USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 642 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 55 CYS SG : rot -17:sc= 0.237 USER MOD Set 1.2: A 73 HIS :FLIP no HD1:sc= -2.68! F(o=-3.6,f=-2.4!) USER MOD Set 2.1: A 33 HIS : no HE2:sc= -2.21! C(o=-2.3!,f=-13!) USER MOD Set 2.2: A 51 SER OG : rot 83:sc= -0.118 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0359 X(o=-0.036,f=-0.27) USER MOD Single : A 19 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= -0.439 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.0219 X(o=0.022,f=-0.095) USER MOD Single : A 35 HIS : no HD1:sc= -2.06! C(o=-2.1!,f=-3.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.8!) USER MOD Single : A 47 GLN : amide:sc=-0.000987 K(o=-0.00099,f=-0.92) USER MOD Single : A 48 GLN : amide:sc= -0.0543 K(o=-0.054,f=-1.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.641 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -3.01! C(o=-4.3!,f=-3!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -83:sc= -0.707 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= -0.018 (180deg=-0.018) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -130:sc= -3.16! (180deg=-5.87!) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.0805 F(o=-0.59,f=-0.081) USER MOD Single : A 98 SER OG : rot -68:sc= 1.14 USER MOD Single : A 100 SER OG : rot 38:sc= 0.634 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -3.580 -10.693 6.997 1.00 0.00 N ATOM 137 CA TYR A 13 -2.879 -11.356 5.904 1.00 0.00 C ATOM 138 C TYR A 13 -3.536 -11.039 4.564 1.00 0.00 C ATOM 139 O TYR A 13 -4.571 -11.610 4.215 1.00 0.00 O ATOM 140 CB TYR A 13 -2.858 -12.869 6.128 1.00 0.00 C ATOM 141 CG TYR A 13 -2.607 -13.265 7.566 1.00 0.00 C ATOM 142 CD1 TYR A 13 -1.453 -12.863 8.226 1.00 0.00 C ATOM 143 CD2 TYR A 13 -3.525 -14.041 8.263 1.00 0.00 C ATOM 144 CE1 TYR A 13 -1.220 -13.223 9.540 1.00 0.00 C ATOM 145 CE2 TYR A 13 -3.300 -14.404 9.577 1.00 0.00 C ATOM 146 CZ TYR A 13 -2.146 -13.993 10.211 1.00 0.00 C ATOM 147 OH TYR A 13 -1.919 -14.353 11.519 1.00 0.00 O ATOM 0 HA TYR A 13 -1.855 -10.983 5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.811 -13.289 5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.086 -13.310 5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.726 -12.259 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.429 -14.366 7.770 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.317 -12.903 10.039 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.024 -15.007 10.105 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.669 -14.894 11.844 1.00 0.00 H new ATOM 157 N LEU A 14 -2.928 -10.125 3.816 1.00 0.00 N ATOM 158 CA LEU A 14 -3.451 -9.730 2.513 1.00 0.00 C ATOM 159 C LEU A 14 -2.618 -10.332 1.386 1.00 0.00 C ATOM 160 O LEU A 14 -1.458 -10.691 1.583 1.00 0.00 O ATOM 161 CB LEU A 14 -3.471 -8.206 2.390 1.00 0.00 C ATOM 162 CG LEU A 14 -4.645 -7.493 3.061 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.531 -5.988 2.880 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.967 -8.001 2.503 1.00 0.00 C ATOM 0 H LEU A 14 -2.072 -9.643 4.090 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.470 -10.108 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.545 -7.815 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.472 -7.947 1.331 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.616 -7.712 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.376 -5.498 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.602 -5.637 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.534 -5.748 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.792 -7.482 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.005 -7.813 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.052 -9.072 2.687 1.00 0.00 H new ATOM 176 N ASN A 15 -3.217 -10.437 0.205 1.00 0.00 N ATOM 177 CA ASN A 15 -2.529 -10.993 -0.955 1.00 0.00 C ATOM 178 C ASN A 15 -1.896 -9.888 -1.794 1.00 0.00 C ATOM 179 O ASN A 15 -2.594 -9.121 -2.457 1.00 0.00 O ATOM 180 CB ASN A 15 -3.504 -11.805 -1.811 1.00 0.00 C ATOM 181 CG ASN A 15 -3.563 -13.262 -1.395 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.532 -13.913 -1.225 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.774 -13.781 -1.229 1.00 0.00 N ATOM 0 H ASN A 15 -4.178 -10.144 0.025 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.737 -11.650 -0.596 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.500 -11.368 -1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.205 -11.740 -2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.877 -14.757 -0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.601 -13.204 -1.381 1.00 0.00 H new ATOM 190 N VAL A 16 -0.570 -9.813 -1.761 1.00 0.00 N ATOM 191 CA VAL A 16 0.158 -8.803 -2.520 1.00 0.00 C ATOM 192 C VAL A 16 0.602 -9.347 -3.874 1.00 0.00 C ATOM 193 O VAL A 16 1.456 -10.231 -3.950 1.00 0.00 O ATOM 194 CB VAL A 16 1.395 -8.305 -1.749 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.147 -7.262 -2.562 1.00 0.00 C ATOM 196 CG2 VAL A 16 0.987 -7.744 -0.395 1.00 0.00 C ATOM 0 H VAL A 16 0.023 -10.440 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.526 -7.968 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 16 2.062 -9.150 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.018 -6.922 -2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.472 -7.701 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.491 -6.415 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.873 -7.397 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.300 -6.910 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.496 -8.523 0.188 1.00 0.00 H new ATOM 206 N LEU A 17 0.018 -8.812 -4.940 1.00 0.00 N ATOM 207 CA LEU A 17 0.353 -9.243 -6.293 1.00 0.00 C ATOM 208 C LEU A 17 1.837 -9.036 -6.578 1.00 0.00 C ATOM 209 O LEU A 17 2.384 -7.962 -6.329 1.00 0.00 O ATOM 210 CB LEU A 17 -0.486 -8.477 -7.316 1.00 0.00 C ATOM 211 CG LEU A 17 -0.390 -8.963 -8.763 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.006 -10.346 -8.903 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.068 -7.977 -9.703 1.00 0.00 C ATOM 0 H LEU A 17 -0.690 -8.079 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 17 0.131 -10.307 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.530 -8.523 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.191 -7.428 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 17 0.663 -9.028 -9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.929 -10.676 -9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.476 -11.047 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.056 -10.308 -8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.990 -8.339 -10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.119 -7.880 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.581 -7.005 -9.623 1.00 0.00 H new ATOM 225 N VAL A 18 2.484 -10.072 -7.103 1.00 0.00 N ATOM 226 CA VAL A 18 3.904 -10.003 -7.426 1.00 0.00 C ATOM 227 C VAL A 18 4.214 -10.770 -8.707 1.00 0.00 C ATOM 228 O VAL A 18 3.916 -11.959 -8.818 1.00 0.00 O ATOM 229 CB VAL A 18 4.767 -10.566 -6.281 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.237 -10.568 -6.673 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.548 -9.767 -5.006 1.00 0.00 C ATOM 0 H VAL A 18 2.047 -10.969 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 18 4.146 -8.950 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 18 4.464 -11.596 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.832 -10.969 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.377 -11.188 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.557 -9.549 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.166 -10.179 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.823 -8.726 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.498 -9.822 -4.718 1.00 0.00 H new ATOM 241 N ASN A 19 4.816 -10.082 -9.671 1.00 0.00 N ATOM 242 CA ASN A 19 5.168 -10.698 -10.945 1.00 0.00 C ATOM 243 C ASN A 19 3.990 -11.486 -11.511 1.00 0.00 C ATOM 244 O ASN A 19 4.147 -12.625 -11.952 1.00 0.00 O ATOM 245 CB ASN A 19 6.377 -11.620 -10.773 1.00 0.00 C ATOM 246 CG ASN A 19 7.691 -10.896 -10.991 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.712 -9.727 -11.378 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.797 -11.589 -10.743 1.00 0.00 N ATOM 0 H ASN A 19 5.070 -9.097 -9.594 1.00 0.00 H new ATOM 0 HA ASN A 19 5.423 -9.904 -11.647 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.364 -12.049 -9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.301 -12.449 -11.476 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.711 -11.154 -10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.732 -12.556 -10.424 1.00 0.00 H new ATOM 255 N SER A 20 2.812 -10.871 -11.497 1.00 0.00 N ATOM 256 CA SER A 20 1.607 -11.515 -12.006 1.00 0.00 C ATOM 257 C SER A 20 1.308 -12.796 -11.233 1.00 0.00 C ATOM 258 O SER A 20 0.898 -13.801 -11.813 1.00 0.00 O ATOM 259 CB SER A 20 1.761 -11.829 -13.495 1.00 0.00 C ATOM 260 OG SER A 20 2.014 -10.650 -14.241 1.00 0.00 O ATOM 0 H SER A 20 2.666 -9.927 -11.139 1.00 0.00 H new ATOM 0 HA SER A 20 0.773 -10.827 -11.872 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.578 -12.536 -13.638 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.855 -12.310 -13.864 1.00 0.00 H new ATOM 0 HG SER A 20 2.110 -10.877 -15.189 1.00 0.00 H new ATOM 266 N GLN A 21 1.518 -12.751 -9.921 1.00 0.00 N ATOM 267 CA GLN A 21 1.272 -13.908 -9.069 1.00 0.00 C ATOM 268 C GLN A 21 0.809 -13.474 -7.682 1.00 0.00 C ATOM 269 O GLN A 21 1.398 -12.582 -7.071 1.00 0.00 O ATOM 270 CB GLN A 21 2.537 -14.761 -8.953 1.00 0.00 C ATOM 271 CG GLN A 21 2.718 -15.738 -10.104 1.00 0.00 C ATOM 272 CD GLN A 21 2.078 -17.085 -9.832 1.00 0.00 C ATOM 273 OE1 GLN A 21 1.472 -17.297 -8.782 1.00 0.00 O ATOM 274 NE2 GLN A 21 2.209 -18.005 -10.781 1.00 0.00 N ATOM 0 H GLN A 21 1.858 -11.926 -9.426 1.00 0.00 H new ATOM 0 HA GLN A 21 0.482 -14.503 -9.527 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.405 -14.104 -8.905 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.506 -15.317 -8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.286 -15.311 -11.009 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.782 -15.877 -10.293 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.720 -17.786 -11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.799 -18.930 -10.654 1.00 0.00 H new ATOM 283 N TRP A 22 -0.249 -14.110 -7.191 1.00 0.00 N ATOM 284 CA TRP A 22 -0.791 -13.788 -5.876 1.00 0.00 C ATOM 285 C TRP A 22 -0.119 -14.623 -4.791 1.00 0.00 C ATOM 286 O TRP A 22 -0.419 -15.806 -4.628 1.00 0.00 O ATOM 287 CB TRP A 22 -2.302 -14.022 -5.854 1.00 0.00 C ATOM 288 CG TRP A 22 -3.053 -13.146 -6.810 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.528 -13.496 -8.042 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.414 -11.775 -6.614 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.162 -12.424 -8.623 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.106 -11.357 -7.767 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.222 -10.860 -5.575 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.604 -10.064 -7.908 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.716 -9.577 -5.717 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.401 -9.189 -6.876 1.00 0.00 C ATOM 0 H TRP A 22 -0.748 -14.851 -7.683 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.590 -12.736 -5.675 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.504 -15.066 -6.094 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.675 -13.849 -4.844 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.421 -14.471 -8.493 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.603 -12.423 -9.543 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.697 -11.150 -4.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.132 -9.763 -8.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.572 -8.861 -4.921 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.776 -8.179 -6.956 1.00 0.00 H new ATOM 307 N LYS A 23 0.792 -14.000 -4.051 1.00 0.00 N ATOM 308 CA LYS A 23 1.506 -14.685 -2.980 1.00 0.00 C ATOM 309 C LYS A 23 1.228 -14.026 -1.633 1.00 0.00 C ATOM 310 O LYS A 23 1.397 -12.817 -1.475 1.00 0.00 O ATOM 311 CB LYS A 23 3.011 -14.682 -3.260 1.00 0.00 C ATOM 312 CG LYS A 23 3.566 -13.307 -3.588 1.00 0.00 C ATOM 313 CD LYS A 23 5.084 -13.287 -3.519 1.00 0.00 C ATOM 314 CE LYS A 23 5.707 -13.867 -4.779 1.00 0.00 C ATOM 315 NZ LYS A 23 7.191 -13.745 -4.771 1.00 0.00 N ATOM 0 H LYS A 23 1.053 -13.022 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 23 1.151 -15.715 -2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.535 -15.078 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.219 -15.356 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.242 -13.012 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.160 -12.574 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.429 -12.263 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.417 -13.857 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.429 -14.917 -4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.305 -13.353 -5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.577 -14.152 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.456 -12.741 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.577 -14.257 -3.952 1.00 0.00 H new ATOM 329 N SER A 24 0.801 -14.830 -0.663 1.00 0.00 N ATOM 330 CA SER A 24 0.497 -14.324 0.670 1.00 0.00 C ATOM 331 C SER A 24 1.635 -13.453 1.193 1.00 0.00 C ATOM 332 O SER A 24 2.798 -13.859 1.183 1.00 0.00 O ATOM 333 CB SER A 24 0.245 -15.485 1.634 1.00 0.00 C ATOM 334 OG SER A 24 -0.983 -16.131 1.343 1.00 0.00 O ATOM 0 H SER A 24 0.658 -15.834 -0.776 1.00 0.00 H new ATOM 0 HA SER A 24 -0.404 -13.714 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.062 -16.203 1.566 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.231 -15.115 2.659 1.00 0.00 H new ATOM 0 HG SER A 24 -1.121 -16.870 1.971 1.00 0.00 H new ATOM 340 N ARG A 25 1.292 -12.253 1.650 1.00 0.00 N ATOM 341 CA ARG A 25 2.284 -11.323 2.176 1.00 0.00 C ATOM 342 C ARG A 25 1.688 -10.465 3.289 1.00 0.00 C ATOM 343 O ARG A 25 0.492 -10.175 3.290 1.00 0.00 O ATOM 344 CB ARG A 25 2.817 -10.426 1.057 1.00 0.00 C ATOM 345 CG ARG A 25 3.576 -9.210 1.561 1.00 0.00 C ATOM 346 CD ARG A 25 4.961 -9.585 2.063 1.00 0.00 C ATOM 347 NE ARG A 25 5.894 -9.828 0.966 1.00 0.00 N ATOM 348 CZ ARG A 25 6.098 -11.024 0.425 1.00 0.00 C ATOM 349 NH1 ARG A 25 5.438 -12.081 0.879 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.963 -11.165 -0.571 1.00 0.00 N ATOM 0 H ARG A 25 0.334 -11.902 1.667 1.00 0.00 H new ATOM 0 HA ARG A 25 3.108 -11.905 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.473 -11.013 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.982 -10.093 0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.665 -8.477 0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.013 -8.736 2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.346 -8.785 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.892 -10.478 2.684 1.00 0.00 H new ATOM 0 HE ARG A 25 6.418 -9.036 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.772 -11.976 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.596 -12.999 0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.473 -10.354 -0.922 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.118 -12.084 -0.985 1.00 0.00 H new ATOM 364 N TRP A 26 2.530 -10.064 4.234 1.00 0.00 N ATOM 365 CA TRP A 26 2.087 -9.241 5.353 1.00 0.00 C ATOM 366 C TRP A 26 2.094 -7.763 4.978 1.00 0.00 C ATOM 367 O TRP A 26 3.050 -7.270 4.377 1.00 0.00 O ATOM 368 CB TRP A 26 2.982 -9.474 6.571 1.00 0.00 C ATOM 369 CG TRP A 26 2.368 -9.011 7.858 1.00 0.00 C ATOM 370 CD1 TRP A 26 2.044 -7.728 8.196 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.007 -9.827 8.977 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.503 -7.697 9.458 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.468 -8.972 9.959 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.084 -11.196 9.246 1.00 0.00 C ATOM 375 CZ2 TRP A 26 1.012 -9.443 11.187 1.00 0.00 C ATOM 376 CZ3 TRP A 26 1.631 -11.662 10.465 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.099 -10.788 11.423 1.00 0.00 C ATOM 0 H TRP A 26 3.523 -10.295 4.248 1.00 0.00 H new ATOM 0 HA TRP A 26 1.066 -9.530 5.601 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.210 -10.537 6.647 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.929 -8.955 6.421 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.192 -6.865 7.564 1.00 0.00 H new ATOM 0 HE1 TRP A 26 1.180 -6.860 9.944 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.491 -11.878 8.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.604 -8.771 11.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.688 -12.718 10.684 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.751 -11.184 12.366 1.00 0.00 H new ATOM 388 N CYS A 27 1.024 -7.061 5.335 1.00 0.00 N ATOM 389 CA CYS A 27 0.908 -5.639 5.035 1.00 0.00 C ATOM 390 C CYS A 27 0.613 -4.838 6.299 1.00 0.00 C ATOM 391 O CYS A 27 -0.316 -5.153 7.043 1.00 0.00 O ATOM 392 CB CYS A 27 -0.193 -5.404 4.000 1.00 0.00 C ATOM 393 SG CYS A 27 0.124 -6.175 2.396 1.00 0.00 S ATOM 0 H CYS A 27 0.225 -7.454 5.832 1.00 0.00 H new ATOM 0 HA CYS A 27 1.860 -5.300 4.627 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.135 -5.785 4.394 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.319 -4.331 3.857 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.864 -5.922 1.590 1.00 0.00 H new ATOM 399 N SER A 28 1.413 -3.803 6.538 1.00 0.00 N ATOM 400 CA SER A 28 1.242 -2.961 7.715 1.00 0.00 C ATOM 401 C SER A 28 1.184 -1.487 7.325 1.00 0.00 C ATOM 402 O SER A 28 2.121 -0.953 6.730 1.00 0.00 O ATOM 403 CB SER A 28 2.384 -3.194 8.706 1.00 0.00 C ATOM 404 OG SER A 28 2.087 -2.627 9.970 1.00 0.00 O ATOM 0 H SER A 28 2.186 -3.528 5.932 1.00 0.00 H new ATOM 0 HA SER A 28 0.299 -3.231 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.561 -4.264 8.817 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.303 -2.758 8.315 1.00 0.00 H new ATOM 0 HG SER A 28 2.832 -2.791 10.585 1.00 0.00 H new ATOM 410 N VAL A 29 0.077 -0.834 7.665 1.00 0.00 N ATOM 411 CA VAL A 29 -0.103 0.579 7.352 1.00 0.00 C ATOM 412 C VAL A 29 0.158 1.450 8.575 1.00 0.00 C ATOM 413 O VAL A 29 -0.448 1.257 9.629 1.00 0.00 O ATOM 414 CB VAL A 29 -1.525 0.860 6.829 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.740 2.355 6.645 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.770 0.114 5.526 1.00 0.00 C ATOM 0 H VAL A 29 -0.708 -1.261 8.157 1.00 0.00 H new ATOM 0 HA VAL A 29 0.619 0.826 6.573 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.243 0.502 7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.749 2.535 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.608 2.862 7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.016 2.741 5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.779 0.324 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.047 0.440 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.660 -0.957 5.694 1.00 0.00 H new ATOM 426 N ARG A 30 1.064 2.412 8.427 1.00 0.00 N ATOM 427 CA ARG A 30 1.406 3.313 9.520 1.00 0.00 C ATOM 428 C ARG A 30 2.138 4.547 8.998 1.00 0.00 C ATOM 429 O ARG A 30 2.798 4.497 7.960 1.00 0.00 O ATOM 430 CB ARG A 30 2.274 2.591 10.552 1.00 0.00 C ATOM 431 CG ARG A 30 2.338 3.298 11.896 1.00 0.00 C ATOM 432 CD ARG A 30 3.661 3.040 12.600 1.00 0.00 C ATOM 433 NE ARG A 30 3.683 3.602 13.948 1.00 0.00 N ATOM 434 CZ ARG A 30 3.228 2.961 15.019 1.00 0.00 C ATOM 435 NH1 ARG A 30 2.719 1.742 14.900 1.00 0.00 N ATOM 436 NH2 ARG A 30 3.282 3.538 16.212 1.00 0.00 N ATOM 0 H ARG A 30 1.574 2.587 7.561 1.00 0.00 H new ATOM 0 HA ARG A 30 0.480 3.635 9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.886 1.583 10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.285 2.489 10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.205 4.370 11.751 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.517 2.958 12.527 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.840 1.966 12.652 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.473 3.471 12.014 1.00 0.00 H new ATOM 0 HE ARG A 30 4.069 4.538 14.074 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.676 1.294 13.984 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.370 1.252 15.724 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.673 4.475 16.308 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.932 3.045 17.033 1.00 0.00 H new ATOM 450 N ASP A 31 2.015 5.652 9.725 1.00 0.00 N ATOM 451 CA ASP A 31 2.665 6.898 9.336 1.00 0.00 C ATOM 452 C ASP A 31 2.404 7.212 7.866 1.00 0.00 C ATOM 453 O ASP A 31 3.262 7.761 7.177 1.00 0.00 O ATOM 454 CB ASP A 31 4.170 6.816 9.593 1.00 0.00 C ATOM 455 CG ASP A 31 4.502 6.730 11.070 1.00 0.00 C ATOM 456 OD1 ASP A 31 4.281 7.729 11.787 1.00 0.00 O ATOM 457 OD2 ASP A 31 4.981 5.664 11.509 1.00 0.00 O ATOM 0 H ASP A 31 1.472 5.710 10.586 1.00 0.00 H new ATOM 0 HA ASP A 31 2.245 7.701 9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.576 5.943 9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.657 7.692 9.165 1.00 0.00 H new ATOM 462 N ASN A 32 1.213 6.858 7.394 1.00 0.00 N ATOM 463 CA ASN A 32 0.840 7.100 6.005 1.00 0.00 C ATOM 464 C ASN A 32 1.769 6.354 5.053 1.00 0.00 C ATOM 465 O ASN A 32 2.175 6.886 4.019 1.00 0.00 O ATOM 466 CB ASN A 32 0.875 8.599 5.699 1.00 0.00 C ATOM 467 CG ASN A 32 -0.137 9.380 6.515 1.00 0.00 C ATOM 468 OD1 ASN A 32 0.225 10.121 7.429 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.413 9.216 6.188 1.00 0.00 N ATOM 0 H ASN A 32 0.491 6.403 7.952 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.174 6.729 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.875 8.985 5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.680 8.755 4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.139 9.715 6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.667 8.591 5.423 1.00 0.00 H new ATOM 476 N HIS A 33 2.103 5.117 5.409 1.00 0.00 N ATOM 477 CA HIS A 33 2.984 4.296 4.586 1.00 0.00 C ATOM 478 C HIS A 33 2.636 2.817 4.726 1.00 0.00 C ATOM 479 O HIS A 33 2.398 2.326 5.830 1.00 0.00 O ATOM 480 CB HIS A 33 4.444 4.527 4.977 1.00 0.00 C ATOM 481 CG HIS A 33 5.022 5.788 4.413 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.632 7.045 4.823 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.970 5.981 3.466 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.312 7.957 4.151 1.00 0.00 C ATOM 485 NE2 HIS A 33 6.132 7.337 3.321 1.00 0.00 N ATOM 0 H HIS A 33 1.777 4.662 6.261 1.00 0.00 H new ATOM 0 HA HIS A 33 2.844 4.588 3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.520 4.556 6.064 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.041 3.680 4.638 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.928 7.241 5.535 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.500 5.211 2.925 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.214 9.027 4.261 1.00 0.00 H new ATOM 494 N LEU A 34 2.607 2.112 3.600 1.00 0.00 N ATOM 495 CA LEU A 34 2.287 0.689 3.597 1.00 0.00 C ATOM 496 C LEU A 34 3.554 -0.154 3.495 1.00 0.00 C ATOM 497 O LEU A 34 4.140 -0.286 2.419 1.00 0.00 O ATOM 498 CB LEU A 34 1.347 0.360 2.436 1.00 0.00 C ATOM 499 CG LEU A 34 1.258 -1.114 2.041 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.952 -1.975 3.257 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.202 -1.315 0.964 1.00 0.00 C ATOM 0 H LEU A 34 2.801 2.503 2.678 1.00 0.00 H new ATOM 0 HA LEU A 34 1.790 0.452 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.347 0.707 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.666 0.930 1.564 1.00 0.00 H new ATOM 0 HG LEU A 34 2.223 -1.421 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.892 -3.021 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.744 -1.855 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.000 -1.667 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.153 -2.370 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.768 -0.991 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.464 -0.728 0.084 1.00 0.00 H new ATOM 513 N HIS A 35 3.972 -0.724 4.620 1.00 0.00 N ATOM 514 CA HIS A 35 5.169 -1.557 4.657 1.00 0.00 C ATOM 515 C HIS A 35 4.833 -3.006 4.316 1.00 0.00 C ATOM 516 O HIS A 35 3.665 -3.395 4.296 1.00 0.00 O ATOM 517 CB HIS A 35 5.825 -1.485 6.036 1.00 0.00 C ATOM 518 CG HIS A 35 6.213 -0.097 6.443 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.523 0.306 6.590 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.454 0.986 6.732 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.554 1.575 6.953 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.311 2.012 7.046 1.00 0.00 N ATOM 0 H HIS A 35 3.500 -0.625 5.519 1.00 0.00 H new ATOM 0 HA HIS A 35 5.868 -1.178 3.911 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.139 -1.894 6.778 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.713 -2.118 6.040 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.375 1.034 6.718 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.444 2.157 7.142 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.033 2.958 7.308 1.00 0.00 H new ATOM 531 N PHE A 36 5.864 -3.800 4.046 1.00 0.00 N ATOM 532 CA PHE A 36 5.679 -5.205 3.704 1.00 0.00 C ATOM 533 C PHE A 36 6.594 -6.094 4.540 1.00 0.00 C ATOM 534 O PHE A 36 7.753 -5.756 4.784 1.00 0.00 O ATOM 535 CB PHE A 36 5.952 -5.430 2.215 1.00 0.00 C ATOM 536 CG PHE A 36 4.948 -4.768 1.315 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.823 -3.388 1.291 1.00 0.00 C ATOM 538 CD2 PHE A 36 4.129 -5.525 0.493 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.901 -2.775 0.463 1.00 0.00 C ATOM 540 CE2 PHE A 36 3.205 -4.918 -0.336 1.00 0.00 C ATOM 541 CZ PHE A 36 3.090 -3.542 -0.351 1.00 0.00 C ATOM 0 H PHE A 36 6.837 -3.494 4.058 1.00 0.00 H new ATOM 0 HA PHE A 36 4.645 -5.472 3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.947 -5.054 1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.959 -6.501 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.453 -2.784 1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.214 -6.602 0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.815 -1.698 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.573 -5.520 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.368 -3.066 -0.998 1.00 0.00 H new ATOM 551 N TYR A 37 6.065 -7.231 4.978 1.00 0.00 N ATOM 552 CA TYR A 37 6.833 -8.168 5.790 1.00 0.00 C ATOM 553 C TYR A 37 6.551 -9.609 5.373 1.00 0.00 C ATOM 554 O TYR A 37 5.595 -9.879 4.646 1.00 0.00 O ATOM 555 CB TYR A 37 6.503 -7.981 7.272 1.00 0.00 C ATOM 556 CG TYR A 37 6.654 -6.555 7.750 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.657 -5.615 7.523 1.00 0.00 C ATOM 558 CD2 TYR A 37 7.795 -6.148 8.431 1.00 0.00 C ATOM 559 CE1 TYR A 37 5.792 -4.311 7.958 1.00 0.00 C ATOM 560 CE2 TYR A 37 7.938 -4.846 8.871 1.00 0.00 C ATOM 561 CZ TYR A 37 6.934 -3.931 8.631 1.00 0.00 C ATOM 562 OH TYR A 37 7.072 -2.633 9.067 1.00 0.00 O ATOM 0 H TYR A 37 5.108 -7.526 4.785 1.00 0.00 H new ATOM 0 HA TYR A 37 7.892 -7.963 5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.479 -8.309 7.452 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.153 -8.625 7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.761 -5.909 6.997 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.583 -6.862 8.620 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.007 -3.593 7.772 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.831 -4.546 9.400 1.00 0.00 H new ATOM 0 HH TYR A 37 7.933 -2.531 9.524 1.00 0.00 H new ATOM 572 N GLN A 38 7.390 -10.528 5.839 1.00 0.00 N ATOM 573 CA GLN A 38 7.231 -11.941 5.514 1.00 0.00 C ATOM 574 C GLN A 38 6.763 -12.730 6.733 1.00 0.00 C ATOM 575 O GLN A 38 7.438 -13.655 7.182 1.00 0.00 O ATOM 576 CB GLN A 38 8.550 -12.517 4.995 1.00 0.00 C ATOM 577 CG GLN A 38 9.111 -11.768 3.797 1.00 0.00 C ATOM 578 CD GLN A 38 10.133 -12.581 3.027 1.00 0.00 C ATOM 579 OE1 GLN A 38 10.182 -13.806 3.141 1.00 0.00 O ATOM 580 NE2 GLN A 38 10.957 -11.902 2.238 1.00 0.00 N ATOM 0 H GLN A 38 8.186 -10.320 6.442 1.00 0.00 H new ATOM 0 HA GLN A 38 6.473 -12.027 4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.285 -12.502 5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.398 -13.561 4.722 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.294 -11.493 3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.571 -10.840 4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.881 -10.887 2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.666 -12.395 1.696 1.00 0.00 H new ATOM 712 N ALA A 46 9.885 -7.411 3.817 1.00 0.00 N ATOM 713 CA ALA A 46 9.814 -8.045 2.506 1.00 0.00 C ATOM 714 C ALA A 46 10.465 -7.173 1.438 1.00 0.00 C ATOM 715 O ALA A 46 11.221 -7.663 0.600 1.00 0.00 O ATOM 716 CB ALA A 46 8.367 -8.340 2.140 1.00 0.00 C ATOM 0 HA ALA A 46 10.364 -8.985 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.329 -8.813 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.933 -9.009 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.801 -7.409 2.116 1.00 0.00 H new ATOM 722 N GLN A 47 10.165 -5.878 1.474 1.00 0.00 N ATOM 723 CA GLN A 47 10.721 -4.939 0.508 1.00 0.00 C ATOM 724 C GLN A 47 10.415 -3.500 0.910 1.00 0.00 C ATOM 725 O GLN A 47 9.589 -3.253 1.788 1.00 0.00 O ATOM 726 CB GLN A 47 10.162 -5.220 -0.888 1.00 0.00 C ATOM 727 CG GLN A 47 8.643 -5.216 -0.948 1.00 0.00 C ATOM 728 CD GLN A 47 8.115 -5.304 -2.366 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.770 -4.868 -3.313 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.923 -5.870 -2.520 1.00 0.00 N ATOM 0 H GLN A 47 9.540 -5.456 2.161 1.00 0.00 H new ATOM 0 HA GLN A 47 11.803 -5.071 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.547 -4.472 -1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.528 -6.189 -1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.258 -6.055 -0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.267 -4.306 -0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.415 -6.218 -1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.516 -5.957 -3.451 1.00 0.00 H new ATOM 739 N GLN A 48 11.088 -2.554 0.262 1.00 0.00 N ATOM 740 CA GLN A 48 10.888 -1.139 0.553 1.00 0.00 C ATOM 741 C GLN A 48 9.418 -0.843 0.833 1.00 0.00 C ATOM 742 O GLN A 48 8.518 -1.381 0.188 1.00 0.00 O ATOM 743 CB GLN A 48 11.381 -0.282 -0.614 1.00 0.00 C ATOM 744 CG GLN A 48 11.888 1.088 -0.191 1.00 0.00 C ATOM 745 CD GLN A 48 12.670 1.784 -1.287 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.184 1.142 -2.203 1.00 0.00 O ATOM 747 NE2 GLN A 48 12.763 3.106 -1.200 1.00 0.00 N ATOM 0 H GLN A 48 11.776 -2.742 -0.467 1.00 0.00 H new ATOM 0 HA GLN A 48 11.465 -0.892 1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.181 -0.812 -1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.568 -0.155 -1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.042 1.711 0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.521 0.981 0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.321 3.598 -0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.276 3.629 -1.910 1.00 0.00 H new ATOM 756 N PRO A 49 9.167 0.033 1.817 1.00 0.00 N ATOM 757 CA PRO A 49 7.808 0.420 2.204 1.00 0.00 C ATOM 758 C PRO A 49 7.122 1.271 1.140 1.00 0.00 C ATOM 759 O PRO A 49 7.750 1.692 0.168 1.00 0.00 O ATOM 760 CB PRO A 49 8.021 1.234 3.483 1.00 0.00 C ATOM 761 CG PRO A 49 9.410 1.761 3.369 1.00 0.00 C ATOM 762 CD PRO A 49 10.192 0.712 2.628 1.00 0.00 C ATOM 0 HA PRO A 49 7.160 -0.447 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.296 2.044 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.905 0.613 4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.424 2.710 2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.840 1.945 4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.969 1.155 2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.686 0.022 3.311 1.00 0.00 H new ATOM 770 N LEU A 50 5.831 1.520 1.330 1.00 0.00 N ATOM 771 CA LEU A 50 5.060 2.321 0.386 1.00 0.00 C ATOM 772 C LEU A 50 4.611 3.632 1.024 1.00 0.00 C ATOM 773 O LEU A 50 4.335 3.688 2.222 1.00 0.00 O ATOM 774 CB LEU A 50 3.842 1.536 -0.104 1.00 0.00 C ATOM 775 CG LEU A 50 4.080 0.599 -1.289 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.825 -0.205 -1.594 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.521 1.388 -2.513 1.00 0.00 C ATOM 0 H LEU A 50 5.296 1.179 2.129 1.00 0.00 H new ATOM 0 HA LEU A 50 5.701 2.553 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.456 0.947 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.063 2.247 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 50 4.877 -0.096 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.013 -0.866 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.553 -0.800 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.008 0.474 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.686 0.705 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.747 2.107 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.447 1.918 -2.290 1.00 0.00 H new ATOM 789 N SER A 51 4.538 4.684 0.214 1.00 0.00 N ATOM 790 CA SER A 51 4.124 5.995 0.700 1.00 0.00 C ATOM 791 C SER A 51 2.670 6.275 0.335 1.00 0.00 C ATOM 792 O SER A 51 2.378 7.169 -0.460 1.00 0.00 O ATOM 793 CB SER A 51 5.027 7.086 0.119 1.00 0.00 C ATOM 794 OG SER A 51 5.109 8.198 0.993 1.00 0.00 O ATOM 0 H SER A 51 4.760 4.654 -0.781 1.00 0.00 H new ATOM 0 HA SER A 51 4.215 5.998 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.024 6.682 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.639 7.407 -0.848 1.00 0.00 H new ATOM 0 HG SER A 51 5.784 8.024 1.681 1.00 0.00 H new ATOM 800 N LEU A 52 1.761 5.504 0.921 1.00 0.00 N ATOM 801 CA LEU A 52 0.335 5.668 0.659 1.00 0.00 C ATOM 802 C LEU A 52 -0.033 7.144 0.550 1.00 0.00 C ATOM 803 O LEU A 52 -0.950 7.514 -0.183 1.00 0.00 O ATOM 804 CB LEU A 52 -0.487 5.006 1.767 1.00 0.00 C ATOM 805 CG LEU A 52 -0.155 3.543 2.066 1.00 0.00 C ATOM 806 CD1 LEU A 52 -0.823 3.098 3.357 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.582 2.653 0.908 1.00 0.00 C ATOM 0 H LEU A 52 1.986 4.759 1.581 1.00 0.00 H new ATOM 0 HA LEU A 52 0.108 5.185 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.356 5.582 2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.541 5.071 1.498 1.00 0.00 H new ATOM 0 HG LEU A 52 0.924 3.452 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.576 2.055 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.469 3.717 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.904 3.203 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.338 1.616 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.657 2.748 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.057 2.957 0.002 1.00 0.00 H new ATOM 819 N VAL A 53 0.690 7.984 1.284 1.00 0.00 N ATOM 820 CA VAL A 53 0.442 9.421 1.268 1.00 0.00 C ATOM 821 C VAL A 53 0.476 9.968 -0.155 1.00 0.00 C ATOM 822 O VAL A 53 1.546 10.172 -0.727 1.00 0.00 O ATOM 823 CB VAL A 53 1.475 10.178 2.123 1.00 0.00 C ATOM 824 CG1 VAL A 53 2.885 9.908 1.620 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.177 11.670 2.121 1.00 0.00 C ATOM 0 H VAL A 53 1.452 7.694 1.897 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.551 9.576 1.690 1.00 0.00 H new ATOM 0 HB VAL A 53 1.405 9.818 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.601 10.451 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.093 8.840 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.972 10.239 0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.917 12.190 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.218 12.048 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.182 11.843 2.532 1.00 0.00 H new ATOM 835 N GLY A 54 -0.704 10.205 -0.721 1.00 0.00 N ATOM 836 CA GLY A 54 -0.787 10.727 -2.072 1.00 0.00 C ATOM 837 C GLY A 54 -1.420 9.744 -3.036 1.00 0.00 C ATOM 838 O GLY A 54 -2.170 10.137 -3.931 1.00 0.00 O ATOM 0 H GLY A 54 -1.603 10.045 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.367 11.650 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.214 10.981 -2.422 1.00 0.00 H new ATOM 842 N CYS A 55 -1.119 8.463 -2.855 1.00 0.00 N ATOM 843 CA CYS A 55 -1.663 7.420 -3.717 1.00 0.00 C ATOM 844 C CYS A 55 -3.181 7.349 -3.594 1.00 0.00 C ATOM 845 O CYS A 55 -3.784 8.082 -2.810 1.00 0.00 O ATOM 846 CB CYS A 55 -1.047 6.065 -3.365 1.00 0.00 C ATOM 847 SG CYS A 55 0.751 6.098 -3.176 1.00 0.00 S ATOM 0 H CYS A 55 -0.501 8.122 -2.119 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.412 7.668 -4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.493 5.705 -2.437 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.307 5.347 -4.143 1.00 0.00 H new ATOM 0 HG CYS A 55 1.225 7.179 -3.721 1.00 0.00 H new ATOM 853 N GLU A 56 -3.792 6.464 -4.375 1.00 0.00 N ATOM 854 CA GLU A 56 -5.241 6.301 -4.355 1.00 0.00 C ATOM 855 C GLU A 56 -5.627 4.839 -4.561 1.00 0.00 C ATOM 856 O GLU A 56 -5.278 4.229 -5.572 1.00 0.00 O ATOM 857 CB GLU A 56 -5.890 7.168 -5.436 1.00 0.00 C ATOM 858 CG GLU A 56 -7.376 6.906 -5.615 1.00 0.00 C ATOM 859 CD GLU A 56 -8.112 8.098 -6.195 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.707 8.579 -7.274 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.095 8.550 -5.570 1.00 0.00 O ATOM 0 H GLU A 56 -3.307 5.849 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.603 6.621 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.742 8.218 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.382 6.993 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.513 6.045 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.814 6.647 -4.651 1.00 0.00 H new ATOM 868 N VAL A 57 -6.349 4.281 -3.594 1.00 0.00 N ATOM 869 CA VAL A 57 -6.783 2.891 -3.669 1.00 0.00 C ATOM 870 C VAL A 57 -8.132 2.773 -4.370 1.00 0.00 C ATOM 871 O VAL A 57 -9.096 3.443 -4.001 1.00 0.00 O ATOM 872 CB VAL A 57 -6.888 2.260 -2.267 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.001 0.747 -2.370 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.693 2.657 -1.414 1.00 0.00 C ATOM 0 H VAL A 57 -6.646 4.770 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.030 2.355 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.790 2.636 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.074 0.319 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.891 0.487 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.118 0.350 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.783 2.203 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.775 2.311 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.663 3.742 -1.313 1.00 0.00 H new ATOM 884 N VAL A 58 -8.192 1.916 -5.384 1.00 0.00 N ATOM 885 CA VAL A 58 -9.424 1.708 -6.137 1.00 0.00 C ATOM 886 C VAL A 58 -9.761 0.225 -6.240 1.00 0.00 C ATOM 887 O VAL A 58 -8.888 -0.625 -6.420 1.00 0.00 O ATOM 888 CB VAL A 58 -9.321 2.300 -7.555 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.757 3.757 -7.558 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.904 2.158 -8.090 1.00 0.00 C ATOM 0 H VAL A 58 -7.403 1.355 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.218 2.221 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.990 1.744 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.678 4.158 -8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.791 3.828 -7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.116 4.330 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.850 2.582 -9.093 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.213 2.688 -7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.633 1.103 -8.127 1.00 0.00 H new ATOM 900 N PRO A 59 -11.058 -0.096 -6.124 1.00 0.00 N ATOM 901 CA PRO A 59 -11.541 -1.478 -6.202 1.00 0.00 C ATOM 902 C PRO A 59 -11.423 -2.054 -7.609 1.00 0.00 C ATOM 903 O PRO A 59 -12.340 -1.928 -8.421 1.00 0.00 O ATOM 904 CB PRO A 59 -13.012 -1.363 -5.793 1.00 0.00 C ATOM 905 CG PRO A 59 -13.390 0.039 -6.128 1.00 0.00 C ATOM 906 CD PRO A 59 -12.153 0.865 -5.908 1.00 0.00 C ATOM 0 HA PRO A 59 -10.960 -2.150 -5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.630 -2.080 -6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.144 -1.566 -4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.732 0.115 -7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.208 0.385 -5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.098 1.700 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.125 1.287 -4.903 1.00 0.00 H new ATOM 914 N ASP A 60 -10.290 -2.688 -7.891 1.00 0.00 N ATOM 915 CA ASP A 60 -10.053 -3.286 -9.200 1.00 0.00 C ATOM 916 C ASP A 60 -10.141 -4.807 -9.126 1.00 0.00 C ATOM 917 O ASP A 60 -9.132 -5.512 -9.120 1.00 0.00 O ATOM 918 CB ASP A 60 -8.683 -2.867 -9.735 1.00 0.00 C ATOM 919 CG ASP A 60 -8.605 -2.938 -11.247 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.008 -3.975 -11.813 1.00 0.00 O ATOM 921 OD2 ASP A 60 -8.141 -1.956 -11.864 1.00 0.00 O ATOM 0 H ASP A 60 -9.521 -2.801 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.825 -2.928 -9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.465 -1.850 -9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.916 -3.510 -9.304 1.00 0.00 H new ATOM 926 N PRO A 61 -11.376 -5.326 -9.069 1.00 0.00 N ATOM 927 CA PRO A 61 -11.626 -6.769 -8.994 1.00 0.00 C ATOM 928 C PRO A 61 -11.279 -7.485 -10.295 1.00 0.00 C ATOM 929 O PRO A 61 -10.896 -6.853 -11.280 1.00 0.00 O ATOM 930 CB PRO A 61 -13.129 -6.855 -8.721 1.00 0.00 C ATOM 931 CG PRO A 61 -13.688 -5.590 -9.273 1.00 0.00 C ATOM 932 CD PRO A 61 -12.625 -4.545 -9.073 1.00 0.00 C ATOM 0 HA PRO A 61 -11.013 -7.250 -8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.570 -7.727 -9.205 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.333 -6.945 -7.654 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.933 -5.700 -10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.609 -5.313 -8.759 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.634 -3.805 -9.873 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.764 -4.004 -8.137 1.00 0.00 H new ATOM 940 N SER A 62 -11.417 -8.807 -10.292 1.00 0.00 N ATOM 941 CA SER A 62 -11.115 -9.610 -11.472 1.00 0.00 C ATOM 942 C SER A 62 -12.074 -10.790 -11.586 1.00 0.00 C ATOM 943 O SER A 62 -12.838 -11.093 -10.669 1.00 0.00 O ATOM 944 CB SER A 62 -9.671 -10.114 -11.415 1.00 0.00 C ATOM 945 OG SER A 62 -9.626 -11.495 -11.099 1.00 0.00 O ATOM 0 H SER A 62 -11.736 -9.345 -9.486 1.00 0.00 H new ATOM 0 HA SER A 62 -11.238 -8.979 -12.352 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.184 -9.941 -12.375 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.114 -9.548 -10.668 1.00 0.00 H new ATOM 0 HG SER A 62 -8.693 -11.794 -11.070 1.00 0.00 H new ATOM 951 N PRO A 63 -12.035 -11.474 -12.739 1.00 0.00 N ATOM 952 CA PRO A 63 -12.893 -12.633 -13.002 1.00 0.00 C ATOM 953 C PRO A 63 -12.508 -13.843 -12.157 1.00 0.00 C ATOM 954 O PRO A 63 -13.071 -14.927 -12.316 1.00 0.00 O ATOM 955 CB PRO A 63 -12.657 -12.920 -14.486 1.00 0.00 C ATOM 956 CG PRO A 63 -11.302 -12.370 -14.768 1.00 0.00 C ATOM 957 CD PRO A 63 -11.149 -11.170 -13.875 1.00 0.00 C ATOM 0 HA PRO A 63 -13.935 -12.433 -12.753 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.701 -13.989 -14.694 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.415 -12.443 -15.107 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.529 -13.111 -14.562 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.205 -12.091 -15.817 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.116 -11.037 -13.554 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.446 -10.252 -14.382 1.00 0.00 H new ATOM 965 N ASP A 64 -11.548 -13.651 -11.260 1.00 0.00 N ATOM 966 CA ASP A 64 -11.089 -14.727 -10.389 1.00 0.00 C ATOM 967 C ASP A 64 -11.190 -14.319 -8.922 1.00 0.00 C ATOM 968 O ASP A 64 -11.220 -15.169 -8.032 1.00 0.00 O ATOM 969 CB ASP A 64 -9.646 -15.106 -10.728 1.00 0.00 C ATOM 970 CG ASP A 64 -9.529 -15.793 -12.074 1.00 0.00 C ATOM 971 OD1 ASP A 64 -10.011 -16.938 -12.199 1.00 0.00 O ATOM 972 OD2 ASP A 64 -8.954 -15.186 -13.002 1.00 0.00 O ATOM 0 H ASP A 64 -11.072 -12.760 -11.117 1.00 0.00 H new ATOM 0 HA ASP A 64 -11.731 -15.592 -10.552 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.028 -14.208 -10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.254 -15.764 -9.952 1.00 0.00 H new ATOM 977 N HIS A 65 -11.240 -13.013 -8.678 1.00 0.00 N ATOM 978 CA HIS A 65 -11.338 -12.493 -7.319 1.00 0.00 C ATOM 979 C HIS A 65 -11.986 -11.112 -7.312 1.00 0.00 C ATOM 980 O HIS A 65 -11.359 -10.118 -7.682 1.00 0.00 O ATOM 981 CB HIS A 65 -9.952 -12.422 -6.678 1.00 0.00 C ATOM 982 CG HIS A 65 -9.021 -13.500 -7.141 1.00 0.00 C ATOM 983 ND1 HIS A 65 -8.990 -14.824 -6.861 1.00 0.00 N flip ATOM 984 CD2 HIS A 65 -7.966 -13.267 -7.998 1.00 0.00 C flip ATOM 985 CE1 HIS A 65 -7.929 -15.361 -7.548 1.00 0.00 C flip ATOM 986 NE2 HIS A 65 -7.328 -14.400 -8.226 1.00 0.00 N flip ATOM 0 H HIS A 65 -11.214 -12.296 -9.403 1.00 0.00 H new ATOM 0 HA HIS A 65 -11.964 -13.172 -6.740 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.508 -11.451 -6.898 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.058 -12.486 -5.595 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.703 -12.307 -8.417 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.634 -16.400 -7.536 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.510 -14.514 -8.824 1.00 0.00 H new ATOM 995 N LEU A 66 -13.244 -11.057 -6.889 1.00 0.00 N ATOM 996 CA LEU A 66 -13.978 -9.797 -6.834 1.00 0.00 C ATOM 997 C LEU A 66 -13.616 -9.010 -5.579 1.00 0.00 C ATOM 998 O LEU A 66 -14.296 -8.050 -5.218 1.00 0.00 O ATOM 999 CB LEU A 66 -15.485 -10.060 -6.867 1.00 0.00 C ATOM 1000 CG LEU A 66 -15.967 -11.068 -7.912 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.285 -11.693 -7.482 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.110 -10.399 -9.271 1.00 0.00 C ATOM 0 H LEU A 66 -13.777 -11.870 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.699 -9.205 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.794 -10.411 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.995 -9.113 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.223 -11.860 -7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.613 -12.407 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.150 -12.207 -6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.038 -10.913 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.454 -11.131 -10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.834 -9.587 -9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.145 -10.000 -9.583 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.539 -9.422 -4.919 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.086 -8.756 -3.704 1.00 0.00 C ATOM 1016 C TYR A 67 -10.625 -8.333 -3.827 1.00 0.00 C ATOM 1017 O TYR A 67 -9.844 -8.476 -2.886 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.261 -9.678 -2.496 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.535 -10.492 -2.536 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.751 -9.901 -2.854 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.521 -11.853 -2.256 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.917 -10.640 -2.891 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.682 -12.601 -2.292 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.878 -11.990 -2.609 1.00 0.00 C ATOM 1025 OH TYR A 67 -17.037 -12.731 -2.646 1.00 0.00 O ATOM 0 H TYR A 67 -11.964 -10.214 -5.205 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.694 -7.862 -3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.409 -10.355 -2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.252 -9.077 -1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.785 -8.845 -3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.587 -12.334 -2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.854 -10.164 -3.139 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.654 -13.658 -2.073 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.836 -13.664 -2.424 1.00 0.00 H new ATOM 1035 N SER A 68 -10.263 -7.811 -4.995 1.00 0.00 N ATOM 1036 CA SER A 68 -8.896 -7.369 -5.244 1.00 0.00 C ATOM 1037 C SER A 68 -8.854 -5.874 -5.542 1.00 0.00 C ATOM 1038 O SER A 68 -9.525 -5.392 -6.454 1.00 0.00 O ATOM 1039 CB SER A 68 -8.290 -8.151 -6.411 1.00 0.00 C ATOM 1040 OG SER A 68 -9.174 -8.181 -7.518 1.00 0.00 O ATOM 0 H SER A 68 -10.897 -7.684 -5.783 1.00 0.00 H new ATOM 0 HA SER A 68 -8.309 -7.559 -4.345 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.346 -7.694 -6.708 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.065 -9.169 -6.093 1.00 0.00 H new ATOM 0 HG SER A 68 -9.833 -8.895 -7.391 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.059 -5.144 -4.765 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.929 -3.703 -4.945 1.00 0.00 C ATOM 1048 C PHE A 69 -6.484 -3.322 -5.254 1.00 0.00 C ATOM 1049 O PHE A 69 -5.553 -4.053 -4.918 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.405 -2.967 -3.690 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.878 -3.556 -2.413 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.510 -4.637 -1.821 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.751 -3.028 -1.805 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -8.028 -5.181 -0.645 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.263 -3.568 -0.629 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.902 -4.646 -0.049 1.00 0.00 C ATOM 0 H PHE A 69 -7.496 -5.527 -4.006 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.552 -3.409 -5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.098 -1.923 -3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.495 -2.978 -3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.390 -5.060 -2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.248 -2.185 -2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.531 -6.023 -0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.383 -3.147 -0.165 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.522 -5.070 0.869 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.307 -2.173 -5.898 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.977 -1.694 -6.255 1.00 0.00 C ATOM 1068 C ARG A 70 -4.836 -0.205 -5.954 1.00 0.00 C ATOM 1069 O ARG A 70 -5.829 0.518 -5.872 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.699 -1.955 -7.736 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.619 -1.189 -8.673 1.00 0.00 C ATOM 1072 CD ARG A 70 -4.929 -0.863 -9.988 1.00 0.00 C ATOM 1073 NE ARG A 70 -4.969 -1.987 -10.921 1.00 0.00 N ATOM 1074 CZ ARG A 70 -4.007 -2.897 -11.017 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -2.935 -2.818 -10.241 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -4.117 -3.891 -11.889 1.00 0.00 N ATOM 0 H ARG A 70 -7.068 -1.557 -6.183 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.249 -2.238 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.666 -1.687 -7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.800 -3.022 -7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.515 -1.779 -8.867 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.943 -0.266 -8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.408 0.004 -10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.892 -0.589 -9.795 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.781 -2.077 -11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.848 -2.057 -9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.198 -3.519 -10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.941 -3.957 -12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.377 -4.590 -11.962 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.596 0.245 -5.790 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.326 1.648 -5.499 1.00 0.00 C ATOM 1092 C ILE A 71 -2.723 2.354 -6.709 1.00 0.00 C ATOM 1093 O ILE A 71 -2.006 1.744 -7.504 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.370 1.800 -4.301 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.558 0.640 -3.321 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.603 3.132 -3.604 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.572 0.653 -2.173 1.00 0.00 C ATOM 0 H ILE A 71 -2.763 -0.341 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.282 2.109 -5.251 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.344 1.779 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.571 0.674 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.461 -0.301 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.920 3.225 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.425 3.946 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.631 3.180 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.764 -0.197 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.557 0.587 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.684 1.578 -1.608 1.00 0.00 H new ATOM 1109 N LEU A 72 -3.016 3.643 -6.841 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.501 4.434 -7.953 1.00 0.00 C ATOM 1111 C LEU A 72 -2.118 5.837 -7.492 1.00 0.00 C ATOM 1112 O LEU A 72 -2.824 6.453 -6.693 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.543 4.518 -9.070 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.104 3.185 -9.567 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.548 3.348 -10.015 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.250 2.637 -10.701 1.00 0.00 C ATOM 0 H LEU A 72 -3.607 4.162 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.607 3.941 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.374 5.131 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.097 5.040 -9.917 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.079 2.472 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.931 2.389 -10.365 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.152 3.695 -9.177 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.598 4.076 -10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.664 1.688 -11.042 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.243 3.348 -11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.231 2.482 -10.347 1.00 0.00 H new ATOM 1128 N HIS A 73 -0.998 6.337 -8.003 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.522 7.669 -7.646 1.00 0.00 C ATOM 1130 C HIS A 73 -0.487 8.579 -8.870 1.00 0.00 C ATOM 1131 O HIS A 73 0.539 8.698 -9.539 1.00 0.00 O ATOM 1132 CB HIS A 73 0.869 7.585 -7.018 1.00 0.00 C ATOM 1133 CG HIS A 73 1.258 8.816 -6.259 1.00 0.00 C ATOM 1134 ND1 HIS A 73 1.126 9.127 -4.948 1.00 0.00 N flip ATOM 1135 CD2 HIS A 73 1.861 9.906 -6.851 1.00 0.00 C flip ATOM 1136 CE1 HIS A 73 1.647 10.386 -4.774 1.00 0.00 C flip ATOM 1137 NE2 HIS A 73 2.085 10.833 -5.937 1.00 0.00 N flip ATOM 0 H HIS A 73 -0.403 5.840 -8.666 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.215 8.093 -6.919 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.904 6.727 -6.346 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.603 7.405 -7.803 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.111 9.989 -7.898 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.691 10.923 -3.838 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.522 11.740 -6.101 1.00 0.00 H new ATOM 1146 N LYS A 74 -1.615 9.220 -9.158 1.00 0.00 N ATOM 1147 CA LYS A 74 -1.714 10.120 -10.300 1.00 0.00 C ATOM 1148 C LYS A 74 -1.793 9.336 -11.606 1.00 0.00 C ATOM 1149 O LYS A 74 -1.207 9.728 -12.613 1.00 0.00 O ATOM 1150 CB LYS A 74 -0.513 11.068 -10.334 1.00 0.00 C ATOM 1151 CG LYS A 74 -0.146 11.633 -8.973 1.00 0.00 C ATOM 1152 CD LYS A 74 0.460 13.022 -9.092 1.00 0.00 C ATOM 1153 CE LYS A 74 1.256 13.390 -7.849 1.00 0.00 C ATOM 1154 NZ LYS A 74 1.668 14.821 -7.858 1.00 0.00 N ATOM 0 H LYS A 74 -2.474 9.132 -8.615 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.628 10.704 -10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.347 10.537 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.730 11.892 -11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.035 11.675 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.562 10.967 -8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.109 13.063 -9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.332 13.754 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.656 13.190 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.141 12.758 -7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.208 15.032 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.262 15.006 -8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.822 15.425 -7.894 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.525 8.225 -11.581 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.668 7.404 -12.769 1.00 0.00 C ATOM 1170 C GLY A 75 -1.573 6.363 -12.890 1.00 0.00 C ATOM 1171 O GLY A 75 -1.608 5.519 -13.784 1.00 0.00 O ATOM 0 H GLY A 75 -3.021 7.880 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.637 6.906 -12.748 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.657 8.043 -13.652 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.598 6.425 -11.989 1.00 0.00 N ATOM 1176 CA GLU A 76 0.514 5.481 -12.001 1.00 0.00 C ATOM 1177 C GLU A 76 0.225 4.289 -11.093 1.00 0.00 C ATOM 1178 O GLU A 76 -0.516 4.404 -10.118 1.00 0.00 O ATOM 1179 CB GLU A 76 1.804 6.173 -11.558 1.00 0.00 C ATOM 1180 CG GLU A 76 2.598 6.773 -12.706 1.00 0.00 C ATOM 1181 CD GLU A 76 3.448 5.745 -13.428 1.00 0.00 C ATOM 1182 OE1 GLU A 76 2.906 4.682 -13.798 1.00 0.00 O ATOM 1183 OE2 GLU A 76 4.654 6.002 -13.622 1.00 0.00 O ATOM 0 H GLU A 76 -0.555 7.118 -11.242 1.00 0.00 H new ATOM 0 HA GLU A 76 0.638 5.117 -13.021 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.558 6.961 -10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.430 5.453 -11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.911 7.234 -13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.241 7.566 -12.323 1.00 0.00 H new ATOM 1190 N GLU A 77 0.816 3.145 -11.423 1.00 0.00 N ATOM 1191 CA GLU A 77 0.621 1.931 -10.638 1.00 0.00 C ATOM 1192 C GLU A 77 1.599 1.877 -9.468 1.00 0.00 C ATOM 1193 O GLU A 77 2.813 1.961 -9.654 1.00 0.00 O ATOM 1194 CB GLU A 77 0.796 0.693 -11.520 1.00 0.00 C ATOM 1195 CG GLU A 77 0.409 -0.605 -10.831 1.00 0.00 C ATOM 1196 CD GLU A 77 0.570 -1.814 -11.732 1.00 0.00 C ATOM 1197 OE1 GLU A 77 0.426 -1.659 -12.963 1.00 0.00 O ATOM 1198 OE2 GLU A 77 0.840 -2.914 -11.207 1.00 0.00 O ATOM 0 H GLU A 77 1.433 3.033 -12.227 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.394 1.945 -10.241 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.193 0.810 -12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.836 0.629 -11.839 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.023 -0.736 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.627 -0.540 -10.498 1.00 0.00 H new ATOM 1205 N LEU A 78 1.060 1.738 -8.261 1.00 0.00 N ATOM 1206 CA LEU A 78 1.884 1.674 -7.059 1.00 0.00 C ATOM 1207 C LEU A 78 1.972 0.244 -6.535 1.00 0.00 C ATOM 1208 O LEU A 78 3.061 -0.264 -6.268 1.00 0.00 O ATOM 1209 CB LEU A 78 1.313 2.591 -5.976 1.00 0.00 C ATOM 1210 CG LEU A 78 1.422 4.093 -6.242 1.00 0.00 C ATOM 1211 CD1 LEU A 78 2.723 4.641 -5.675 1.00 0.00 C ATOM 1212 CD2 LEU A 78 1.325 4.379 -7.733 1.00 0.00 C ATOM 0 H LEU A 78 0.057 1.668 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 78 2.888 2.009 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.261 2.343 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.821 2.371 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 78 0.592 4.593 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.784 5.711 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.752 4.469 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.566 4.136 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.404 5.453 -7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.134 3.868 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.367 4.022 -8.110 1.00 0.00 H new ATOM 1224 N ALA A 79 0.819 -0.401 -6.393 1.00 0.00 N ATOM 1225 CA ALA A 79 0.767 -1.774 -5.906 1.00 0.00 C ATOM 1226 C ALA A 79 -0.618 -2.377 -6.112 1.00 0.00 C ATOM 1227 O ALA A 79 -1.536 -1.705 -6.583 1.00 0.00 O ATOM 1228 CB ALA A 79 1.155 -1.828 -4.436 1.00 0.00 C ATOM 0 H ALA A 79 -0.092 0.005 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 79 1.481 -2.364 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.112 -2.859 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.168 -1.445 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.464 -1.218 -3.855 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.763 -3.649 -5.757 1.00 0.00 N ATOM 1235 CA LYS A 80 -2.037 -4.344 -5.902 1.00 0.00 C ATOM 1236 C LYS A 80 -2.232 -5.362 -4.783 1.00 0.00 C ATOM 1237 O LYS A 80 -1.471 -6.322 -4.663 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.108 -5.045 -7.261 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.482 -5.603 -7.587 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.731 -5.631 -9.086 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.715 -6.727 -9.467 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.051 -6.513 -8.845 1.00 0.00 N ATOM 0 H LYS A 80 -0.014 -4.220 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.835 -3.604 -5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.818 -4.340 -8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.382 -5.857 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.571 -6.612 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.247 -4.997 -7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.118 -4.665 -9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.788 -5.789 -9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.820 -6.760 -10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.320 -7.694 -9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.693 -7.280 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.955 -6.507 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.440 -5.602 -9.162 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.257 -5.146 -3.965 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.554 -6.045 -2.856 1.00 0.00 C ATOM 1258 C LEU A 81 -4.863 -6.790 -3.094 1.00 0.00 C ATOM 1259 O LEU A 81 -5.677 -6.385 -3.923 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.631 -5.261 -1.545 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.327 -4.620 -1.068 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.175 -5.606 -1.182 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.032 -3.357 -1.865 1.00 0.00 C ATOM 0 H LEU A 81 -3.896 -4.356 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.749 -6.776 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.378 -4.476 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.989 -5.932 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.441 -4.346 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.255 -5.132 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.384 -6.482 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.059 -5.911 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.101 -2.914 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.938 -3.607 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.846 -2.644 -1.732 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.059 -7.881 -2.359 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.271 -8.681 -2.490 1.00 0.00 C ATOM 1277 C GLU A 82 -6.751 -9.170 -1.126 1.00 0.00 C ATOM 1278 O GLU A 82 -5.957 -9.626 -0.305 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.023 -9.876 -3.414 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.977 -11.035 -3.180 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.580 -12.281 -3.947 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -5.763 -12.165 -4.885 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -7.086 -13.372 -3.610 1.00 0.00 O ATOM 0 H GLU A 82 -4.395 -8.230 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.047 -8.050 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.111 -9.548 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.000 -10.225 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.010 -11.264 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.984 -10.737 -3.474 1.00 0.00 H new ATOM 1290 N ALA A 83 -8.055 -9.070 -0.894 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.642 -9.502 0.369 1.00 0.00 C ATOM 1292 C ALA A 83 -9.190 -10.921 0.262 1.00 0.00 C ATOM 1293 O ALA A 83 -9.019 -11.589 -0.758 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.740 -8.541 0.797 1.00 0.00 C ATOM 0 H ALA A 83 -8.726 -8.694 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.857 -9.499 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.169 -8.876 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.321 -7.543 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.518 -8.514 0.034 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.849 -11.377 1.321 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.424 -12.717 1.348 1.00 0.00 C ATOM 1302 C LYS A 84 -11.915 -12.676 1.029 1.00 0.00 C ATOM 1303 O LYS A 84 -12.448 -13.581 0.388 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.201 -13.363 2.717 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.821 -12.584 3.865 1.00 0.00 C ATOM 1306 CD LYS A 84 -11.084 -13.476 5.066 1.00 0.00 C ATOM 1307 CE LYS A 84 -12.315 -14.345 4.856 1.00 0.00 C ATOM 1308 NZ LYS A 84 -12.672 -15.108 6.083 1.00 0.00 N ATOM 0 H LYS A 84 -9.999 -10.838 2.174 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.924 -13.315 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.617 -14.371 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.130 -13.462 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.157 -11.770 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.756 -12.131 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.216 -14.110 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.219 -12.860 5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.156 -13.718 4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.133 -15.040 4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.516 -15.687 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.879 -15.726 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.871 -14.445 6.859 1.00 0.00 H new ATOM 1322 N SER A 85 -12.583 -11.619 1.481 1.00 0.00 N ATOM 1323 CA SER A 85 -14.013 -11.461 1.246 1.00 0.00 C ATOM 1324 C SER A 85 -14.352 -10.012 0.908 1.00 0.00 C ATOM 1325 O SER A 85 -13.615 -9.092 1.262 1.00 0.00 O ATOM 1326 CB SER A 85 -14.806 -11.908 2.476 1.00 0.00 C ATOM 1327 OG SER A 85 -16.195 -11.698 2.291 1.00 0.00 O ATOM 0 H SER A 85 -12.156 -10.860 2.012 1.00 0.00 H new ATOM 0 HA SER A 85 -14.288 -12.088 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.617 -12.964 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.465 -11.357 3.352 1.00 0.00 H new ATOM 0 HG SER A 85 -16.680 -11.993 3.090 1.00 0.00 H new ATOM 1333 N SER A 86 -15.473 -9.818 0.220 1.00 0.00 N ATOM 1334 CA SER A 86 -15.908 -8.482 -0.170 1.00 0.00 C ATOM 1335 C SER A 86 -15.827 -7.518 1.009 1.00 0.00 C ATOM 1336 O SER A 86 -15.409 -6.371 0.858 1.00 0.00 O ATOM 1337 CB SER A 86 -17.339 -8.527 -0.709 1.00 0.00 C ATOM 1338 OG SER A 86 -17.681 -7.311 -1.351 1.00 0.00 O ATOM 0 H SER A 86 -16.096 -10.569 -0.079 1.00 0.00 H new ATOM 0 HA SER A 86 -15.242 -8.124 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.440 -9.354 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.033 -8.718 0.109 1.00 0.00 H new ATOM 0 HG SER A 86 -18.600 -7.366 -1.688 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.230 -7.994 2.183 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.204 -7.174 3.389 1.00 0.00 C ATOM 1346 C GLU A 87 -14.776 -6.763 3.736 1.00 0.00 C ATOM 1347 O GLU A 87 -14.515 -5.607 4.065 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.828 -7.933 4.562 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.343 -7.834 4.614 1.00 0.00 C ATOM 1350 CD GLU A 87 -19.015 -8.583 3.479 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.596 -9.724 3.191 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -19.960 -8.028 2.879 1.00 0.00 O ATOM 0 H GLU A 87 -16.578 -8.942 2.325 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.787 -6.273 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.543 -8.983 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.415 -7.548 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.697 -8.230 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.637 -6.785 4.576 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.856 -7.720 3.661 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.455 -7.458 3.969 1.00 0.00 C ATOM 1361 C GLU A 88 -11.912 -6.323 3.105 1.00 0.00 C ATOM 1362 O GLU A 88 -11.344 -5.358 3.616 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.618 -8.721 3.756 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.412 -8.814 4.675 1.00 0.00 C ATOM 1365 CD GLU A 88 -10.721 -9.538 5.971 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -11.426 -10.567 5.922 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -10.257 -9.075 7.035 1.00 0.00 O ATOM 0 H GLU A 88 -14.056 -8.683 3.390 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.389 -7.159 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.250 -9.596 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.278 -8.751 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.605 -9.332 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.054 -7.810 4.901 1.00 0.00 H new ATOM 1374 N MET A 89 -12.089 -6.447 1.794 1.00 0.00 N ATOM 1375 CA MET A 89 -11.618 -5.432 0.860 1.00 0.00 C ATOM 1376 C MET A 89 -12.269 -4.083 1.148 1.00 0.00 C ATOM 1377 O MET A 89 -11.654 -3.034 0.965 1.00 0.00 O ATOM 1378 CB MET A 89 -11.913 -5.857 -0.580 1.00 0.00 C ATOM 1379 CG MET A 89 -13.393 -5.852 -0.924 1.00 0.00 C ATOM 1380 SD MET A 89 -13.696 -5.658 -2.691 1.00 0.00 S ATOM 1381 CE MET A 89 -12.905 -4.080 -2.998 1.00 0.00 C ATOM 0 H MET A 89 -12.555 -7.241 1.355 1.00 0.00 H new ATOM 0 HA MET A 89 -10.540 -5.329 0.987 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.388 -5.189 -1.262 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.514 -6.858 -0.744 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.844 -6.783 -0.582 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.885 -5.043 -0.384 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.590 -3.429 -3.541 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.639 -3.616 -2.048 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.004 -4.234 -3.592 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.519 -4.119 1.599 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.233 -2.893 1.904 1.00 0.00 C ATOM 1393 C GLY A 90 -13.640 -2.156 3.089 1.00 0.00 C ATOM 1394 O GLY A 90 -13.740 -0.932 3.182 1.00 0.00 O ATOM 0 H GLY A 90 -14.050 -4.975 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.219 -2.241 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.277 -3.126 2.111 1.00 0.00 H new ATOM 1398 N HIS A 91 -13.022 -2.903 3.999 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.412 -2.313 5.185 1.00 0.00 C ATOM 1400 C HIS A 91 -11.052 -1.706 4.851 1.00 0.00 C ATOM 1401 O HIS A 91 -10.636 -0.720 5.458 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.258 -3.366 6.283 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.207 -3.027 7.295 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -9.866 -3.207 7.273 1.00 0.00 N flip ATOM 1405 CD2 HIS A 91 -11.492 -2.430 8.505 1.00 0.00 C flip ATOM 1406 CE1 HIS A 91 -9.370 -2.719 8.456 1.00 0.00 C flip ATOM 1407 NE2 HIS A 91 -10.372 -2.255 9.182 1.00 0.00 N flip ATOM 0 H HIS A 91 -12.931 -3.917 3.938 1.00 0.00 H new ATOM 0 HA HIS A 91 -13.067 -1.519 5.544 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.214 -3.491 6.792 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -12.014 -4.324 5.824 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.478 -2.149 8.846 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.330 -2.715 8.746 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.294 -1.834 10.108 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.365 -2.304 3.884 1.00 0.00 N ATOM 1417 CA TRP A 92 -9.051 -1.823 3.471 1.00 0.00 C ATOM 1418 C TRP A 92 -9.179 -0.611 2.554 1.00 0.00 C ATOM 1419 O TRP A 92 -8.447 0.369 2.699 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.278 -2.935 2.762 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.633 -3.905 3.705 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -8.179 -5.055 4.199 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.321 -3.808 4.269 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.286 -5.679 5.036 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -6.138 -4.934 5.095 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.282 -2.880 4.156 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.959 -5.154 5.803 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.113 -3.100 4.859 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.959 -4.230 5.674 1.00 0.00 C ATOM 0 H TRP A 92 -10.695 -3.122 3.372 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.504 -1.523 4.365 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.957 -3.477 2.103 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.510 -2.488 2.130 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.168 -5.421 3.966 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.451 -6.555 5.533 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.391 -2.006 3.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.839 -6.024 6.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.304 -2.389 4.779 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.033 -4.374 6.210 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.112 -0.684 1.612 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.336 0.409 0.671 1.00 0.00 C ATOM 1442 C LEU A 93 -10.329 1.755 1.388 1.00 0.00 C ATOM 1443 O LEU A 93 -9.540 2.640 1.060 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.665 0.214 -0.060 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.645 -0.756 -1.243 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -13.058 -1.026 -1.736 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.781 -0.206 -2.369 1.00 0.00 C ATOM 0 H LEU A 93 -10.726 -1.488 1.479 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.524 0.402 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.404 -0.137 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.006 1.185 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.213 -1.699 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.024 -1.718 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.647 -1.464 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.517 -0.090 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.778 -0.909 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.184 0.750 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.762 -0.065 -2.010 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.214 1.901 2.370 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.292 3.142 3.119 1.00 0.00 C ATOM 1461 C GLY A 94 -10.076 3.366 3.996 1.00 0.00 C ATOM 1462 O GLY A 94 -9.639 4.502 4.185 1.00 0.00 O ATOM 0 H GLY A 94 -11.878 1.183 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.394 3.976 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.188 3.132 3.740 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.528 2.282 4.535 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.356 2.366 5.399 1.00 0.00 C ATOM 1468 C LEU A 95 -7.182 3.004 4.663 1.00 0.00 C ATOM 1469 O LEU A 95 -6.621 4.003 5.115 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.964 0.974 5.897 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.589 0.859 6.554 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.682 1.156 8.043 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -6.000 -0.525 6.321 1.00 0.00 C ATOM 0 H LEU A 95 -9.877 1.335 4.389 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.610 2.993 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.716 0.641 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.000 0.285 5.053 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.927 1.595 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.693 1.069 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.060 2.168 8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.359 0.444 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.021 -0.588 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.661 -1.279 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.896 -0.701 5.250 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.817 2.423 3.526 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.711 2.936 2.725 1.00 0.00 C ATOM 1487 C LEU A 96 -6.006 4.348 2.229 1.00 0.00 C ATOM 1488 O LEU A 96 -5.140 5.223 2.260 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.444 2.011 1.536 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.954 0.603 1.878 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.249 -0.357 0.736 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.466 0.618 2.194 1.00 0.00 C ATOM 0 H LEU A 96 -7.271 1.596 3.138 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.824 2.971 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.363 1.923 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.704 2.485 0.891 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.489 0.258 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.893 -1.354 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.324 -0.391 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.742 -0.016 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.135 -0.392 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.914 0.984 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.281 1.273 3.045 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.235 4.563 1.773 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.647 5.870 1.272 1.00 0.00 C ATOM 1506 C LEU A 97 -7.465 6.945 2.339 1.00 0.00 C ATOM 1507 O LEU A 97 -6.873 7.993 2.085 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.107 5.828 0.819 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.376 5.124 -0.512 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -10.829 4.681 -0.597 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.026 6.037 -1.678 1.00 0.00 C ATOM 0 H LEU A 97 -7.963 3.850 1.740 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.015 6.120 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.693 5.334 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.474 6.852 0.746 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.743 4.238 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.002 4.182 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.047 3.991 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.480 5.552 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.224 5.520 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.633 6.941 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.971 6.305 -1.626 1.00 0.00 H new ATOM 1523 N SER A 98 -7.977 6.675 3.536 1.00 0.00 N ATOM 1524 CA SER A 98 -7.872 7.619 4.642 1.00 0.00 C ATOM 1525 C SER A 98 -6.428 8.068 4.839 1.00 0.00 C ATOM 1526 O SER A 98 -6.156 9.252 5.032 1.00 0.00 O ATOM 1527 CB SER A 98 -8.402 6.988 5.931 1.00 0.00 C ATOM 1528 OG SER A 98 -7.510 6.002 6.420 1.00 0.00 O ATOM 0 H SER A 98 -8.468 5.811 3.764 1.00 0.00 H new ATOM 0 HA SER A 98 -8.476 8.493 4.399 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.544 7.761 6.686 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.378 6.540 5.746 1.00 0.00 H new ATOM 0 HG SER A 98 -7.503 5.236 5.809 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.505 7.111 4.789 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.088 7.408 4.963 1.00 0.00 C ATOM 1536 C GLU A 99 -3.536 8.153 3.751 1.00 0.00 C ATOM 1537 O GLU A 99 -2.837 9.157 3.891 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.298 6.117 5.185 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.797 5.292 6.360 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.814 6.077 7.657 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -4.816 6.774 7.917 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.824 5.992 8.414 1.00 0.00 O ATOM 0 H GLU A 99 -5.713 6.125 4.630 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.981 8.046 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.346 5.511 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.249 6.366 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.803 4.931 6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.162 4.414 6.479 1.00 0.00 H new ATOM 1549 N SER A 100 -3.854 7.653 2.561 1.00 0.00 N ATOM 1550 CA SER A 100 -3.386 8.268 1.324 1.00 0.00 C ATOM 1551 C SER A 100 -4.115 9.582 1.061 1.00 0.00 C ATOM 1552 O SER A 100 -5.198 9.598 0.478 1.00 0.00 O ATOM 1553 CB SER A 100 -3.591 7.313 0.146 1.00 0.00 C ATOM 1554 OG SER A 100 -4.969 7.093 -0.099 1.00 0.00 O ATOM 0 H SER A 100 -4.433 6.824 2.427 1.00 0.00 H new ATOM 0 HA SER A 100 -2.322 8.478 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.121 7.726 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.099 6.363 0.354 1.00 0.00 H new ATOM 0 HG SER A 100 -5.463 7.928 0.037 1.00 0.00 H new