.254 1.671 -18.436 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.508 -0.135 -19.433 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.824 -0.600 -19.564 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.343 2.425 -21.634 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.680 1.062 -20.540 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.310 0.757 -22.253 1.00 0.00 H new ATOM 743 N LEU A 48 5.827 3.219 -15.886 1.00 0.00 N ATOM 744 CA LEU A 48 5.355 4.337 -15.062 1.00 0.00 C ATOM 745 C LEU A 48 6.268 5.553 -15.237 1.00 0.00 C ATOM 746 O LEU A 48 5.829 6.698 -15.114 1.00 0.00 O ATOM 747 CB LEU A 48 5.346 3.936 -13.582 1.00 0.00 C ATOM 748 CG LEU A 48 4.013 3.398 -13.043 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.472 2.301 -13.965 1.00 0.00 C ATOM 750 CD2 LEU A 48 4.236 2.818 -11.643 1.00 0.00 C ATOM 0 H LEU A 48 6.167 2.417 -15.355 1.00 0.00 H new ATOM 0 HA LEU A 48 4.344 4.591 -15.382 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.112 3.176 -13.426 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.632 4.804 -12.988 1.00 0.00 H new ATOM 0 HG LEU A 48 3.290 4.213 -13.000 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.526 1.928 -13.571 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.313 2.710 -14.963 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.191 1.483 -14.018 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.293 2.434 -11.254 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.963 2.008 -11.696 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.610 3.599 -10.981 1.00 0.00 H new ATOM 762 N GLY A 49 7.543 5.281 -15.527 1.00 0.00 N ATOM 763 CA GLY A 49 8.530 6.345 -15.723 1.00 0.00 C ATOM 764 C GLY A 49 9.698 6.222 -14.736 1.00 0.00 C ATOM 765 O GLY A 49 10.362 7.213 -14.428 1.00 0.00 O ATOM 0 H GLY A 49 7.915 4.337 -15.631 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.910 6.306 -16.744 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.049 7.315 -15.599 1.00 0.00 H new ATOM 769 N GLN A 50 9.944 4.999 -14.247 1.00 0.00 N ATOM 770 CA GLN A 50 11.037 4.761 -13.299 1.00 0.00 C ATOM 771 C GLN A 50 11.909 3.599 -13.783 1.00 0.00 C ATOM 772 O GLN A 50 11.583 2.933 -14.765 1.00 0.00 O ATOM 773 CB GLN A 50 10.485 4.422 -11.905 1.00 0.00 C ATOM 774 CG GLN A 50 9.384 5.416 -11.508 1.00 0.00 C ATOM 775 CD GLN A 50 9.989 6.798 -11.262 1.00 0.00 C ATOM 776 OE1 GLN A 50 11.059 6.920 -10.663 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.359 7.858 -11.691 1.00 0.00 N ATOM 0 H GLN A 50 9.406 4.167 -14.490 1.00 0.00 H new ATOM 0 HA GLN A 50 11.633 5.671 -13.237 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.086 3.408 -11.902 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.291 4.450 -11.171 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.634 5.474 -12.297 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.875 5.068 -10.609 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.473 7.759 -12.187 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.753 8.785 -11.530 1.00 0.00 H new ATOM 786 N ASN A 51 13.018 3.358 -13.080 1.00 0.00 N ATOM 787 CA ASN A 51 13.921 2.263 -13.450 1.00 0.00 C ATOM 788 C ASN A 51 14.639 1.697 -12.209 1.00 0.00 C ATOM 789 O ASN A 51 15.870 1.618 -12.173 1.00 0.00 O ATOM 790 CB ASN A 51 14.965 2.742 -14.476 1.00 0.00 C ATOM 791 CG ASN A 51 15.535 4.105 -14.068 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.762 4.367 -12.886 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.784 4.996 -14.989 1.00 0.00 N ATOM 0 H ASN A 51 13.310 3.896 -12.264 1.00 0.00 H new ATOM 0 HA ASN A 51 13.317 1.473 -13.897 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.771 2.012 -14.551 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.507 2.814 -15.463 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.165 5.906 -14.729 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.597 4.783 -15.969 1.00 0.00 H new ATOM 800 N PRO A 52 13.874 1.290 -11.180 1.00 0.00 N ATOM 801 CA PRO A 52 14.452 0.727 -9.938 1.00 0.00 C ATOM 802 C PRO A 52 14.914 -0.730 -10.098 1.00 0.00 C ATOM 803 O PRO A 52 15.137 -1.207 -11.213 1.00 0.00 O ATOM 804 CB PRO A 52 13.282 0.828 -8.962 1.00 0.00 C ATOM 805 CG PRO A 52 12.012 0.854 -9.797 1.00 0.00 C ATOM 806 CD PRO A 52 12.396 1.367 -11.186 1.00 0.00 C ATOM 0 HA PRO A 52 15.351 1.254 -9.619 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.276 -0.020 -8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.363 1.729 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.574 -0.142 -9.862 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.264 1.502 -9.340 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.964 0.752 -11.976 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.047 2.387 -11.349 1.00 0.00 H new ATOM 814 N THR A 53 15.060 -1.420 -8.962 1.00 0.00 N ATOM 815 CA THR A 53 15.504 -2.819 -8.958 1.00 0.00 C ATOM 816 C THR A 53 14.320 -3.743 -8.633 1.00 0.00 C ATOM 817 O THR A 53 13.227 -3.265 -8.321 1.00 0.00 O ATOM 818 CB THR A 53 16.624 -3.010 -7.911 1.00 0.00 C ATOM 819 OG1 THR A 53 16.053 -3.245 -6.630 1.00 0.00 O ATOM 820 CG2 THR A 53 17.502 -1.757 -7.849 1.00 0.00 C ATOM 0 H THR A 53 14.878 -1.034 -8.035 1.00 0.00 H new ATOM 0 HA THR A 53 15.891 -3.073 -9.945 1.00 0.00 H new ATOM 0 HB THR A 53 17.233 -3.866 -8.201 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.768 -3.367 -5.971 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.289 -1.900 -7.108 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.951 -1.579 -8.826 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.892 -0.899 -7.568 1.00 0.00 H new ATOM 828 N PRO A 54 14.519 -5.073 -8.685 1.00 0.00 N ATOM 829 CA PRO A 54 13.438 -6.033 -8.373 1.00 0.00 C ATOM 830 C PRO A 54 13.144 -6.101 -6.872 1.00 0.00 C ATOM 831 O PRO A 54 12.025 -6.412 -6.462 1.00 0.00 O ATOM 832 CB PRO A 54 13.993 -7.349 -8.905 1.00 0.00 C ATOM 833 CG PRO A 54 15.507 -7.203 -8.951 1.00 0.00 C ATOM 834 CD PRO A 54 15.811 -5.704 -9.040 1.00 0.00 C ATOM 0 HA PRO A 54 12.482 -5.759 -8.818 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.704 -8.179 -8.260 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.595 -7.563 -9.897 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.963 -7.637 -8.061 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.919 -7.732 -9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.604 -5.413 -8.351 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.137 -5.418 -10.040 1.00 0.00 H new ATOM 842 N GLU A 55 14.156 -5.773 -6.061 1.00 0.00 N ATOM 843 CA GLU A 55 13.990 -5.761 -4.609 1.00 0.00 C ATOM 844 C GLU A 55 13.303 -4.461 -4.186 1.00 0.00 C ATOM 845 O GLU A 55 12.490 -4.446 -3.260 1.00 0.00 O ATOM 846 CB GLU A 55 15.347 -5.868 -3.903 1.00 0.00 C ATOM 847 CG GLU A 55 15.713 -7.344 -3.709 1.00 0.00 C ATOM 848 CD GLU A 55 14.909 -7.928 -2.549 1.00 0.00 C ATOM 849 OE1 GLU A 55 15.337 -7.769 -1.417 1.00 0.00 O ATOM 850 OE2 GLU A 55 13.878 -8.525 -2.810 1.00 0.00 O ATOM 0 H GLU A 55 15.089 -5.515 -6.384 1.00 0.00 H new ATOM 0 HA GLU A 55 13.380 -6.618 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.115 -5.367 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.306 -5.363 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.508 -7.902 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.780 -7.440 -3.509 1.00 0.00 H new ATOM 857 N GLU A 56 13.635 -3.368 -4.893 1.00 0.00 N ATOM 858 CA GLU A 56 13.045 -2.060 -4.606 1.00 0.00 C ATOM 859 C GLU A 56 11.548 -2.070 -4.920 1.00 0.00 C ATOM 860 O GLU A 56 10.730 -1.676 -4.087 1.00 0.00 O ATOM 861 CB GLU A 56 13.726 -0.972 -5.443 1.00 0.00 C ATOM 862 CG GLU A 56 13.710 0.354 -4.677 1.00 0.00 C ATOM 863 CD GLU A 56 14.128 1.488 -5.610 1.00 0.00 C ATOM 864 OE1 GLU A 56 15.303 1.557 -5.940 1.00 0.00 O ATOM 865 OE2 GLU A 56 13.269 2.269 -5.981 1.00 0.00 O ATOM 0 H GLU A 56 14.305 -3.369 -5.662 1.00 0.00 H new ATOM 0 HA GLU A 56 13.191 -1.847 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.753 -1.261 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.211 -0.858 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.713 0.545 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.388 0.302 -3.825 1.00 0.00 H new ATOM 872 N LEU A 57 11.200 -2.530 -6.131 1.00 0.00 N ATOM 873 CA LEU A 57 9.795 -2.593 -6.543 1.00 0.00 C ATOM 874 C LEU A 57 9.003 -3.528 -5.625 1.00 0.00 C ATOM 875 O LEU A 57 7.835 -3.271 -5.327 1.00 0.00 O ATOM 876 CB LEU A 57 9.671 -3.071 -7.997 1.00 0.00 C ATOM 877 CG LEU A 57 9.996 -4.550 -8.253 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.742 -5.407 -8.040 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.482 -4.716 -9.696 1.00 0.00 C ATOM 0 H LEU A 57 11.864 -2.859 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 57 9.382 -1.587 -6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.652 -2.880 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.331 -2.463 -8.615 1.00 0.00 H new ATOM 0 HG LEU A 57 10.772 -4.873 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.982 -6.454 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.391 -5.289 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.961 -5.087 -8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.714 -5.764 -9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.701 -4.389 -10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.377 -4.113 -9.850 1.00 0.00 H new ATOM 891 N GLN A 58 9.652 -4.611 -5.171 1.00 0.00 N ATOM 892 CA GLN A 58 8.990 -5.566 -4.277 1.00 0.00 C ATOM 893 C GLN A 58 8.603 -4.882 -2.966 1.00 0.00 C ATOM 894 O GLN A 58 7.511 -5.101 -2.446 1.00 0.00 O ATOM 895 CB GLN A 58 9.904 -6.760 -3.972 1.00 0.00 C ATOM 896 CG GLN A 58 9.378 -8.008 -4.690 1.00 0.00 C ATOM 897 CD GLN A 58 8.023 -8.414 -4.107 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.952 -8.952 -3.002 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.933 -8.186 -4.793 1.00 0.00 N ATOM 0 H GLN A 58 10.617 -4.843 -5.404 1.00 0.00 H new ATOM 0 HA GLN A 58 8.094 -5.928 -4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.922 -6.544 -4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.943 -6.936 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.279 -7.809 -5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.090 -8.827 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.991 -7.740 -5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.025 -8.454 -4.412 1.00 0.00 H new ATOM 908 N GLU A 59 9.505 -4.039 -2.450 1.00 0.00 N ATOM 909 CA GLU A 59 9.242 -3.311 -1.204 1.00 0.00 C ATOM 910 C GLU A 59 8.008 -2.419 -1.356 1.00 0.00 C ATOM 911 O GLU A 59 7.212 -2.281 -0.424 1.00 0.00 O ATOM 912 CB GLU A 59 10.442 -2.438 -0.818 1.00 0.00 C ATOM 913 CG GLU A 59 11.550 -3.311 -0.218 1.00 0.00 C ATOM 914 CD GLU A 59 11.138 -3.781 1.176 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.309 -3.019 2.114 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.658 -4.898 1.285 1.00 0.00 O ATOM 0 H GLU A 59 10.414 -3.846 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 59 9.067 -4.048 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.817 -1.911 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.135 -1.679 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.737 -4.171 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.481 -2.746 -0.162 1.00 0.00 H new ATOM 923 N MET A 60 7.850 -1.826 -2.546 1.00 0.00 N ATOM 924 CA MET A 60 6.700 -0.960 -2.819 1.00 0.00 C ATOM 925 C MET A 60 5.418 -1.785 -2.830 1.00 0.00 C ATOM 926 O MET A 60 4.386 -1.364 -2.307 1.00 0.00 O ATOM 927 CB MET A 60 6.847 -0.259 -4.176 1.00 0.00 C ATOM 928 CG MET A 60 8.183 0.485 -4.234 1.00 0.00 C ATOM 929 SD MET A 60 8.088 1.809 -5.466 1.00 0.00 S ATOM 930 CE MET A 60 7.582 3.133 -4.340 1.00 0.00 C ATOM 0 H MET A 60 8.498 -1.929 -3.327 1.00 0.00 H new ATOM 0 HA MET A 60 6.656 -0.207 -2.032 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.793 -0.991 -4.982 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.024 0.440 -4.325 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.422 0.902 -3.255 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.985 -0.207 -4.490 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.463 4.061 -4.900 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.635 2.868 -3.870 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.343 3.268 -3.572 1.00 0.00 H new ATOM 940 N ILE A 61 5.508 -2.974 -3.430 1.00 0.00 N ATOM 941 CA ILE A 61 4.364 -3.884 -3.513 1.00 0.00 C ATOM 942 C ILE A 61 3.981 -4.384 -2.121 1.00 0.00 C ATOM 943 O ILE A 61 2.815 -4.346 -1.739 1.00 0.00 O ATOM 944 CB ILE A 61 4.696 -5.083 -4.413 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.937 -4.590 -5.844 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.530 -6.077 -4.408 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.870 -5.557 -6.574 1.00 0.00 C ATOM 0 H ILE A 61 6.360 -3.329 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 61 3.524 -3.337 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 61 5.591 -5.578 -4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.989 -4.513 -6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.374 -3.592 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.772 -6.925 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.356 -6.428 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.631 -5.586 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.038 -5.202 -7.591 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.822 -5.612 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.415 -6.547 -6.606 1.00 0.00 H new ATOM 959 N ASP A 62 4.979 -4.851 -1.367 1.00 0.00 N ATOM 960 CA ASP A 62 4.741 -5.357 -0.011 1.00 0.00 C ATOM 961 C ASP A 62 4.050 -4.302 0.867 1.00 0.00 C ATOM 962 O ASP A 62 3.296 -4.643 1.780 1.00 0.00 O ATOM 963 CB ASP A 62 6.066 -5.762 0.651 1.00 0.00 C ATOM 964 CG ASP A 62 6.496 -7.142 0.154 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.832 -8.108 0.494 1.00 0.00 O ATOM 966 OD2 ASP A 62 7.485 -7.212 -0.556 1.00 0.00 O ATOM 0 H ASP A 62 5.953 -4.890 -1.668 1.00 0.00 H new ATOM 0 HA ASP A 62 4.089 -6.226 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.837 -5.027 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.952 -5.776 1.735 1.00 0.00 H new ATOM 971 N GLU A 63 4.321 -3.022 0.586 1.00 0.00 N ATOM 972 CA GLU A 63 3.728 -1.929 1.363 1.00 0.00 C ATOM 973 C GLU A 63 2.330 -1.557 0.850 1.00 0.00 C ATOM 974 O GLU A 63 1.408 -1.352 1.642 1.00 0.00 O ATOM 975 CB GLU A 63 4.623 -0.685 1.303 1.00 0.00 C ATOM 976 CG GLU A 63 5.868 -0.901 2.172 1.00 0.00 C ATOM 977 CD GLU A 63 5.577 -0.466 3.607 1.00 0.00 C ATOM 978 OE1 GLU A 63 5.754 0.707 3.898 1.00 0.00 O ATOM 979 OE2 GLU A 63 5.183 -1.312 4.393 1.00 0.00 O ATOM 0 H GLU A 63 4.941 -2.720 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 63 3.640 -2.280 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.917 -0.486 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.072 0.188 1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.159 -1.951 2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.706 -0.330 1.772 1.00 0.00 H new ATOM 986 N VAL A 64 2.185 -1.453 -0.478 1.00 0.00 N ATOM 987 CA VAL A 64 0.893 -1.080 -1.076 1.00 0.00 C ATOM 988 C VAL A 64 -0.120 -2.230 -1.003 1.00 0.00 C ATOM 989 O VAL A 64 -1.300 -2.006 -0.720 1.00 0.00 O ATOM 990 CB VAL A 64 1.076 -0.643 -2.540 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.574 -1.817 -3.388 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.263 -0.149 -3.097 1.00 0.00 C ATOM 0 H VAL A 64 2.933 -1.619 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 64 0.501 -0.244 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 64 1.812 0.160 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.699 -1.493 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.531 -2.167 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.848 -2.629 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.134 0.161 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.997 -0.953 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.613 0.698 -2.506 1.00 0.00 H new ATOM 1002 N ASP A 65 0.344 -3.458 -1.263 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.535 -4.625 -1.224 1.00 0.00 C ATOM 1004 C ASP A 65 -1.005 -4.876 0.208 1.00 0.00 C ATOM 1005 O ASP A 65 -0.218 -5.244 1.082 1.00 0.00 O ATOM 1006 CB ASP A 65 0.194 -5.869 -1.750 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.663 -6.568 -2.803 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.470 -7.400 -2.427 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.497 -6.259 -3.972 1.00 0.00 O ATOM 0 H ASP A 65 1.314 -3.665 -1.500 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.397 -4.427 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.154 -5.584 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.404 -6.553 -0.928 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.303 -4.659 0.431 1.00 0.00 N ATOM 1015 CA GLU A 66 -2.896 -4.850 1.761 1.00 0.00 C ATOM 1016 C GLU A 66 -2.814 -6.316 2.179 1.00 0.00 C ATOM 1017 O GLU A 66 -2.442 -6.633 3.310 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.371 -4.420 1.765 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.506 -3.003 1.198 1.00 0.00 C ATOM 1020 CD GLU A 66 -4.506 -1.987 2.337 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -3.429 -1.591 2.752 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -5.585 -1.620 2.777 1.00 0.00 O ATOM 0 H GLU A 66 -2.962 -4.353 -0.285 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.334 -4.235 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.963 -5.116 1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.765 -4.453 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.683 -2.796 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.428 -2.918 0.623 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.171 -7.201 1.248 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.146 -8.644 1.511 1.00 0.00 C ATOM 1031 C ASP A 67 -1.756 -9.231 1.251 1.00 0.00 C ATOM 1032 O ASP A 67 -1.303 -10.116 1.981 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.179 -9.385 0.641 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.159 -8.850 -0.793 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.811 -7.848 -1.042 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.492 -9.448 -1.617 1.00 0.00 O ATOM 0 H ASP A 67 -3.480 -6.948 0.309 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.399 -8.781 2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.962 -10.453 0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.175 -9.263 1.066 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.089 -8.744 0.200 1.00 0.00 N ATOM 1042 CA GLY A 68 0.242 -9.242 -0.149 1.00 0.00 C ATOM 1043 C GLY A 68 0.138 -10.647 -0.735 1.00 0.00 C ATOM 1044 O GLY A 68 0.834 -11.569 -0.305 1.00 0.00 O ATOM 0 H GLY A 68 -1.445 -8.014 -0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.712 -8.573 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.878 -9.255 0.736 1.00 0.00 H new ATOM 1048 N SER A 69 -0.759 -10.794 -1.715 1.00 0.00 N ATOM 1049 CA SER A 69 -0.985 -12.091 -2.363 1.00 0.00 C ATOM 1050 C SER A 69 -0.053 -12.312 -3.567 1.00 0.00 C ATOM 1051 O SER A 69 -0.250 -13.256 -4.336 1.00 0.00 O ATOM 1052 CB SER A 69 -2.437 -12.187 -2.841 1.00 0.00 C ATOM 1053 OG SER A 69 -2.722 -11.098 -3.719 1.00 0.00 O ATOM 0 H SER A 69 -1.338 -10.036 -2.076 1.00 0.00 H new ATOM 0 HA SER A 69 -0.771 -12.861 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.600 -13.134 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.114 -12.167 -1.987 1.00 0.00 H new ATOM 0 HG SER A 69 -3.037 -10.331 -3.197 1.00 0.00 H new ATOM 1059 N GLY A 70 0.949 -11.440 -3.740 1.00 0.00 N ATOM 1060 CA GLY A 70 1.869 -11.567 -4.868 1.00 0.00 C ATOM 1061 C GLY A 70 1.189 -11.140 -6.172 1.00 0.00 C ATOM 1062 O GLY A 70 1.637 -11.500 -7.263 1.00 0.00 O ATOM 0 H GLY A 70 1.138 -10.652 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.752 -10.952 -4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.210 -12.599 -4.951 1.00 0.00 H new ATOM 1066 N THR A 71 0.103 -10.365 -6.044 1.00 0.00 N ATOM 1067 CA THR A 71 -0.638 -9.889 -7.209 1.00 0.00 C ATOM 1068 C THR A 71 -1.189 -8.491 -6.939 1.00 0.00 C ATOM 1069 O THR A 71 -1.766 -8.233 -5.879 1.00 0.00 O ATOM 1070 CB THR A 71 -1.805 -10.833 -7.547 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.808 -10.731 -6.543 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.301 -12.276 -7.613 1.00 0.00 C ATOM 0 H THR A 71 -0.276 -10.058 -5.148 1.00 0.00 H new ATOM 0 HA THR A 71 0.048 -9.862 -8.055 1.00 0.00 H new ATOM 0 HB THR A 71 -2.224 -10.551 -8.513 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.415 -10.929 -5.667 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.131 -12.941 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.535 -12.359 -8.384 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.877 -12.558 -6.649 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.006 -7.592 -7.905 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.490 -6.222 -7.755 1.00 0.00 C ATOM 1082 C VAL A 72 -2.784 -6.027 -8.535 1.00 0.00 C ATOM 1083 O VAL A 72 -2.806 -6.124 -9.761 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.465 -5.204 -8.267 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.820 -3.813 -7.735 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.939 -5.581 -7.790 1.00 0.00 C ATOM 0 H VAL A 72 -0.533 -7.784 -8.788 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.659 -6.059 -6.691 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.484 -5.202 -9.357 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.092 -3.088 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.815 -3.534 -8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.807 -3.826 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.658 -4.850 -8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.962 -5.593 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.199 -6.569 -8.169 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.853 -5.716 -7.809 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.147 -5.467 -8.440 1.00 0.00 C ATOM 1098 C ASP A 73 -5.155 -4.042 -8.977 1.00 0.00 C ATOM 1099 O ASP A 73 -4.303 -3.238 -8.604 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.287 -5.628 -7.426 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.376 -7.083 -6.969 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.657 -7.442 -6.050 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.165 -7.816 -7.543 1.00 0.00 O ATOM 0 H ASP A 73 -3.851 -5.631 -6.793 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.297 -6.186 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.116 -4.978 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.231 -5.321 -7.876 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.110 -3.721 -9.852 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.173 -2.366 -10.403 1.00 0.00 C ATOM 1110 C PHE A 74 -6.307 -1.338 -9.277 1.00 0.00 C ATOM 1111 O PHE A 74 -5.769 -0.233 -9.367 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.339 -2.207 -11.381 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.143 -0.946 -12.185 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -5.899 -0.680 -12.768 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.197 -0.043 -12.340 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.710 0.487 -13.507 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.009 1.127 -13.082 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.765 1.394 -13.664 1.00 0.00 C ATOM 0 H PHE A 74 -6.831 -4.360 -10.187 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.245 -2.193 -10.947 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.394 -3.070 -12.044 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.282 -2.163 -10.837 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.085 -1.379 -12.645 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.156 -0.248 -11.887 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.750 0.691 -13.958 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.824 1.825 -13.206 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.619 2.299 -14.234 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.009 -1.725 -8.206 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.181 -0.841 -7.056 1.00 0.00 C ATOM 1130 C ASP A 75 -5.832 -0.617 -6.370 1.00 0.00 C ATOM 1131 O ASP A 75 -5.478 0.511 -6.031 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.166 -1.445 -6.049 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.786 -0.333 -5.208 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -8.176 0.048 -4.221 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.861 0.121 -5.563 1.00 0.00 O ATOM 0 H ASP A 75 -7.461 -2.635 -8.115 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.579 0.110 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.947 -1.996 -6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.651 -2.158 -5.405 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.078 -1.711 -6.191 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.752 -1.635 -5.564 1.00 0.00 C ATOM 1142 C GLU A 76 -2.757 -0.941 -6.505 1.00 0.00 C ATOM 1143 O GLU A 76 -1.814 -0.285 -6.059 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.224 -3.041 -5.231 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.254 -3.803 -4.383 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.725 -5.198 -4.043 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.333 -5.906 -4.956 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.724 -5.542 -2.873 1.00 0.00 O ATOM 0 H GLU A 76 -5.361 -2.651 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.851 -1.060 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.021 -3.589 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.280 -2.965 -4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.462 -3.251 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.195 -3.885 -4.927 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.991 -1.100 -7.814 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.133 -0.501 -8.841 1.00 0.00 C ATOM 1157 C PHE A 77 -2.196 1.027 -8.774 1.00 0.00 C ATOM 1158 O PHE A 77 -1.165 1.700 -8.696 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.600 -0.968 -10.231 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.437 -1.177 -11.182 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.122 -1.343 -10.711 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.691 -1.212 -12.557 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.924 -1.540 -11.618 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.643 -1.412 -13.460 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.663 -1.575 -12.992 1.00 0.00 C ATOM 0 H PHE A 77 -3.771 -1.641 -8.187 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.105 -0.817 -8.665 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.159 -1.899 -10.132 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.283 -0.230 -10.651 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.080 -1.318 -9.650 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.699 -1.084 -12.922 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.934 -1.665 -11.257 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.843 -1.441 -14.521 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.472 -1.728 -13.691 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.421 1.563 -8.803 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.624 3.014 -8.740 1.00 0.00 C ATOM 1177 C LEU A 78 -3.350 3.541 -7.329 1.00 0.00 C ATOM 1178 O LEU A 78 -2.947 4.694 -7.154 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.062 3.372 -9.141 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.288 3.598 -10.643 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.650 2.460 -11.442 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.791 3.639 -10.931 1.00 0.00 C ATOM 0 H LEU A 78 -4.281 1.018 -8.869 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.926 3.479 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.724 2.573 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.357 4.275 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.831 4.543 -10.936 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.814 2.626 -12.507 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.579 2.429 -11.240 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.102 1.512 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.953 3.799 -11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.244 2.694 -10.633 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.247 4.453 -10.368 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.561 2.680 -6.325 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.323 3.056 -4.931 1.00 0.00 C ATOM 1196 C VAL A 79 -1.843 3.403 -4.736 1.00 0.00 C ATOM 1197 O VAL A 79 -1.509 4.398 -4.099 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.740 1.906 -3.992 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.808 1.830 -2.780 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.174 2.141 -3.508 1.00 0.00 C ATOM 0 H VAL A 79 -3.894 1.725 -6.454 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.924 3.932 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.677 0.968 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.121 1.012 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.786 1.656 -3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.852 2.769 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.471 1.329 -2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.226 3.088 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.847 2.173 -4.365 1.00 0.00 H new ATOM 1210 N MET A 80 -0.969 2.566 -5.307 1.00 0.00 N ATOM 1211 CA MET A 80 0.482 2.776 -5.221 1.00 0.00 C ATOM 1212 C MET A 80 0.860 4.229 -5.536 1.00 0.00 C ATOM 1213 O MET A 80 1.823 4.761 -4.979 1.00 0.00 O ATOM 1214 CB MET A 80 1.205 1.856 -6.211 1.00 0.00 C ATOM 1215 CG MET A 80 2.346 1.130 -5.499 1.00 0.00 C ATOM 1216 SD MET A 80 2.934 -0.234 -6.538 1.00 0.00 S ATOM 1217 CE MET A 80 3.674 0.772 -7.848 1.00 0.00 C ATOM 0 H MET A 80 -1.241 1.736 -5.834 1.00 0.00 H new ATOM 0 HA MET A 80 0.785 2.547 -4.199 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.505 1.132 -6.628 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.596 2.439 -7.045 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.162 1.824 -5.295 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.004 0.748 -4.537 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.380 0.167 -8.417 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.891 1.137 -8.513 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.197 1.619 -7.405 1.00 0.00 H new ATOM 1227 N MET A 81 0.093 4.866 -6.433 1.00 0.00 N ATOM 1228 CA MET A 81 0.362 6.258 -6.810 1.00 0.00 C ATOM 1229 C MET A 81 0.114 7.197 -5.624 1.00 0.00 C ATOM 1230 O MET A 81 0.998 7.960 -5.228 1.00 0.00 O ATOM 1231 CB MET A 81 -0.529 6.680 -7.986 1.00 0.00 C ATOM 1232 CG MET A 81 -0.068 8.040 -8.523 1.00 0.00 C ATOM 1233 SD MET A 81 0.046 7.973 -10.329 1.00 0.00 S ATOM 1234 CE MET A 81 1.660 7.158 -10.429 1.00 0.00 C ATOM 0 H MET A 81 -0.708 4.445 -6.904 1.00 0.00 H new ATOM 0 HA MET A 81 1.408 6.327 -7.109 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.482 5.931 -8.777 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.569 6.739 -7.664 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.769 8.818 -8.221 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.901 8.301 -8.097 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.875 6.904 -11.467 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.431 7.830 -10.053 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.646 6.249 -9.828 1.00 0.00 H new ATOM 1244 N VAL A 82 -1.097 7.129 -5.061 1.00 0.00 N ATOM 1245 CA VAL A 82 -1.456 7.975 -3.913 1.00 0.00 C ATOM 1246 C VAL A 82 -0.659 7.579 -2.664 1.00 0.00 C ATOM 1247 O VAL A 82 -0.401 8.411 -1.793 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.958 7.885 -3.603 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.758 8.482 -4.763 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -3.374 6.423 -3.401 1.00 0.00 C ATOM 0 H VAL A 82 -1.840 6.505 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.210 9.002 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.161 8.442 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.823 8.417 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.478 9.527 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.543 7.928 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.441 6.375 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.164 5.856 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.813 5.997 -2.569 1.00 0.00 H new ATOM 1260 N ARG A 83 -0.270 6.300 -2.593 1.00 0.00 N ATOM 1261 CA ARG A 83 0.507 5.791 -1.455 1.00 0.00 C ATOM 1262 C ARG A 83 1.807 6.583 -1.276 1.00 0.00 C ATOM 1263 O ARG A 83 2.331 6.683 -0.166 1.00 0.00 O ATOM 1264 CB ARG A 83 0.853 4.312 -1.657 1.00 0.00 C ATOM 1265 CG ARG A 83 -0.384 3.451 -1.385 1.00 0.00 C ATOM 1266 CD ARG A 83 -0.380 2.994 0.077 1.00 0.00 C ATOM 1267 NE ARG A 83 -1.705 2.506 0.471 1.00 0.00 N ATOM 1268 CZ ARG A 83 -1.887 1.775 1.579 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -0.874 1.472 2.359 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -3.088 1.357 1.887 1.00 0.00 N ATOM 0 H ARG A 83 -0.479 5.601 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.109 5.906 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.206 4.147 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.663 4.023 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.289 4.020 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.390 2.585 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.359 2.205 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.086 3.822 0.721 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.510 2.729 -0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.065 1.794 2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.026 0.915 3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.878 1.588 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.234 0.800 2.729 1.00 0.00 H new