USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=12 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 35 CYS SG : rot 29:sc= -0.555 USER MOD Set 1.2: A 69 SER OG : rot -88:sc= 1.35 USER MOD Set 1.3: A 71 THR OG1 : rot -51:sc= 0.51 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= -0.355 K(o=-0.36,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : A 16 GLN : amide:sc= -0.89 K(o=-0.89,f=-0.028) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.145 K(o=-0.15,f=-1.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.189 USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.222 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 -103:sc= -4.41! (180deg=-9.35!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0809 X(o=-0.081,f=-0.42) USER MOD Single : A 51 ASN : amide:sc= -1.04 K(o=-1,f=-1.6) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.525 USER MOD Single : A 58 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.17) USER MOD Single : A 60 MET CE :methyl -149:sc= 0 (180deg=-0.59) USER MOD Single : A 80 MET CE :methyl -167:sc= -0.566 (180deg=-1.65) USER MOD Single : A 81 MET CE :methyl -158:sc= -0.741 (180deg=-3.13!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -6.219 8.688 1.431 1.00 0.00 N ATOM 66 CA TYR A 5 -5.781 7.765 0.377 1.00 0.00 C ATOM 67 C TYR A 5 -6.940 7.416 -0.557 1.00 0.00 C ATOM 68 O TYR A 5 -6.831 7.565 -1.776 1.00 0.00 O ATOM 69 CB TYR A 5 -5.222 6.473 0.984 1.00 0.00 C ATOM 70 CG TYR A 5 -3.848 6.737 1.552 1.00 0.00 C ATOM 71 CD1 TYR A 5 -3.718 7.289 2.832 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.704 6.440 0.799 1.00 0.00 C ATOM 73 CE1 TYR A 5 -2.450 7.542 3.360 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.434 6.691 1.329 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.306 7.243 2.609 1.00 0.00 C ATOM 76 OH TYR A 5 -0.053 7.493 3.131 1.00 0.00 O ATOM 0 HA TYR A 5 -4.998 8.266 -0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.887 6.109 1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.169 5.694 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.599 7.520 3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.803 6.018 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.352 7.968 4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.552 6.459 0.751 1.00 0.00 H new ATOM 0 HH TYR A 5 0.631 7.227 2.482 1.00 0.00 H new ATOM 86 N LYS A 6 -8.051 6.950 0.027 1.00 0.00 N ATOM 87 CA LYS A 6 -9.227 6.582 -0.767 1.00 0.00 C ATOM 88 C LYS A 6 -9.886 7.819 -1.389 1.00 0.00 C ATOM 89 O LYS A 6 -10.513 7.731 -2.447 1.00 0.00 O ATOM 90 CB LYS A 6 -10.248 5.835 0.098 1.00 0.00 C ATOM 91 CG LYS A 6 -10.890 6.785 1.118 1.00 0.00 C ATOM 92 CD LYS A 6 -12.164 6.150 1.680 1.00 0.00 C ATOM 93 CE LYS A 6 -12.069 6.077 3.207 1.00 0.00 C ATOM 94 NZ LYS A 6 -11.508 4.757 3.614 1.00 0.00 N ATOM 0 H LYS A 6 -8.159 6.820 1.033 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.890 5.928 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.020 5.398 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.759 5.011 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.189 6.995 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.125 7.738 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.035 6.736 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.298 5.151 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.436 6.882 3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.056 6.215 3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.445 4.711 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.128 3.996 3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.559 4.642 3.204 1.00 0.00 H new ATOM 108 N ALA A 7 -9.738 8.970 -0.726 1.00 0.00 N ATOM 109 CA ALA A 7 -10.319 10.215 -1.226 1.00 0.00 C ATOM 110 C ALA A 7 -9.619 10.668 -2.512 1.00 0.00 C ATOM 111 O ALA A 7 -10.217 11.355 -3.339 1.00 0.00 O ATOM 112 CB ALA A 7 -10.195 11.322 -0.176 1.00 0.00 C ATOM 0 H ALA A 7 -9.225 9.063 0.151 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.371 10.027 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.632 12.242 -0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.722 11.024 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.143 11.489 0.054 1.00 0.00 H new ATOM 118 N ALA A 8 -8.348 10.274 -2.668 1.00 0.00 N ATOM 119 CA ALA A 8 -7.577 10.648 -3.857 1.00 0.00 C ATOM 120 C ALA A 8 -7.938 9.753 -5.042 1.00 0.00 C ATOM 121 O ALA A 8 -8.149 10.239 -6.155 1.00 0.00 O ATOM 122 CB ALA A 8 -6.075 10.537 -3.581 1.00 0.00 C ATOM 0 H ALA A 8 -7.838 9.703 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.824 11.681 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.519 10.819 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.805 11.203 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.830 9.510 -3.310 1.00 0.00 H new ATOM 128 N VAL A 9 -8.017 8.442 -4.790 1.00 0.00 N ATOM 129 CA VAL A 9 -8.369 7.487 -5.845 1.00 0.00 C ATOM 130 C VAL A 9 -9.828 7.685 -6.291 1.00 0.00 C ATOM 131 O VAL A 9 -10.208 7.291 -7.395 1.00 0.00 O ATOM 132 CB VAL A 9 -8.155 6.041 -5.362 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.207 5.667 -4.312 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.259 5.082 -6.551 1.00 0.00 C ATOM 0 H VAL A 9 -7.844 8.022 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.716 7.670 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.165 5.965 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.042 4.642 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.126 6.341 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.202 5.752 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.107 4.059 -6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.246 5.170 -7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.497 5.334 -7.289 1.00 0.00 H new ATOM 144 N GLU A 10 -10.634 8.308 -5.424 1.00 0.00 N ATOM 145 CA GLU A 10 -12.039 8.567 -5.739 1.00 0.00 C ATOM 146 C GLU A 10 -12.191 9.826 -6.605 1.00 0.00 C ATOM 147 O GLU A 10 -13.211 9.999 -7.274 1.00 0.00 O ATOM 148 CB GLU A 10 -12.854 8.748 -4.453 1.00 0.00 C ATOM 149 CG GLU A 10 -13.306 7.381 -3.930 1.00 0.00 C ATOM 150 CD GLU A 10 -14.475 6.868 -4.770 1.00 0.00 C ATOM 151 OE1 GLU A 10 -15.573 7.370 -4.593 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.254 5.979 -5.575 1.00 0.00 O ATOM 0 H GLU A 10 -10.338 8.639 -4.506 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.412 7.706 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.253 9.256 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.722 9.379 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.478 6.673 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.605 7.462 -2.885 1.00 0.00 H new ATOM 159 N GLN A 11 -11.178 10.709 -6.579 1.00 0.00 N ATOM 160 CA GLN A 11 -11.241 11.949 -7.365 1.00 0.00 C ATOM 161 C GLN A 11 -10.014 12.117 -8.277 1.00 0.00 C ATOM 162 O GLN A 11 -9.651 13.240 -8.640 1.00 0.00 O ATOM 163 CB GLN A 11 -11.357 13.166 -6.435 1.00 0.00 C ATOM 164 CG GLN A 11 -10.073 13.325 -5.608 1.00 0.00 C ATOM 165 CD GLN A 11 -10.359 14.136 -4.342 1.00 0.00 C ATOM 166 OE1 GLN A 11 -11.515 14.366 -3.983 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.358 14.584 -3.632 1.00 0.00 N ATOM 0 H GLN A 11 -10.324 10.590 -6.034 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.126 11.882 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.534 14.067 -7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.213 13.046 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.680 12.344 -5.340 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.307 13.823 -6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.400 14.396 -3.926 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.535 15.122 -2.784 1.00 0.00 H new ATOM 176 N LEU A 12 -9.389 10.998 -8.664 1.00 0.00 N ATOM 177 CA LEU A 12 -8.218 11.057 -9.552 1.00 0.00 C ATOM 178 C LEU A 12 -8.656 11.405 -10.979 1.00 0.00 C ATOM 179 O LEU A 12 -9.851 11.513 -11.264 1.00 0.00 O ATOM 180 CB LEU A 12 -7.450 9.721 -9.571 1.00 0.00 C ATOM 181 CG LEU A 12 -8.292 8.450 -9.392 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.448 8.438 -10.397 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.411 7.218 -9.620 1.00 0.00 C ATOM 0 H LEU A 12 -9.666 10.057 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.554 11.830 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.916 9.647 -10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.698 9.747 -8.782 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.697 8.433 -8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.039 7.532 -10.261 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.080 9.311 -10.235 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.049 8.462 -11.411 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.008 6.315 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.003 7.244 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.594 7.217 -8.899 1.00 0.00 H new ATOM 195 N THR A 13 -7.681 11.580 -11.877 1.00 0.00 N ATOM 196 CA THR A 13 -7.996 11.914 -13.266 1.00 0.00 C ATOM 197 C THR A 13 -8.136 10.650 -14.104 1.00 0.00 C ATOM 198 O THR A 13 -7.688 9.568 -13.712 1.00 0.00 O ATOM 199 CB THR A 13 -6.905 12.794 -13.895 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.670 12.595 -13.222 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.311 14.265 -13.807 1.00 0.00 C ATOM 0 H THR A 13 -6.685 11.498 -11.671 1.00 0.00 H new ATOM 0 HA THR A 13 -8.938 12.463 -13.255 1.00 0.00 H new ATOM 0 HB THR A 13 -6.787 12.516 -14.942 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.980 13.159 -13.631 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.534 14.884 -14.254 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.248 14.416 -14.342 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.441 14.545 -12.762 1.00 0.00 H new ATOM 209 N ASP A 14 -8.744 10.813 -15.276 1.00 0.00 N ATOM 210 CA ASP A 14 -8.928 9.696 -16.200 1.00 0.00 C ATOM 211 C ASP A 14 -7.581 9.283 -16.788 1.00 0.00 C ATOM 212 O ASP A 14 -7.351 8.109 -17.082 1.00 0.00 O ATOM 213 CB ASP A 14 -9.866 10.095 -17.342 1.00 0.00 C ATOM 214 CG ASP A 14 -11.315 10.041 -16.863 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.902 8.974 -16.936 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.814 11.065 -16.429 1.00 0.00 O ATOM 0 H ASP A 14 -9.116 11.703 -15.608 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.365 8.863 -15.649 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.625 11.100 -17.689 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.728 9.424 -18.190 1.00 0.00 H new ATOM 221 N GLU A 15 -6.686 10.268 -16.938 1.00 0.00 N ATOM 222 CA GLU A 15 -5.349 10.011 -17.479 1.00 0.00 C ATOM 223 C GLU A 15 -4.525 9.195 -16.485 1.00 0.00 C ATOM 224 O GLU A 15 -3.775 8.303 -16.876 1.00 0.00 O ATOM 225 CB GLU A 15 -4.621 11.327 -17.770 1.00 0.00 C ATOM 226 CG GLU A 15 -5.270 12.023 -18.969 1.00 0.00 C ATOM 227 CD GLU A 15 -5.421 13.512 -18.676 1.00 0.00 C ATOM 228 OE1 GLU A 15 -6.373 13.869 -18.000 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.584 14.274 -19.129 1.00 0.00 O ATOM 0 H GLU A 15 -6.863 11.242 -16.694 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.463 9.451 -18.407 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.660 11.976 -16.895 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.568 11.133 -17.976 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.660 11.878 -19.861 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.245 11.582 -19.174 1.00 0.00 H new ATOM 236 N GLN A 16 -4.689 9.508 -15.192 1.00 0.00 N ATOM 237 CA GLN A 16 -3.971 8.800 -14.129 1.00 0.00 C ATOM 238 C GLN A 16 -4.298 7.309 -14.171 1.00 0.00 C ATOM 239 O GLN A 16 -3.413 6.461 -14.048 1.00 0.00 O ATOM 240 CB GLN A 16 -4.366 9.357 -12.754 1.00 0.00 C ATOM 241 CG GLN A 16 -3.262 9.061 -11.733 1.00 0.00 C ATOM 242 CD GLN A 16 -3.832 8.243 -10.577 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.797 8.677 -9.425 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.361 7.073 -10.813 1.00 0.00 N ATOM 0 H GLN A 16 -5.311 10.245 -14.860 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.902 8.945 -14.288 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.532 10.432 -12.822 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.305 8.910 -12.427 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.449 8.514 -12.211 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.842 9.994 -11.358 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.392 6.710 -11.766 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.743 6.522 -10.045 1.00 0.00 H new ATOM 253 N LYS A 17 -5.586 7.007 -14.353 1.00 0.00 N ATOM 254 CA LYS A 17 -6.042 5.620 -14.422 1.00 0.00 C ATOM 255 C LYS A 17 -5.544 4.956 -15.704 1.00 0.00 C ATOM 256 O LYS A 17 -5.203 3.776 -15.706 1.00 0.00 O ATOM 257 CB LYS A 17 -7.574 5.547 -14.394 1.00 0.00 C ATOM 258 CG LYS A 17 -8.105 6.202 -13.116 1.00 0.00 C ATOM 259 CD LYS A 17 -9.541 6.680 -13.346 1.00 0.00 C ATOM 260 CE LYS A 17 -10.520 5.576 -12.938 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.835 5.802 -13.604 1.00 0.00 N ATOM 0 H LYS A 17 -6.326 7.701 -14.455 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.638 5.097 -13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.986 6.050 -15.269 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.898 4.507 -14.442 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.075 5.491 -12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.471 7.043 -12.835 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.732 7.583 -12.766 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.685 6.939 -14.395 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.122 4.601 -13.219 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.646 5.569 -11.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.499 5.051 -13.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.216 6.726 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.708 5.787 -14.636 1.00 0.00 H new ATOM 275 N ASN A 18 -5.509 5.730 -16.797 1.00 0.00 N ATOM 276 CA ASN A 18 -5.055 5.207 -18.092 1.00 0.00 C ATOM 277 C ASN A 18 -3.571 4.826 -18.058 1.00 0.00 C ATOM 278 O ASN A 18 -3.152 3.894 -18.747 1.00 0.00 O ATOM 279 CB ASN A 18 -5.273 6.244 -19.201 1.00 0.00 C ATOM 280 CG ASN A 18 -6.753 6.294 -19.584 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.429 5.264 -19.622 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.301 7.443 -19.876 1.00 0.00 N ATOM 0 H ASN A 18 -5.787 6.711 -16.811 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.644 4.314 -18.298 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.943 7.226 -18.862 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.671 5.988 -20.073 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.287 7.487 -20.135 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.743 8.297 -19.845 1.00 0.00 H new ATOM 289 N GLU A 19 -2.779 5.552 -17.257 1.00 0.00 N ATOM 290 CA GLU A 19 -1.337 5.271 -17.154 1.00 0.00 C ATOM 291 C GLU A 19 -1.106 3.832 -16.701 1.00 0.00 C ATOM 292 O GLU A 19 -0.297 3.105 -17.281 1.00 0.00 O ATOM 293 CB GLU A 19 -0.648 6.198 -16.139 1.00 0.00 C ATOM 294 CG GLU A 19 -1.107 7.641 -16.341 1.00 0.00 C ATOM 295 CD GLU A 19 0.069 8.590 -16.131 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.784 8.839 -17.087 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.236 9.056 -15.016 1.00 0.00 O ATOM 0 H GLU A 19 -3.104 6.327 -16.679 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.913 5.438 -18.144 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.880 5.874 -15.125 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.434 6.134 -16.254 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.513 7.766 -17.345 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.908 7.879 -15.641 1.00 0.00 H new ATOM 304 N PHE A 20 -1.820 3.442 -15.646 1.00 0.00 N ATOM 305 CA PHE A 20 -1.690 2.098 -15.089 1.00 0.00 C ATOM 306 C PHE A 20 -2.594 1.098 -15.814 1.00 0.00 C ATOM 307 O PHE A 20 -2.188 -0.032 -16.070 1.00 0.00 O ATOM 308 CB PHE A 20 -2.052 2.110 -13.603 1.00 0.00 C ATOM 309 CG PHE A 20 -0.891 2.653 -12.804 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.785 4.029 -12.561 1.00 0.00 C ATOM 311 CD2 PHE A 20 0.078 1.779 -12.300 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.288 4.524 -11.817 1.00 0.00 C ATOM 313 CE2 PHE A 20 1.151 2.274 -11.554 1.00 0.00 C ATOM 314 CZ PHE A 20 1.256 3.648 -11.311 1.00 0.00 C ATOM 0 H PHE A 20 -2.493 4.036 -15.161 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.654 1.787 -15.221 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.938 2.723 -13.439 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.296 1.101 -13.270 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.532 4.706 -12.949 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.003 0.719 -12.488 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.371 5.585 -11.631 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.898 1.597 -11.166 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.083 4.033 -10.733 1.00 0.00 H new ATOM 324 N LYS A 21 -3.823 1.520 -16.132 1.00 0.00 N ATOM 325 CA LYS A 21 -4.781 0.642 -16.820 1.00 0.00 C ATOM 326 C LYS A 21 -4.202 0.102 -18.131 1.00 0.00 C ATOM 327 O LYS A 21 -4.474 -1.037 -18.509 1.00 0.00 O ATOM 328 CB LYS A 21 -6.087 1.392 -17.107 1.00 0.00 C ATOM 329 CG LYS A 21 -7.125 0.433 -17.703 1.00 0.00 C ATOM 330 CD LYS A 21 -7.205 0.639 -19.219 1.00 0.00 C ATOM 331 CE LYS A 21 -8.583 0.199 -19.726 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.457 1.395 -19.907 1.00 0.00 N ATOM 0 H LYS A 21 -4.177 2.454 -15.927 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.985 -0.201 -16.159 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.473 1.832 -16.187 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.899 2.213 -17.799 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.852 -0.598 -17.480 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.100 0.610 -17.250 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.034 1.688 -19.463 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.423 0.065 -19.716 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.480 -0.335 -20.671 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.038 -0.492 -19.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.391 1.094 -20.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.565 1.887 -18.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.025 2.039 -20.599 1.00 0.00 H new ATOM 346 N ALA A 22 -3.397 0.921 -18.817 1.00 0.00 N ATOM 347 CA ALA A 22 -2.781 0.496 -20.079 1.00 0.00 C ATOM 348 C ALA A 22 -1.884 -0.717 -19.844 1.00 0.00 C ATOM 349 O ALA A 22 -2.039 -1.754 -20.492 1.00 0.00 O ATOM 350 CB ALA A 22 -1.942 1.627 -20.676 1.00 0.00 C ATOM 0 H ALA A 22 -3.159 1.869 -18.525 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.579 0.235 -20.774 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.493 1.293 -21.611 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.579 2.491 -20.867 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.155 1.905 -19.975 1.00 0.00 H new ATOM 356 N ALA A 23 -0.955 -0.577 -18.893 1.00 0.00 N ATOM 357 CA ALA A 23 -0.039 -1.664 -18.548 1.00 0.00 C ATOM 358 C ALA A 23 -0.805 -2.809 -17.885 1.00 0.00 C ATOM 359 O ALA A 23 -0.481 -3.982 -18.066 1.00 0.00 O ATOM 360 CB ALA A 23 1.042 -1.167 -17.584 1.00 0.00 C ATOM 0 H ALA A 23 -0.819 0.276 -18.351 1.00 0.00 H new ATOM 0 HA ALA A 23 0.429 -2.018 -19.467 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.715 -1.988 -17.337 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.608 -0.363 -18.055 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.574 -0.796 -16.672 1.00 0.00 H new ATOM 366 N PHE A 24 -1.830 -2.447 -17.116 1.00 0.00 N ATOM 367 CA PHE A 24 -2.654 -3.433 -16.421 1.00 0.00 C ATOM 368 C PHE A 24 -3.398 -4.327 -17.416 1.00 0.00 C ATOM 369 O PHE A 24 -3.460 -5.541 -17.242 1.00 0.00 O ATOM 370 CB PHE A 24 -3.680 -2.720 -15.528 1.00 0.00 C ATOM 371 CG PHE A 24 -4.219 -3.676 -14.491 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.217 -4.597 -14.833 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.722 -3.639 -13.184 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.715 -5.478 -13.869 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.220 -4.519 -12.222 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.217 -5.439 -12.563 1.00 0.00 C ATOM 0 H PHE A 24 -2.109 -1.479 -16.959 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.995 -4.053 -15.813 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.215 -1.864 -15.038 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.497 -2.333 -16.137 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.602 -4.627 -15.842 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.952 -2.929 -12.919 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.484 -6.189 -14.133 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.835 -4.490 -11.213 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.602 -6.119 -11.818 1.00 0.00 H new ATOM 386 N ASP A 25 -3.975 -3.706 -18.450 1.00 0.00 N ATOM 387 CA ASP A 25 -4.741 -4.449 -19.461 1.00 0.00 C ATOM 388 C ASP A 25 -3.861 -5.389 -20.290 1.00 0.00 C ATOM 389 O ASP A 25 -4.305 -6.467 -20.685 1.00 0.00 O ATOM 390 CB ASP A 25 -5.457 -3.476 -20.405 1.00 0.00 C ATOM 391 CG ASP A 25 -6.873 -3.216 -19.898 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.005 -2.628 -18.836 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.806 -3.610 -20.577 1.00 0.00 O ATOM 0 H ASP A 25 -3.928 -2.700 -18.610 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.466 -5.056 -18.920 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.904 -2.539 -20.465 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.491 -3.891 -21.413 1.00 0.00 H new ATOM 398 N ILE A 26 -2.622 -4.973 -20.565 1.00 0.00 N ATOM 399 CA ILE A 26 -1.710 -5.802 -21.369 1.00 0.00 C ATOM 400 C ILE A 26 -1.155 -6.978 -20.558 1.00 0.00 C ATOM 401 O ILE A 26 -0.978 -8.075 -21.092 1.00 0.00 O ATOM 402 CB ILE A 26 -0.544 -4.968 -21.925 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.187 -4.252 -20.780 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.092 -3.932 -22.909 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.432 -3.544 -21.313 1.00 0.00 C ATOM 0 H ILE A 26 -2.229 -4.085 -20.252 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.293 -6.196 -22.201 1.00 0.00 H new ATOM 0 HB ILE A 26 0.159 -5.627 -22.434 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.479 -3.529 -20.309 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.469 -4.972 -20.012 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.270 -3.337 -23.307 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.601 -4.441 -23.728 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.797 -3.279 -22.394 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.943 -3.040 -20.493 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.103 -4.276 -21.762 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.140 -2.810 -22.064 1.00 0.00 H new ATOM 417 N PHE A 27 -0.880 -6.745 -19.270 1.00 0.00 N ATOM 418 CA PHE A 27 -0.337 -7.806 -18.411 1.00 0.00 C ATOM 419 C PHE A 27 -1.425 -8.805 -18.002 1.00 0.00 C ATOM 420 O PHE A 27 -1.159 -10.003 -17.891 1.00 0.00 O ATOM 421 CB PHE A 27 0.317 -7.215 -17.154 1.00 0.00 C ATOM 422 CG PHE A 27 1.509 -6.367 -17.553 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.364 -6.789 -18.583 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.751 -5.150 -16.903 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.454 -5.996 -18.959 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.844 -4.361 -17.280 1.00 0.00 C ATOM 427 CZ PHE A 27 3.693 -4.783 -18.308 1.00 0.00 C ATOM 0 H PHE A 27 -1.021 -5.848 -18.805 1.00 0.00 H new ATOM 0 HA PHE A 27 0.420 -8.333 -18.991 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.405 -6.610 -16.606 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.635 -8.016 -16.486 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.180 -7.727 -19.086 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.094 -4.821 -16.111 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.110 -6.322 -19.752 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.032 -3.425 -16.776 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.534 -4.171 -18.599 1.00 0.00 H new ATOM 437 N ILE A 28 -2.653 -8.313 -17.793 1.00 0.00 N ATOM 438 CA ILE A 28 -3.763 -9.200 -17.413 1.00 0.00 C ATOM 439 C ILE A 28 -4.598 -9.608 -18.640 1.00 0.00 C ATOM 440 O ILE A 28 -5.635 -10.259 -18.498 1.00 0.00 O ATOM 441 CB ILE A 28 -4.687 -8.531 -16.377 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.520 -7.432 -17.049 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.856 -7.922 -15.245 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.917 -7.968 -17.360 1.00 0.00 C ATOM 0 H ILE A 28 -2.902 -7.327 -17.878 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.316 -10.091 -16.971 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.354 -9.288 -15.964 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.590 -6.563 -16.395 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.033 -7.102 -17.967 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.519 -7.452 -14.519 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.279 -8.706 -14.755 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.177 -7.174 -15.654 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.508 -7.187 -17.837 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.837 -8.824 -18.030 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.403 -8.276 -16.434 1.00 0.00 H new ATOM 456 N GLN A 29 -4.137 -9.220 -19.841 1.00 0.00 N ATOM 457 CA GLN A 29 -4.845 -9.546 -21.087 1.00 0.00 C ATOM 458 C GLN A 29 -5.293 -11.010 -21.105 1.00 0.00 C ATOM 459 O GLN A 29 -6.428 -11.320 -21.473 1.00 0.00 O ATOM 460 CB GLN A 29 -3.930 -9.292 -22.290 1.00 0.00 C ATOM 461 CG GLN A 29 -4.674 -9.608 -23.589 1.00 0.00 C ATOM 462 CD GLN A 29 -3.834 -9.162 -24.783 1.00 0.00 C ATOM 463 OE1 GLN A 29 -3.272 -9.991 -25.498 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.712 -7.887 -25.044 1.00 0.00 N ATOM 0 H GLN A 29 -3.280 -8.682 -19.974 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.727 -8.908 -21.144 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.600 -8.253 -22.294 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.035 -9.910 -22.214 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.876 -10.677 -23.653 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.638 -9.100 -23.600 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.177 -7.199 -24.452 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.152 -7.581 -25.839 1.00 0.00 H new ATOM 473 N ASP A 30 -4.385 -11.900 -20.700 1.00 0.00 N ATOM 474 CA ASP A 30 -4.683 -13.334 -20.665 1.00 0.00 C ATOM 475 C ASP A 30 -4.737 -13.839 -19.217 1.00 0.00 C ATOM 476 O ASP A 30 -4.289 -14.946 -18.910 1.00 0.00 O ATOM 477 CB ASP A 30 -3.614 -14.112 -21.445 1.00 0.00 C ATOM 478 CG ASP A 30 -4.272 -15.242 -22.233 1.00 0.00 C ATOM 479 OD1 ASP A 30 -4.661 -15.000 -23.364 1.00 0.00 O ATOM 480 OD2 ASP A 30 -4.378 -16.332 -21.694 1.00 0.00 O ATOM 0 H ASP A 30 -3.443 -11.656 -20.393 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.656 -13.495 -21.128 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.086 -13.442 -22.124 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.873 -14.519 -20.757 1.00 0.00 H new ATOM 485 N ALA A 31 -5.300 -13.010 -18.331 1.00 0.00 N ATOM 486 CA ALA A 31 -5.417 -13.367 -16.917 1.00 0.00 C ATOM 487 C ALA A 31 -6.825 -13.876 -16.605 1.00 0.00 C ATOM 488 O ALA A 31 -7.788 -13.560 -17.307 1.00 0.00 O ATOM 489 CB ALA A 31 -5.120 -12.156 -16.028 1.00 0.00 C ATOM 0 H ALA A 31 -5.679 -12.093 -18.568 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.692 -14.154 -16.713 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.212 -12.442 -14.980 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.107 -11.804 -16.220 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.829 -11.359 -16.250 1.00 0.00 H new ATOM 495 N GLU A 32 -6.924 -14.665 -15.533 1.00 0.00 N ATOM 496 CA GLU A 32 -8.213 -15.222 -15.110 1.00 0.00 C ATOM 497 C GLU A 32 -8.539 -14.791 -13.673 1.00 0.00 C ATOM 498 O GLU A 32 -9.089 -15.567 -12.887 1.00 0.00 O ATOM 499 CB GLU A 32 -8.186 -16.757 -15.190 1.00 0.00 C ATOM 500 CG GLU A 32 -6.970 -17.303 -14.430 1.00 0.00 C ATOM 501 CD GLU A 32 -7.248 -18.731 -13.971 1.00 0.00 C ATOM 502 OE1 GLU A 32 -7.763 -18.891 -12.876 1.00 0.00 O ATOM 503 OE2 GLU A 32 -6.941 -19.644 -14.720 1.00 0.00 O ATOM 0 H GLU A 32 -6.134 -14.932 -14.945 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.983 -14.841 -15.781 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.103 -17.167 -14.767 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.146 -17.074 -16.232 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.089 -17.282 -15.071 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.753 -16.670 -13.570 1.00 0.00 H new ATOM 510 N ASP A 33 -8.189 -13.542 -13.340 1.00 0.00 N ATOM 511 CA ASP A 33 -8.443 -13.014 -11.995 1.00 0.00 C ATOM 512 C ASP A 33 -8.689 -11.504 -12.028 1.00 0.00 C ATOM 513 O ASP A 33 -9.633 -11.008 -11.410 1.00 0.00 O ATOM 514 CB ASP A 33 -7.254 -13.305 -11.071 1.00 0.00 C ATOM 515 CG ASP A 33 -7.258 -14.780 -10.676 1.00 0.00 C ATOM 516 OD1 ASP A 33 -8.050 -15.143 -9.821 1.00 0.00 O ATOM 517 OD2 ASP A 33 -6.470 -15.526 -11.236 1.00 0.00 O ATOM 0 H ASP A 33 -7.735 -12.886 -13.975 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.336 -13.510 -11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.320 -13.056 -11.575 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.312 -12.680 -10.180 1.00 0.00 H new ATOM 522 N GLY A 34 -7.824 -10.781 -12.744 1.00 0.00 N ATOM 523 CA GLY A 34 -7.946 -9.325 -12.842 1.00 0.00 C ATOM 524 C GLY A 34 -6.876 -8.647 -11.991 1.00 0.00 C ATOM 525 O GLY A 34 -7.160 -7.711 -11.240 1.00 0.00 O ATOM 0 H GLY A 34 -7.038 -11.176 -13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.845 -9.014 -13.882 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.936 -9.013 -12.510 1.00 0.00 H new ATOM 529 N CYS A 35 -5.641 -9.141 -12.118 1.00 0.00 N ATOM 530 CA CYS A 35 -4.513 -8.593 -11.360 1.00 0.00 C ATOM 531 C CYS A 35 -3.192 -8.939 -12.045 1.00 0.00 C ATOM 532 O CYS A 35 -3.069 -9.982 -12.693 1.00 0.00 O ATOM 533 CB CYS A 35 -4.497 -9.155 -9.935 1.00 0.00 C ATOM 534 SG CYS A 35 -4.554 -10.966 -9.990 1.00 0.00 S ATOM 0 H CYS A 35 -5.398 -9.916 -12.735 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.631 -7.510 -11.320 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.598 -8.826 -9.414 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.349 -8.772 -9.373 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.994 -11.385 -11.086 1.00 0.00 H new ATOM 540 N ILE A 36 -2.201 -8.059 -11.886 1.00 0.00 N ATOM 541 CA ILE A 36 -0.885 -8.290 -12.487 1.00 0.00 C ATOM 542 C ILE A 36 0.003 -9.055 -11.505 1.00 0.00 C ATOM 543 O ILE A 36 -0.373 -9.275 -10.354 1.00 0.00 O ATOM 544 CB ILE A 36 -0.203 -6.963 -12.880 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.284 -6.222 -11.625 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.191 -6.074 -13.641 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.806 -6.364 -11.505 1.00 0.00 C ATOM 0 H ILE A 36 -2.281 -7.192 -11.354 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.027 -8.878 -13.394 1.00 0.00 H new ATOM 0 HB ILE A 36 0.652 -7.188 -13.518 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.010 -5.169 -11.682 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.201 -6.630 -10.738 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.702 -5.139 -13.915 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.523 -6.588 -14.543 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.052 -5.861 -13.007 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.151 -5.838 -10.615 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.068 -7.419 -11.428 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.282 -5.935 -12.387 1.00 0.00 H new ATOM 559 N SER A 37 1.185 -9.458 -11.971 1.00 0.00 N ATOM 560 CA SER A 37 2.112 -10.196 -11.119 1.00 0.00 C ATOM 561 C SER A 37 3.066 -9.237 -10.409 1.00 0.00 C ATOM 562 O SER A 37 3.881 -8.568 -11.050 1.00 0.00 O ATOM 563 CB SER A 37 2.926 -11.192 -11.951 1.00 0.00 C ATOM 564 OG SER A 37 3.059 -12.410 -11.230 1.00 0.00 O ATOM 0 H SER A 37 1.518 -9.288 -12.920 1.00 0.00 H new ATOM 0 HA SER A 37 1.528 -10.738 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.433 -11.374 -12.906 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.910 -10.779 -12.174 1.00 0.00 H new ATOM 0 HG SER A 37 3.578 -13.050 -11.761 1.00 0.00 H new ATOM 570 N THR A 38 2.958 -9.180 -9.075 1.00 0.00 N ATOM 571 CA THR A 38 3.826 -8.304 -8.272 1.00 0.00 C ATOM 572 C THR A 38 5.295 -8.603 -8.567 1.00 0.00 C ATOM 573 O THR A 38 6.124 -7.698 -8.640 1.00 0.00 O ATOM 574 CB THR A 38 3.577 -8.498 -6.770 1.00 0.00 C ATOM 575 OG1 THR A 38 3.810 -9.857 -6.420 1.00 0.00 O ATOM 576 CG2 THR A 38 2.135 -8.125 -6.431 1.00 0.00 C ATOM 0 H THR A 38 2.286 -9.723 -8.532 1.00 0.00 H new ATOM 0 HA THR A 38 3.591 -7.274 -8.541 1.00 0.00 H new ATOM 0 HB THR A 38 4.256 -7.856 -6.209 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.271 -9.898 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.964 -8.265 -5.364 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.958 -7.082 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.453 -8.762 -6.994 1.00 0.00 H new ATOM 584 N LYS A 39 5.599 -9.894 -8.746 1.00 0.00 N ATOM 585 CA LYS A 39 6.968 -10.322 -9.053 1.00 0.00 C ATOM 586 C LYS A 39 7.418 -9.756 -10.407 1.00 0.00 C ATOM 587 O LYS A 39 8.605 -9.500 -10.618 1.00 0.00 O ATOM 588 CB LYS A 39 7.069 -11.855 -9.085 1.00 0.00 C ATOM 589 CG LYS A 39 6.063 -12.436 -10.091 1.00 0.00 C ATOM 590 CD LYS A 39 5.360 -13.650 -9.477 1.00 0.00 C ATOM 591 CE LYS A 39 4.257 -13.183 -8.520 1.00 0.00 C ATOM 592 NZ LYS A 39 3.246 -14.267 -8.355 1.00 0.00 N ATOM 0 H LYS A 39 4.922 -10.654 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 39 7.619 -9.940 -8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.081 -12.154 -9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.875 -12.260 -8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.329 -11.678 -10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.577 -12.726 -11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.932 -14.271 -10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.081 -14.267 -8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.687 -12.923 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.780 -12.283 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.499 -13.949 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.828 -14.495 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.706 -15.114 -7.965 1.00 0.00 H new ATOM 606 N GLU A 40 6.452 -9.556 -11.316 1.00 0.00 N ATOM 607 CA GLU A 40 6.748 -9.012 -12.642 1.00 0.00 C ATOM 608 C GLU A 40 6.464 -7.500 -12.700 1.00 0.00 C ATOM 609 O GLU A 40 6.272 -6.940 -13.782 1.00 0.00 O ATOM 610 CB GLU A 40 5.906 -9.720 -13.711 1.00 0.00 C ATOM 611 CG GLU A 40 6.338 -11.185 -13.823 1.00 0.00 C ATOM 612 CD GLU A 40 5.428 -11.911 -14.810 1.00 0.00 C ATOM 613 OE1 GLU A 40 5.695 -11.836 -15.999 1.00 0.00 O ATOM 614 OE2 GLU A 40 4.477 -12.531 -14.363 1.00 0.00 O ATOM 0 H GLU A 40 5.466 -9.763 -11.155 1.00 0.00 H new ATOM 0 HA GLU A 40 7.807 -9.181 -12.836 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.849 -9.662 -13.452 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.027 -9.221 -14.672 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.374 -11.245 -14.156 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.289 -11.665 -12.846 1.00 0.00 H new ATOM 621 N LEU A 41 6.450 -6.843 -11.527 1.00 0.00 N ATOM 622 CA LEU A 41 6.202 -5.395 -11.464 1.00 0.00 C ATOM 623 C LEU A 41 7.197 -4.633 -12.344 1.00 0.00 C ATOM 624 O LEU A 41 6.874 -3.570 -12.871 1.00 0.00 O ATOM 625 CB LEU A 41 6.331 -4.879 -10.025 1.00 0.00 C ATOM 626 CG LEU A 41 5.163 -4.018 -9.522 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.954 -2.823 -10.456 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.882 -4.857 -9.480 1.00 0.00 C ATOM 0 H LEU A 41 6.606 -7.286 -10.622 1.00 0.00 H new ATOM 0 HA LEU A 41 5.187 -5.225 -11.824 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.441 -5.735 -9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.249 -4.296 -9.948 1.00 0.00 H new ATOM 0 HG LEU A 41 5.397 -3.657 -8.520 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.124 -2.218 -10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.860 -2.218 -10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.729 -3.181 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.056 -4.242 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.655 -5.224 -10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.023 -5.703 -8.807 1.00 0.00 H new ATOM 640 N GLY A 42 8.408 -5.189 -12.497 1.00 0.00 N ATOM 641 CA GLY A 42 9.443 -4.557 -13.319 1.00 0.00 C ATOM 642 C GLY A 42 8.932 -4.261 -14.730 1.00 0.00 C ATOM 643 O GLY A 42 9.275 -3.241 -15.321 1.00 0.00 O ATOM 0 H GLY A 42 8.691 -6.069 -12.065 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.769 -3.630 -12.847 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.314 -5.210 -13.375 1.00 0.00 H new ATOM 647 N LYS A 43 8.107 -5.167 -15.260 1.00 0.00 N ATOM 648 CA LYS A 43 7.550 -4.995 -16.605 1.00 0.00 C ATOM 649 C LYS A 43 6.592 -3.800 -16.670 1.00 0.00 C ATOM 650 O LYS A 43 6.424 -3.195 -17.728 1.00 0.00 O ATOM 651 CB LYS A 43 6.793 -6.256 -17.040 1.00 0.00 C ATOM 652 CG LYS A 43 7.770 -7.427 -17.181 1.00 0.00 C ATOM 653 CD LYS A 43 8.567 -7.280 -18.481 1.00 0.00 C ATOM 654 CE LYS A 43 10.029 -7.664 -18.233 1.00 0.00 C ATOM 655 NZ LYS A 43 10.880 -7.136 -19.339 1.00 0.00 N ATOM 0 H LYS A 43 7.812 -6.020 -14.784 1.00 0.00 H new ATOM 0 HA LYS A 43 8.389 -4.813 -17.277 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.023 -6.499 -16.308 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.286 -6.078 -17.988 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.448 -7.452 -16.328 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.224 -8.371 -17.182 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.140 -7.917 -19.256 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.506 -6.254 -18.843 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.365 -7.260 -17.278 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.125 -8.748 -18.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.872 -7.398 -19.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.565 -7.542 -20.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.797 -6.100 -19.377 1.00 0.00 H new ATOM 669 N VAL A 44 5.960 -3.471 -15.537 1.00 0.00 N ATOM 670 CA VAL A 44 5.012 -2.349 -15.501 1.00 0.00 C ATOM 671 C VAL A 44 5.702 -1.047 -15.071 1.00 0.00 C ATOM 672 O VAL A 44 5.409 0.018 -15.610 1.00 0.00 O ATOM 673 CB VAL A 44 3.796 -2.650 -14.579 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.724 -4.145 -14.242 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.881 -1.855 -13.268 1.00 0.00 C ATOM 0 H VAL A 44 6.084 -3.955 -14.648 1.00 0.00 H new ATOM 0 HA VAL A 44 4.638 -2.219 -16.516 1.00 0.00 H new ATOM 0 HB VAL A 44 2.900 -2.352 -15.124 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.866 -4.331 -13.596 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.618 -4.721 -15.162 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.637 -4.447 -13.728 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.017 -2.087 -12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.794 -2.125 -12.737 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.892 -0.788 -13.490 1.00 0.00 H new ATOM 685 N MET A 45 6.608 -1.137 -14.088 1.00 0.00 N ATOM 686 CA MET A 45 7.307 0.055 -13.598 1.00 0.00 C ATOM 687 C MET A 45 8.323 0.561 -14.623 1.00 0.00 C ATOM 688 O MET A 45 8.435 1.765 -14.842 1.00 0.00 O ATOM 689 CB MET A 45 8.007 -0.218 -12.255 1.00 0.00 C ATOM 690 CG MET A 45 9.109 -1.269 -12.418 1.00 0.00 C ATOM 691 SD MET A 45 9.468 -2.014 -10.807 1.00 0.00 S ATOM 692 CE MET A 45 11.128 -2.627 -11.193 1.00 0.00 C ATOM 0 H MET A 45 6.870 -2.007 -13.624 1.00 0.00 H new ATOM 0 HA MET A 45 6.554 0.828 -13.444 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.435 0.707 -11.869 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.276 -0.561 -11.523 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.794 -2.037 -13.124 1.00 0.00 H new ATOM 0 HG3 MET A 45 10.008 -0.809 -12.827 1.00 0.00 H new ATOM 0 HE1 MET A 45 11.087 -3.702 -11.370 1.00 0.00 H new ATOM 0 HE2 MET A 45 11.502 -2.126 -12.086 1.00 0.00 H new ATOM 0 HE3 MET A 45 11.795 -2.422 -10.356 1.00 0.00 H new ATOM 702 N ARG A 46 9.052 -0.365 -15.259 1.00 0.00 N ATOM 703 CA ARG A 46 10.047 0.020 -16.268 1.00 0.00 C ATOM 704 C ARG A 46 9.362 0.616 -17.500 1.00 0.00 C ATOM 705 O ARG A 46 9.909 1.506 -18.155 1.00 0.00 O ATOM 706 CB ARG A 46 10.898 -1.183 -16.690 1.00 0.00 C ATOM 707 CG ARG A 46 11.658 -1.730 -15.475 1.00 0.00 C ATOM 708 CD ARG A 46 13.128 -1.310 -15.549 1.00 0.00 C ATOM 709 NE ARG A 46 13.987 -2.327 -14.936 1.00 0.00 N ATOM 710 CZ ARG A 46 14.323 -3.456 -15.579 1.00 0.00 C ATOM 711 NH1 ARG A 46 13.892 -3.691 -16.798 1.00 0.00 N ATOM 712 NH2 ARG A 46 15.090 -4.335 -14.986 1.00 0.00 N ATOM 0 H ARG A 46 8.974 -1.369 -15.097 1.00 0.00 H new ATOM 0 HA ARG A 46 10.698 0.771 -15.819 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.262 -1.960 -17.113 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.601 -0.888 -17.469 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.209 -1.355 -14.555 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.582 -2.817 -15.447 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.417 -1.161 -16.589 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.265 -0.356 -15.040 1.00 0.00 H new ATOM 0 HE ARG A 46 14.340 -2.172 -13.992 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.294 -3.011 -17.268 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.155 -4.553 -17.275 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.429 -4.160 -14.040 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.349 -5.195 -15.470 1.00 0.00 H new ATOM 726 N MET A 47 8.149 0.133 -17.795 1.00 0.00 N ATOM 727 CA MET A 47 7.385 0.643 -18.937 1.00 0.00 C ATOM 728 C MET A 47 6.751 1.994 -18.592 1.00 0.00 C ATOM 729 O MET A 47 6.592 2.855 -19.459 1.00 0.00 O ATOM 730 CB MET A 47 6.276 -0.340 -19.332 1.00 0.00 C ATOM 731 CG MET A 47 6.882 -1.529 -20.084 1.00 0.00 C ATOM 732 SD MET A 47 7.510 -0.981 -21.691 1.00 0.00 S ATOM 733 CE MET A 47 9.213 -1.554 -21.480 1.00 0.00 C ATOM 0 H MET A 47 7.681 -0.602 -17.265 1.00 0.00 H new ATOM 0 HA MET A 47 8.074 0.763 -19.773 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.753 -0.689 -18.442 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.539 0.162 -19.959 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.689 -1.969 -19.498 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.130 -2.305 -20.223 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.791 -1.314 -22.372 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.658 -1.061 -20.616 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.217 -2.633 -21.324 1.00 0.00 H new ATOM 743 N LEU A 48 6.399 2.170 -17.311 1.00 0.00 N ATOM 744 CA LEU A 48 5.791 3.420 -16.844 1.00 0.00 C ATOM 745 C LEU A 48 6.829 4.545 -16.822 1.00 0.00 C ATOM 746 O LEU A 48 6.496 5.715 -17.020 1.00 0.00 O ATOM 747 CB LEU A 48 5.220 3.241 -15.431 1.00 0.00 C ATOM 748 CG LEU A 48 3.722 2.905 -15.350 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.340 1.906 -16.450 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.417 2.289 -13.981 1.00 0.00 C ATOM 0 H LEU A 48 6.525 1.465 -16.584 1.00 0.00 H new ATOM 0 HA LEU A 48 4.987 3.681 -17.532 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.778 2.448 -14.932 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.398 4.158 -14.869 1.00 0.00 H new ATOM 0 HG LEU A 48 3.145 3.820 -15.486 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.277 1.677 -16.380 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.555 2.340 -17.426 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.917 0.990 -16.326 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.356 2.049 -13.918 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.003 1.379 -13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.675 3.000 -13.196 1.00 0.00 H new ATOM 762 N GLY A 49 8.090 4.170 -16.586 1.00 0.00 N ATOM 763 CA GLY A 49 9.186 5.145 -16.546 1.00 0.00 C ATOM 764 C GLY A 49 9.958 5.082 -15.223 1.00 0.00 C ATOM 765 O GLY A 49 10.502 6.091 -14.769 1.00 0.00 O ATOM 0 H GLY A 49 8.377 3.205 -16.421 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.869 4.958 -17.374 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.784 6.149 -16.685 1.00 0.00 H new ATOM 769 N GLN A 50 10.005 3.891 -14.611 1.00 0.00 N ATOM 770 CA GLN A 50 10.716 3.708 -13.342 1.00 0.00 C ATOM 771 C GLN A 50 11.655 2.508 -13.434 1.00 0.00 C ATOM 772 O GLN A 50 11.262 1.430 -13.881 1.00 0.00 O ATOM 773 CB GLN A 50 9.732 3.473 -12.188 1.00 0.00 C ATOM 774 CG GLN A 50 8.625 4.536 -12.209 1.00 0.00 C ATOM 775 CD GLN A 50 9.206 5.908 -11.867 1.00 0.00 C ATOM 776 OE1 GLN A 50 9.999 6.042 -10.934 1.00 0.00 O ATOM 777 NE2 GLN A 50 8.848 6.947 -12.573 1.00 0.00 N ATOM 0 H GLN A 50 9.562 3.046 -14.972 1.00 0.00 H new ATOM 0 HA GLN A 50 11.286 4.617 -13.148 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.293 2.479 -12.272 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.262 3.508 -11.236 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.158 4.566 -13.193 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.845 4.274 -11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.191 6.837 -13.346 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.225 7.869 -12.352 1.00 0.00 H new ATOM 786 N ASN A 51 12.900 2.707 -13.003 1.00 0.00 N ATOM 787 CA ASN A 51 13.895 1.630 -13.042 1.00 0.00 C ATOM 788 C ASN A 51 14.507 1.404 -11.652 1.00 0.00 C ATOM 789 O ASN A 51 15.695 1.660 -11.435 1.00 0.00 O ATOM 790 CB ASN A 51 15.011 1.976 -14.039 1.00 0.00 C ATOM 791 CG ASN A 51 14.457 1.970 -15.464 1.00 0.00 C ATOM 792 OD1 ASN A 51 13.608 2.792 -15.812 1.00 0.00 O ATOM 793 ND2 ASN A 51 14.894 1.085 -16.320 1.00 0.00 N ATOM 0 H ASN A 51 13.243 3.591 -12.627 1.00 0.00 H new ATOM 0 HA ASN A 51 13.393 0.716 -13.360 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.428 2.956 -13.806 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.824 1.255 -13.953 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.532 1.076 -17.274 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.597 0.403 -16.035 1.00 0.00 H new ATOM 800 N PRO A 52 13.702 0.917 -10.694 1.00 0.00 N ATOM 801 CA PRO A 52 14.176 0.654 -9.320 1.00 0.00 C ATOM 802 C PRO A 52 14.869 -0.709 -9.184 1.00 0.00 C ATOM 803 O PRO A 52 15.306 -1.301 -10.173 1.00 0.00 O ATOM 804 CB PRO A 52 12.873 0.684 -8.526 1.00 0.00 C ATOM 805 CG PRO A 52 11.752 0.347 -9.498 1.00 0.00 C ATOM 806 CD PRO A 52 12.275 0.602 -10.915 1.00 0.00 C ATOM 0 HA PRO A 52 14.927 1.370 -8.986 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.903 -0.036 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.715 1.666 -8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.446 -0.693 -9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.874 0.961 -9.298 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.149 -0.272 -11.554 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.750 1.427 -11.396 1.00 0.00 H new ATOM 814 N THR A 53 14.957 -1.197 -7.943 1.00 0.00 N ATOM 815 CA THR A 53 15.585 -2.492 -7.664 1.00 0.00 C ATOM 816 C THR A 53 14.495 -3.520 -7.323 1.00 0.00 C ATOM 817 O THR A 53 13.315 -3.170 -7.253 1.00 0.00 O ATOM 818 CB THR A 53 16.575 -2.361 -6.485 1.00 0.00 C ATOM 819 OG1 THR A 53 15.876 -2.454 -5.251 1.00 0.00 O ATOM 820 CG2 THR A 53 17.298 -1.014 -6.553 1.00 0.00 C ATOM 0 H THR A 53 14.602 -0.716 -7.117 1.00 0.00 H new ATOM 0 HA THR A 53 16.136 -2.823 -8.544 1.00 0.00 H new ATOM 0 HB THR A 53 17.305 -3.168 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.510 -2.372 -4.509 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.993 -0.932 -5.718 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.848 -0.943 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.568 -0.206 -6.499 1.00 0.00 H new ATOM 828 N PRO A 54 14.863 -4.790 -7.093 1.00 0.00 N ATOM 829 CA PRO A 54 13.874 -5.830 -6.744 1.00 0.00 C ATOM 830 C PRO A 54 13.399 -5.707 -5.294 1.00 0.00 C ATOM 831 O PRO A 54 12.282 -6.105 -4.960 1.00 0.00 O ATOM 832 CB PRO A 54 14.649 -7.121 -6.984 1.00 0.00 C ATOM 833 CG PRO A 54 16.128 -6.776 -6.888 1.00 0.00 C ATOM 834 CD PRO A 54 16.262 -5.272 -7.151 1.00 0.00 C ATOM 0 HA PRO A 54 12.957 -5.764 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.380 -7.875 -6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.413 -7.536 -7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.519 -7.030 -5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.704 -7.347 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.886 -4.787 -6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.716 -5.072 -8.121 1.00 0.00 H new ATOM 842 N GLU A 55 14.254 -5.123 -4.447 1.00 0.00 N ATOM 843 CA GLU A 55 13.910 -4.914 -3.042 1.00 0.00 C ATOM 844 C GLU A 55 13.035 -3.667 -2.899 1.00 0.00 C ATOM 845 O GLU A 55 12.113 -3.631 -2.081 1.00 0.00 O ATOM 846 CB GLU A 55 15.174 -4.739 -2.194 1.00 0.00 C ATOM 847 CG GLU A 55 15.967 -6.049 -2.172 1.00 0.00 C ATOM 848 CD GLU A 55 17.178 -5.898 -1.255 1.00 0.00 C ATOM 849 OE1 GLU A 55 18.219 -5.489 -1.741 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.047 -6.196 -0.079 1.00 0.00 O ATOM 0 H GLU A 55 15.182 -4.790 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 55 13.365 -5.791 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.789 -3.937 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.905 -4.449 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.333 -6.864 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.291 -6.307 -3.180 1.00 0.00 H new ATOM 857 N GLU A 56 13.337 -2.641 -3.710 1.00 0.00 N ATOM 858 CA GLU A 56 12.577 -1.389 -3.674 1.00 0.00 C ATOM 859 C GLU A 56 11.201 -1.559 -4.321 1.00 0.00 C ATOM 860 O GLU A 56 10.204 -1.043 -3.811 1.00 0.00 O ATOM 861 CB GLU A 56 13.337 -0.276 -4.402 1.00 0.00 C ATOM 862 CG GLU A 56 14.372 0.340 -3.455 1.00 0.00 C ATOM 863 CD GLU A 56 15.130 1.453 -4.177 1.00 0.00 C ATOM 864 OE1 GLU A 56 14.561 2.519 -4.345 1.00 0.00 O ATOM 865 OE2 GLU A 56 16.268 1.221 -4.549 1.00 0.00 O ATOM 0 H GLU A 56 14.096 -2.656 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 56 12.446 -1.118 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.831 -0.677 -5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.641 0.490 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.877 0.739 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.069 -0.426 -3.114 1.00 0.00 H new ATOM 872 N LEU A 57 11.150 -2.283 -5.447 1.00 0.00 N ATOM 873 CA LEU A 57 9.878 -2.504 -6.142 1.00 0.00 C ATOM 874 C LEU A 57 8.907 -3.295 -5.262 1.00 0.00 C ATOM 875 O LEU A 57 7.707 -3.027 -5.256 1.00 0.00 O ATOM 876 CB LEU A 57 10.095 -3.243 -7.471 1.00 0.00 C ATOM 877 CG LEU A 57 10.269 -4.767 -7.382 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.896 -5.448 -7.315 1.00 0.00 C ATOM 879 CD2 LEU A 57 11.017 -5.260 -8.621 1.00 0.00 C ATOM 0 H LEU A 57 11.960 -2.718 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 57 9.446 -1.526 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.246 -3.033 -8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.978 -2.825 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 57 10.835 -5.013 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.028 -6.528 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.358 -5.096 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.325 -5.204 -8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.144 -6.341 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.446 -5.009 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.996 -4.782 -8.669 1.00 0.00 H new ATOM 891 N GLN A 58 9.437 -4.266 -4.511 1.00 0.00 N ATOM 892 CA GLN A 58 8.595 -5.074 -3.627 1.00 0.00 C ATOM 893 C GLN A 58 8.110 -4.244 -2.434 1.00 0.00 C ATOM 894 O GLN A 58 7.055 -4.525 -1.868 1.00 0.00 O ATOM 895 CB GLN A 58 9.357 -6.299 -3.109 1.00 0.00 C ATOM 896 CG GLN A 58 8.829 -7.565 -3.798 1.00 0.00 C ATOM 897 CD GLN A 58 7.391 -7.840 -3.351 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.147 -8.160 -2.187 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.415 -7.736 -4.216 1.00 0.00 N ATOM 0 H GLN A 58 10.428 -4.508 -4.497 1.00 0.00 H new ATOM 0 HA GLN A 58 7.737 -5.409 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.423 -6.185 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.237 -6.384 -2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.865 -7.443 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.465 -8.416 -3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.614 -7.471 -5.181 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.455 -7.920 -3.926 1.00 0.00 H new ATOM 908 N GLU A 59 8.886 -3.217 -2.062 1.00 0.00 N ATOM 909 CA GLU A 59 8.517 -2.350 -0.939 1.00 0.00 C ATOM 910 C GLU A 59 7.282 -1.515 -1.287 1.00 0.00 C ATOM 911 O GLU A 59 6.337 -1.427 -0.499 1.00 0.00 O ATOM 912 CB GLU A 59 9.671 -1.407 -0.580 1.00 0.00 C ATOM 913 CG GLU A 59 10.617 -2.100 0.405 1.00 0.00 C ATOM 914 CD GLU A 59 11.859 -1.238 0.615 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.776 -1.348 -0.184 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.876 -0.480 1.571 1.00 0.00 O ATOM 0 H GLU A 59 9.764 -2.969 -2.518 1.00 0.00 H new ATOM 0 HA GLU A 59 8.295 -2.990 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.214 -1.122 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.280 -0.490 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.111 -2.264 1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.903 -3.080 0.022 1.00 0.00 H new ATOM 923 N MET A 60 7.298 -0.907 -2.480 1.00 0.00 N ATOM 924 CA MET A 60 6.168 -0.083 -2.929 1.00 0.00 C ATOM 925 C MET A 60 4.931 -0.945 -3.204 1.00 0.00 C ATOM 926 O MET A 60 3.799 -0.467 -3.111 1.00 0.00 O ATOM 927 CB MET A 60 6.532 0.709 -4.195 1.00 0.00 C ATOM 928 CG MET A 60 6.944 -0.248 -5.318 1.00 0.00 C ATOM 929 SD MET A 60 7.107 0.671 -6.870 1.00 0.00 S ATOM 930 CE MET A 60 7.010 -0.754 -7.981 1.00 0.00 C ATOM 0 H MET A 60 8.070 -0.968 -3.144 1.00 0.00 H new ATOM 0 HA MET A 60 5.939 0.617 -2.126 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.681 1.310 -4.514 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.347 1.400 -3.979 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.889 -0.732 -5.069 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.201 -1.038 -5.428 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.602 -0.559 -8.875 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.398 -1.638 -7.474 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.971 -0.925 -8.264 1.00 0.00 H new ATOM 940 N ILE A 61 5.158 -2.220 -3.536 1.00 0.00 N ATOM 941 CA ILE A 61 4.054 -3.141 -3.808 1.00 0.00 C ATOM 942 C ILE A 61 3.494 -3.695 -2.499 1.00 0.00 C ATOM 943 O ILE A 61 2.284 -3.784 -2.323 1.00 0.00 O ATOM 944 CB ILE A 61 4.526 -4.301 -4.696 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.864 -3.771 -6.097 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.425 -5.361 -4.803 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.676 -2.990 -6.670 1.00 0.00 C ATOM 0 H ILE A 61 6.087 -2.633 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 61 3.271 -2.591 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 61 5.414 -4.751 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.742 -3.127 -6.048 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.115 -4.601 -6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.769 -6.180 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.190 -5.743 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.532 -4.915 -5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.929 -2.620 -7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.808 -3.646 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.445 -2.148 -6.017 1.00 0.00 H new ATOM 959 N ASP A 62 4.392 -4.066 -1.587 1.00 0.00 N ATOM 960 CA ASP A 62 3.984 -4.614 -0.290 1.00 0.00 C ATOM 961 C ASP A 62 3.132 -3.607 0.491 1.00 0.00 C ATOM 962 O ASP A 62 2.132 -3.979 1.108 1.00 0.00 O ATOM 963 CB ASP A 62 5.214 -4.982 0.548 1.00 0.00 C ATOM 964 CG ASP A 62 4.808 -5.936 1.667 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.809 -7.133 1.426 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.501 -5.457 2.747 1.00 0.00 O ATOM 0 H ASP A 62 5.401 -3.999 -1.719 1.00 0.00 H new ATOM 0 HA ASP A 62 3.391 -5.508 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.970 -5.448 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.662 -4.082 0.969 1.00 0.00 H new ATOM 971 N GLU A 63 3.542 -2.332 0.467 1.00 0.00 N ATOM 972 CA GLU A 63 2.809 -1.283 1.185 1.00 0.00 C ATOM 973 C GLU A 63 1.401 -1.081 0.609 1.00 0.00 C ATOM 974 O GLU A 63 0.449 -0.842 1.353 1.00 0.00 O ATOM 975 CB GLU A 63 3.577 0.045 1.136 1.00 0.00 C ATOM 976 CG GLU A 63 3.667 0.561 -0.305 1.00 0.00 C ATOM 977 CD GLU A 63 4.437 1.878 -0.332 1.00 0.00 C ATOM 978 OE1 GLU A 63 5.644 1.841 -0.153 1.00 0.00 O ATOM 979 OE2 GLU A 63 3.808 2.904 -0.530 1.00 0.00 O ATOM 0 H GLU A 63 4.367 -2.005 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 63 2.714 -1.609 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.077 0.784 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.579 -0.092 1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.165 -0.176 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.667 0.705 -0.713 1.00 0.00 H new ATOM 986 N VAL A 64 1.280 -1.177 -0.719 1.00 0.00 N ATOM 987 CA VAL A 64 -0.020 -0.998 -1.375 1.00 0.00 C ATOM 988 C VAL A 64 -0.849 -2.290 -1.327 1.00 0.00 C ATOM 989 O VAL A 64 -2.079 -2.240 -1.249 1.00 0.00 O ATOM 990 CB VAL A 64 0.155 -0.543 -2.835 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.896 -1.610 -3.644 1.00 0.00 C ATOM 992 CG2 VAL A 64 -1.220 -0.299 -3.463 1.00 0.00 C ATOM 0 H VAL A 64 2.054 -1.375 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.555 -0.222 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 64 0.738 0.378 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.011 -1.271 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.880 -1.781 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.326 -2.539 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.096 0.023 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.800 -1.221 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.744 0.475 -2.902 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.171 -3.443 -1.371 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.863 -4.729 -1.325 1.00 0.00 C ATOM 1004 C ASP A 65 -1.277 -5.040 0.113 1.00 0.00 C ATOM 1005 O ASP A 65 -0.460 -5.468 0.933 1.00 0.00 O ATOM 1006 CB ASP A 65 0.038 -5.854 -1.855 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.713 -6.665 -2.907 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.588 -7.428 -2.531 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.401 -6.512 -4.077 1.00 0.00 O ATOM 0 H ASP A 65 0.845 -3.509 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.748 -4.666 -1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.946 -5.432 -2.287 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.347 -6.502 -1.035 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.556 -4.804 0.407 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.088 -5.044 1.754 1.00 0.00 C ATOM 1016 C GLU A 66 -3.125 -6.540 2.059 1.00 0.00 C ATOM 1017 O GLU A 66 -2.765 -6.974 3.155 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.509 -4.479 1.888 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.538 -3.025 1.409 1.00 0.00 C ATOM 1020 CD GLU A 66 -5.948 -2.463 1.561 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.736 -2.637 0.647 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.219 -1.865 2.591 1.00 0.00 O ATOM 0 H GLU A 66 -3.240 -4.450 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.429 -4.541 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.205 -5.078 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.836 -4.536 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.833 -2.427 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.224 -2.969 0.367 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.566 -7.321 1.073 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.654 -8.776 1.229 1.00 0.00 C ATOM 1031 C ASP A 67 -2.286 -9.432 1.022 1.00 0.00 C ATOM 1032 O ASP A 67 -1.943 -10.396 1.711 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.665 -9.378 0.237 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.450 -8.805 -1.166 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.953 -7.726 -1.431 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.786 -9.455 -1.952 1.00 0.00 O ATOM 0 H ASP A 67 -3.867 -6.975 0.162 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.994 -8.974 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.558 -10.462 0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.681 -9.166 0.571 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.514 -8.909 0.064 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.192 -9.458 -0.231 1.00 0.00 C ATOM 1043 C GLY A 68 -0.325 -10.818 -0.908 1.00 0.00 C ATOM 1044 O GLY A 68 0.306 -11.795 -0.500 1.00 0.00 O ATOM 0 H GLY A 68 -1.781 -8.113 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.358 -8.774 -0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.382 -9.557 0.690 1.00 0.00 H new ATOM 1048 N SER A 69 -1.170 -10.866 -1.940 1.00 0.00 N ATOM 1049 CA SER A 69 -1.412 -12.112 -2.678 1.00 0.00 C ATOM 1050 C SER A 69 -0.383 -12.336 -3.798 1.00 0.00 C ATOM 1051 O SER A 69 -0.507 -13.289 -4.573 1.00 0.00 O ATOM 1052 CB SER A 69 -2.813 -12.094 -3.299 1.00 0.00 C ATOM 1053 OG SER A 69 -2.945 -10.947 -4.137 1.00 0.00 O ATOM 0 H SER A 69 -1.696 -10.063 -2.284 1.00 0.00 H new ATOM 0 HA SER A 69 -1.321 -12.926 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.978 -13.002 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.570 -12.074 -2.515 1.00 0.00 H new ATOM 0 HG SER A 69 -3.257 -10.186 -3.604 1.00 0.00 H new ATOM 1059 N GLY A 70 0.619 -11.455 -3.897 1.00 0.00 N ATOM 1060 CA GLY A 70 1.630 -11.580 -4.945 1.00 0.00 C ATOM 1061 C GLY A 70 1.072 -11.112 -6.292 1.00 0.00 C ATOM 1062 O GLY A 70 1.610 -11.450 -7.348 1.00 0.00 O ATOM 0 H GLY A 70 0.748 -10.659 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.507 -10.988 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.956 -12.617 -5.021 1.00 0.00 H new ATOM 1066 N THR A 71 -0.014 -10.327 -6.239 1.00 0.00 N ATOM 1067 CA THR A 71 -0.645 -9.809 -7.450 1.00 0.00 C ATOM 1068 C THR A 71 -1.212 -8.417 -7.183 1.00 0.00 C ATOM 1069 O THR A 71 -1.867 -8.184 -6.164 1.00 0.00 O ATOM 1070 CB THR A 71 -1.780 -10.735 -7.921 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.881 -10.654 -7.019 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.278 -12.181 -7.983 1.00 0.00 C ATOM 0 H THR A 71 -0.468 -10.041 -5.372 1.00 0.00 H new ATOM 0 HA THR A 71 0.113 -9.759 -8.232 1.00 0.00 H new ATOM 0 HB THR A 71 -2.104 -10.420 -8.913 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.563 -10.786 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.086 -12.832 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.445 -12.247 -8.683 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.946 -12.494 -6.993 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.947 -7.491 -8.104 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.431 -6.121 -7.949 1.00 0.00 C ATOM 1082 C VAL A 72 -2.740 -5.925 -8.705 1.00 0.00 C ATOM 1083 O VAL A 72 -2.803 -6.105 -9.923 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.408 -5.106 -8.474 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.781 -3.703 -7.983 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.990 -5.466 -7.963 1.00 0.00 C ATOM 0 H VAL A 72 -0.408 -7.661 -8.953 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.588 -5.955 -6.883 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.411 -5.126 -9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.054 -2.982 -8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.773 -3.441 -8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.781 -3.687 -6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.713 -4.742 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.994 -5.450 -6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.260 -6.463 -8.313 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.775 -5.526 -7.971 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.080 -5.270 -8.578 1.00 0.00 C ATOM 1098 C ASP A 73 -5.093 -3.844 -9.117 1.00 0.00 C ATOM 1099 O ASP A 73 -4.236 -3.039 -8.757 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.207 -5.427 -7.547 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.097 -6.785 -6.855 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -6.371 -7.783 -7.501 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -5.741 -6.804 -5.687 1.00 0.00 O ATOM 0 H ASP A 73 -3.738 -5.374 -6.963 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.244 -5.990 -9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.149 -4.628 -6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.176 -5.337 -8.039 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.061 -3.527 -9.979 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.135 -2.175 -10.538 1.00 0.00 C ATOM 1110 C PHE A 74 -6.279 -1.137 -9.420 1.00 0.00 C ATOM 1111 O PHE A 74 -5.785 -0.014 -9.540 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.302 -2.042 -11.521 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.129 -0.786 -12.337 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -5.896 -0.507 -12.936 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.199 0.098 -12.492 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.734 0.656 -13.689 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.038 1.264 -13.247 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.805 1.545 -13.845 1.00 0.00 C ATOM 0 H PHE A 74 -6.787 -4.168 -10.299 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.207 -1.992 -11.079 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.341 -2.912 -12.176 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.247 -2.009 -10.979 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.070 -1.192 -12.815 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.150 -0.119 -12.029 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.782 0.871 -14.152 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.865 1.947 -13.368 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.679 2.446 -14.426 1.00 0.00 H new ATOM 1128 N ASP A 75 -6.933 -1.532 -8.320 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.100 -0.633 -7.178 1.00 0.00 C ATOM 1130 C ASP A 75 -5.744 -0.392 -6.510 1.00 0.00 C ATOM 1131 O ASP A 75 -5.405 0.739 -6.162 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.073 -1.226 -6.152 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.780 -0.098 -5.407 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -8.202 0.416 -4.461 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.888 0.237 -5.792 1.00 0.00 O ATOM 0 H ASP A 75 -7.349 -2.456 -8.200 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.508 0.310 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.805 -1.859 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.533 -1.859 -5.447 1.00 0.00 H new ATOM 1140 N GLU A 76 -4.963 -1.473 -6.362 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.626 -1.380 -5.762 1.00 0.00 C ATOM 1142 C GLU A 76 -2.664 -0.685 -6.736 1.00 0.00 C ATOM 1143 O GLU A 76 -1.731 0.007 -6.326 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.077 -2.778 -5.427 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.065 -3.526 -4.518 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.559 -4.944 -4.226 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.049 -5.579 -5.135 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.699 -5.381 -3.097 1.00 0.00 O ATOM 0 H GLU A 76 -5.233 -2.414 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.707 -0.801 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.914 -3.343 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.110 -2.689 -4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.193 -2.980 -3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.043 -3.574 -4.996 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.916 -0.881 -8.036 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.094 -0.285 -9.094 1.00 0.00 C ATOM 1157 C PHE A 77 -2.217 1.241 -9.078 1.00 0.00 C ATOM 1158 O PHE A 77 -1.215 1.958 -9.137 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.567 -0.812 -10.459 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.417 -1.032 -11.420 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.105 -1.260 -10.965 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.684 -1.020 -12.792 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.924 -1.468 -11.888 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.653 -1.234 -13.711 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.651 -1.456 -13.261 1.00 0.00 C ATOM 0 H PHE A 77 -3.688 -1.452 -8.381 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.052 -0.557 -8.923 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.104 -1.750 -10.318 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.272 -0.104 -10.895 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.106 -1.274 -9.906 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.690 -0.845 -13.143 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.932 -1.638 -11.541 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.864 -1.228 -14.770 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.448 -1.618 -13.972 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.463 1.726 -9.000 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.728 3.168 -8.979 1.00 0.00 C ATOM 1177 C LEU A 78 -3.409 3.769 -7.608 1.00 0.00 C ATOM 1178 O LEU A 78 -3.047 4.942 -7.506 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.194 3.448 -9.323 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.485 3.696 -10.809 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.676 2.722 -11.671 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.978 3.489 -11.071 1.00 0.00 C ATOM 0 H LEU A 78 -4.299 1.143 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.083 3.631 -9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.796 2.603 -8.988 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.523 4.318 -8.755 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.203 4.717 -11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.889 2.905 -12.724 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.612 2.869 -11.485 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.951 1.698 -11.418 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.190 3.664 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.255 2.468 -10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.554 4.188 -10.464 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.539 2.953 -6.556 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.249 3.414 -5.196 1.00 0.00 C ATOM 1196 C VAL A 79 -1.765 3.779 -5.085 1.00 0.00 C ATOM 1197 O VAL A 79 -1.407 4.810 -4.517 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.608 2.318 -4.175 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.640 2.352 -2.991 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.034 2.546 -3.667 1.00 0.00 C ATOM 0 H VAL A 79 -3.840 1.980 -6.619 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.851 4.297 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.536 1.346 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.908 1.571 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.623 2.185 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.698 3.324 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.291 1.772 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.098 3.524 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.730 2.505 -4.505 1.00 0.00 H new ATOM 1210 N MET A 80 -0.912 2.912 -5.642 1.00 0.00 N ATOM 1211 CA MET A 80 0.542 3.126 -5.627 1.00 0.00 C ATOM 1212 C MET A 80 0.911 4.560 -6.042 1.00 0.00 C ATOM 1213 O MET A 80 1.934 5.090 -5.605 1.00 0.00 O ATOM 1214 CB MET A 80 1.228 2.147 -6.587 1.00 0.00 C ATOM 1215 CG MET A 80 2.382 1.440 -5.871 1.00 0.00 C ATOM 1216 SD MET A 80 3.630 0.940 -7.084 1.00 0.00 S ATOM 1217 CE MET A 80 2.590 -0.195 -8.038 1.00 0.00 C ATOM 0 H MET A 80 -1.203 2.054 -6.110 1.00 0.00 H new ATOM 0 HA MET A 80 0.882 2.959 -4.605 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.508 1.413 -6.948 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.603 2.682 -7.460 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.826 2.105 -5.130 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.011 0.567 -5.334 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.216 -0.794 -8.699 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.049 -0.852 -7.357 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.878 0.377 -8.633 1.00 0.00 H new ATOM 1227 N MET A 81 0.071 5.181 -6.887 1.00 0.00 N ATOM 1228 CA MET A 81 0.331 6.553 -7.344 1.00 0.00 C ATOM 1229 C MET A 81 0.300 7.523 -6.166 1.00 0.00 C ATOM 1230 O MET A 81 1.276 8.229 -5.904 1.00 0.00 O ATOM 1231 CB MET A 81 -0.709 6.991 -8.385 1.00 0.00 C ATOM 1232 CG MET A 81 -0.172 6.719 -9.784 1.00 0.00 C ATOM 1233 SD MET A 81 1.122 7.920 -10.184 1.00 0.00 S ATOM 1234 CE MET A 81 2.430 6.720 -10.535 1.00 0.00 C ATOM 0 H MET A 81 -0.780 4.762 -7.261 1.00 0.00 H new ATOM 0 HA MET A 81 1.320 6.568 -7.802 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.643 6.451 -8.231 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.931 8.052 -8.269 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.228 5.707 -9.840 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.980 6.784 -10.513 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.403 7.200 -10.426 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.356 5.886 -9.837 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.321 6.350 -11.555 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.831 7.542 -5.455 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.983 8.424 -4.293 1.00 0.00 C ATOM 1246 C VAL A 82 -0.029 8.002 -3.171 1.00 0.00 C ATOM 1247 O VAL A 82 0.439 8.838 -2.399 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.425 8.402 -3.766 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.365 8.967 -4.833 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.840 6.965 -3.433 1.00 0.00 C ATOM 0 H VAL A 82 -1.646 6.964 -5.660 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.741 9.437 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.484 9.010 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.389 8.952 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.078 9.993 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.298 8.359 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.864 6.959 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.778 6.351 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.174 6.561 -2.671 1.00 0.00 H new ATOM 1260 N ARG A 83 0.259 6.695 -3.100 1.00 0.00 N ATOM 1261 CA ARG A 83 1.169 6.164 -2.080 1.00 0.00 C ATOM 1262 C ARG A 83 2.548 6.812 -2.213 1.00 0.00 C ATOM 1263 O ARG A 83 3.194 7.134 -1.212 1.00 0.00 O ATOM 1264 CB ARG A 83 1.321 4.646 -2.232 1.00 0.00 C ATOM 1265 CG ARG A 83 0.020 3.951 -1.821 1.00 0.00 C ATOM 1266 CD ARG A 83 0.107 3.523 -0.353 1.00 0.00 C ATOM 1267 NE ARG A 83 -1.202 3.089 0.141 1.00 0.00 N ATOM 1268 CZ ARG A 83 -1.355 2.567 1.365 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -0.327 2.431 2.170 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -2.543 2.190 1.764 1.00 0.00 N ATOM 0 H ARG A 83 -0.123 5.992 -3.733 1.00 0.00 H new ATOM 0 HA ARG A 83 0.747 6.391 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.566 4.397 -3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.145 4.290 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.825 4.625 -1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.155 3.081 -2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.827 2.712 -0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.472 4.353 0.252 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.018 3.187 -0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.601 2.724 1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.457 2.032 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.346 2.294 1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.666 1.792 2.695 1.00 0.00 H new