USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 869 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 118 ASN : amide:sc= -3.54! C(o=-9.5!,f=-11!) USER MOD Set 1.2: A 127 HIS : no HD1:sc= -5.97 K(o=-9.5,f=-10) USER MOD Set 2.1: A 21 CYS SG : rot -10:sc= -2.8 USER MOD Set 2.2: A 23 GLN : amide:sc= -1.68 K(o=-4.5,f=-13!) USER MOD Set 3.1: A 17 THR OG1 : rot 160:sc= 0.0883 USER MOD Set 3.2: A 47 HIS : no HD1:sc= -3.09! K(o=-5.9!,f=-3.4) USER MOD Set 3.3: A 48 ASN : amide:sc= -1.85 K(o=-5.9,f=-3.4) USER MOD Set 3.4: A 51 MET CE :methyl -159:sc= -1.09! (180deg=-3.54!) USER MOD Single : A 7 SER OG : rot 95:sc= -0.351 USER MOD Single : A 8 TYR OH : rot -169:sc= 0.0955 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 19 SER OG : rot 58:sc= -10.7! USER MOD Single : A 20 SER OG : rot 15:sc= 0.389 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 40 GLN : amide:sc= -0.0492 X(o=-0.049,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -3.5! USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 141:sc= -0.433 (180deg=-1.68!) USER MOD Single : A 69 MET CE :methyl -167:sc= -6.34! (180deg=-6.82!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.515 K(o=-0.52,f=0) USER MOD Single : A 79 CYS SG : rot 92:sc= -1.79 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 140:sc= -1.4 USER MOD Single : A 83 THR OG1 : rot -123:sc= 1.23 USER MOD Single : A 86 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 101:sc= 1.21 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.023 USER MOD Single : A 94 CYS SG : rot 170:sc= -2.71! USER MOD Single : A 96 THR OG1 : rot 94:sc= -1.91 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.566 K(o=-0.57,f=-1.1) USER MOD Single : A 115 TYR OH : rot 15:sc= -2.21 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 166:sc= -2.34! USER MOD Single : A 121 ASN : amide:sc= -0.594 X(o=-0.59,f=-0.14) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 4.265 -8.127 -3.664 1.00 0.00 N ATOM 101 CA VAL A 6 3.550 -7.753 -2.451 1.00 0.00 C ATOM 102 C VAL A 6 3.478 -8.936 -1.487 1.00 0.00 C ATOM 103 O VAL A 6 3.372 -10.087 -1.911 1.00 0.00 O ATOM 104 CB VAL A 6 2.129 -7.230 -2.769 1.00 0.00 C ATOM 105 CG1 VAL A 6 1.190 -7.408 -1.590 1.00 0.00 C ATOM 106 CG2 VAL A 6 2.186 -5.770 -3.185 1.00 0.00 C ATOM 0 HA VAL A 6 4.104 -6.944 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 6 1.735 -7.820 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.202 -7.029 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.118 -8.466 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.575 -6.857 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.179 -5.415 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.610 -5.177 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.809 -5.669 -4.073 1.00 0.00 H new ATOM 116 N SER A 7 3.550 -8.646 -0.191 1.00 0.00 N ATOM 117 CA SER A 7 3.509 -9.691 0.827 1.00 0.00 C ATOM 118 C SER A 7 2.082 -9.984 1.281 1.00 0.00 C ATOM 119 O SER A 7 1.596 -11.106 1.127 1.00 0.00 O ATOM 120 CB SER A 7 4.373 -9.300 2.028 1.00 0.00 C ATOM 121 OG SER A 7 4.600 -7.903 2.061 1.00 0.00 O ATOM 0 H SER A 7 3.637 -7.699 0.178 1.00 0.00 H new ATOM 0 HA SER A 7 3.909 -10.600 0.378 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.883 -9.613 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.327 -9.825 1.980 1.00 0.00 H new ATOM 0 HG SER A 7 3.938 -7.478 2.646 1.00 0.00 H new ATOM 127 N TYR A 8 1.411 -8.987 1.852 1.00 0.00 N ATOM 128 CA TYR A 8 0.048 -9.177 2.330 1.00 0.00 C ATOM 129 C TYR A 8 -0.882 -8.072 1.853 1.00 0.00 C ATOM 130 O TYR A 8 -0.495 -6.906 1.790 1.00 0.00 O ATOM 131 CB TYR A 8 0.020 -9.243 3.850 1.00 0.00 C ATOM 132 CG TYR A 8 1.166 -10.018 4.461 1.00 0.00 C ATOM 133 CD1 TYR A 8 1.076 -11.391 4.653 1.00 0.00 C ATOM 134 CD2 TYR A 8 2.334 -9.377 4.848 1.00 0.00 C ATOM 135 CE1 TYR A 8 2.120 -12.103 5.214 1.00 0.00 C ATOM 136 CE2 TYR A 8 3.383 -10.080 5.408 1.00 0.00 C ATOM 137 CZ TYR A 8 3.270 -11.442 5.589 1.00 0.00 C ATOM 138 OH TYR A 8 4.313 -12.146 6.149 1.00 0.00 O ATOM 0 H TYR A 8 1.786 -8.049 1.993 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.307 -10.121 1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.031 -8.228 4.246 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.919 -9.698 4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.176 -11.911 4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.425 -8.310 4.709 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.035 -13.170 5.357 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.286 -9.566 5.702 1.00 0.00 H new ATOM 0 HH TYR A 8 4.971 -11.519 6.515 1.00 0.00 H new ATOM 148 N VAL A 9 -2.114 -8.446 1.514 1.00 0.00 N ATOM 149 CA VAL A 9 -3.098 -7.464 1.040 1.00 0.00 C ATOM 150 C VAL A 9 -4.526 -7.838 1.414 1.00 0.00 C ATOM 151 O VAL A 9 -5.142 -8.658 0.739 1.00 0.00 O ATOM 152 CB VAL A 9 -3.049 -7.296 -0.493 1.00 0.00 C ATOM 153 CG1 VAL A 9 -3.293 -5.847 -0.882 1.00 0.00 C ATOM 154 CG2 VAL A 9 -1.728 -7.791 -1.052 1.00 0.00 C ATOM 0 H VAL A 9 -2.455 -9.406 1.556 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.825 -6.531 1.533 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.844 -7.903 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.254 -5.750 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.274 -5.535 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.526 -5.216 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.719 -7.661 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.910 -7.221 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.604 -8.847 -0.812 1.00 0.00 H new ATOM 164 N GLU A 10 -5.069 -7.229 2.467 1.00 0.00 N ATOM 165 CA GLU A 10 -6.440 -7.526 2.871 1.00 0.00 C ATOM 166 C GLU A 10 -7.342 -6.313 2.714 1.00 0.00 C ATOM 167 O GLU A 10 -6.969 -5.193 3.066 1.00 0.00 O ATOM 168 CB GLU A 10 -6.491 -8.014 4.320 1.00 0.00 C ATOM 169 CG GLU A 10 -5.918 -7.019 5.312 1.00 0.00 C ATOM 170 CD GLU A 10 -5.880 -7.561 6.728 1.00 0.00 C ATOM 171 OE1 GLU A 10 -6.751 -7.174 7.535 1.00 0.00 O ATOM 172 OE2 GLU A 10 -4.979 -8.372 7.029 1.00 0.00 O ATOM 0 H GLU A 10 -4.590 -6.539 3.046 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.802 -8.317 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.526 -8.227 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.942 -8.952 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.909 -6.746 5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.515 -6.107 5.292 1.00 0.00 H new ATOM 179 N VAL A 11 -8.549 -6.553 2.214 1.00 0.00 N ATOM 180 CA VAL A 11 -9.529 -5.492 2.046 1.00 0.00 C ATOM 181 C VAL A 11 -10.367 -5.407 3.310 1.00 0.00 C ATOM 182 O VAL A 11 -10.520 -6.397 4.020 1.00 0.00 O ATOM 183 CB VAL A 11 -10.443 -5.724 0.818 1.00 0.00 C ATOM 184 CG1 VAL A 11 -11.598 -4.730 0.805 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.643 -5.626 -0.475 1.00 0.00 C ATOM 0 H VAL A 11 -8.870 -7.475 1.918 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.997 -4.557 1.870 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.858 -6.729 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.226 -4.913 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.192 -4.850 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.204 -3.715 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.304 -5.792 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.195 -4.635 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.856 -6.381 -0.474 1.00 0.00 H new ATOM 195 N ILE A 12 -10.882 -4.225 3.612 1.00 0.00 N ATOM 196 CA ILE A 12 -11.665 -4.046 4.823 1.00 0.00 C ATOM 197 C ILE A 12 -12.981 -3.320 4.566 1.00 0.00 C ATOM 198 O ILE A 12 -12.997 -2.210 4.048 1.00 0.00 O ATOM 199 CB ILE A 12 -10.850 -3.263 5.871 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.682 -4.113 6.371 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.731 -2.835 7.030 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.427 -3.954 5.547 1.00 0.00 C ATOM 0 H ILE A 12 -10.774 -3.386 3.043 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.902 -5.043 5.196 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.453 -2.364 5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.465 -3.846 7.405 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.979 -5.162 6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.134 -2.284 7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.533 -2.196 6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.160 -3.717 7.506 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.639 -4.585 5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.628 -4.249 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.106 -2.913 5.570 1.00 0.00 H new ATOM 214 N LYS A 13 -14.087 -3.950 4.950 1.00 0.00 N ATOM 215 CA LYS A 13 -15.404 -3.342 4.777 1.00 0.00 C ATOM 216 C LYS A 13 -16.043 -3.012 6.127 1.00 0.00 C ATOM 217 O LYS A 13 -16.365 -3.905 6.909 1.00 0.00 O ATOM 218 CB LYS A 13 -16.324 -4.271 3.982 1.00 0.00 C ATOM 219 CG LYS A 13 -17.758 -3.781 3.875 1.00 0.00 C ATOM 220 CD LYS A 13 -18.416 -4.265 2.591 1.00 0.00 C ATOM 221 CE LYS A 13 -18.996 -3.111 1.791 1.00 0.00 C ATOM 222 NZ LYS A 13 -20.292 -3.473 1.154 1.00 0.00 N ATOM 0 H LYS A 13 -14.099 -4.875 5.380 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.269 -2.413 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.918 -4.395 2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.322 -5.255 4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.329 -4.133 4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.775 -2.692 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.683 -4.797 1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.207 -4.975 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.141 -2.252 2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.285 -2.809 1.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.655 -2.659 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.149 -4.277 0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.979 -3.737 1.889 1.00 0.00 H new ATOM 236 N ASN A 14 -16.234 -1.720 6.383 1.00 0.00 N ATOM 237 CA ASN A 14 -16.849 -1.257 7.626 1.00 0.00 C ATOM 238 C ASN A 14 -15.975 -1.573 8.838 1.00 0.00 C ATOM 239 O ASN A 14 -16.485 -1.852 9.923 1.00 0.00 O ATOM 240 CB ASN A 14 -18.234 -1.889 7.797 1.00 0.00 C ATOM 241 CG ASN A 14 -19.347 -0.859 7.770 1.00 0.00 C ATOM 242 OD1 ASN A 14 -19.364 0.074 8.573 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.285 -1.025 6.844 1.00 0.00 N ATOM 0 H ASN A 14 -15.970 -0.971 5.743 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.952 -0.174 7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.398 -2.618 7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.268 -2.432 8.741 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -21.059 -0.364 6.778 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.231 -1.813 6.199 1.00 0.00 H new ATOM 250 N GLY A 15 -14.662 -1.531 8.650 1.00 0.00 N ATOM 251 CA GLY A 15 -13.750 -1.817 9.739 1.00 0.00 C ATOM 252 C GLY A 15 -13.559 -3.302 9.940 1.00 0.00 C ATOM 253 O GLY A 15 -13.210 -3.752 11.031 1.00 0.00 O ATOM 0 H GLY A 15 -14.213 -1.304 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.786 -1.351 9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.132 -1.373 10.658 1.00 0.00 H new ATOM 257 N GLU A 16 -13.795 -4.065 8.880 1.00 0.00 N ATOM 258 CA GLU A 16 -13.655 -5.508 8.930 1.00 0.00 C ATOM 259 C GLU A 16 -12.517 -5.969 8.021 1.00 0.00 C ATOM 260 O GLU A 16 -11.491 -5.304 7.917 1.00 0.00 O ATOM 261 CB GLU A 16 -14.984 -6.166 8.539 1.00 0.00 C ATOM 262 CG GLU A 16 -15.253 -7.476 9.264 1.00 0.00 C ATOM 263 CD GLU A 16 -16.660 -7.554 9.825 1.00 0.00 C ATOM 264 OE1 GLU A 16 -16.799 -7.816 11.039 1.00 0.00 O ATOM 265 OE2 GLU A 16 -17.620 -7.353 9.052 1.00 0.00 O ATOM 0 H GLU A 16 -14.086 -3.702 7.972 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.404 -5.811 9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.798 -5.472 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.987 -6.348 7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.093 -8.307 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.535 -7.592 10.076 1.00 0.00 H new ATOM 272 N THR A 17 -12.705 -7.106 7.374 1.00 0.00 N ATOM 273 CA THR A 17 -11.701 -7.656 6.470 1.00 0.00 C ATOM 274 C THR A 17 -12.353 -8.539 5.410 1.00 0.00 C ATOM 275 O THR A 17 -12.282 -9.767 5.478 1.00 0.00 O ATOM 276 CB THR A 17 -10.660 -8.463 7.244 1.00 0.00 C ATOM 277 OG1 THR A 17 -10.390 -7.865 8.498 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.347 -8.597 6.504 1.00 0.00 C ATOM 0 H THR A 17 -13.549 -7.672 7.457 1.00 0.00 H new ATOM 0 HA THR A 17 -11.204 -6.821 5.976 1.00 0.00 H new ATOM 0 HB THR A 17 -11.094 -9.455 7.370 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.995 -8.530 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.649 -9.180 7.104 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.516 -9.101 5.552 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.929 -7.607 6.322 1.00 0.00 H new ATOM 286 N ILE A 18 -12.994 -7.905 4.436 1.00 0.00 N ATOM 287 CA ILE A 18 -13.672 -8.633 3.361 1.00 0.00 C ATOM 288 C ILE A 18 -12.709 -9.535 2.596 1.00 0.00 C ATOM 289 O ILE A 18 -13.042 -10.671 2.261 1.00 0.00 O ATOM 290 CB ILE A 18 -14.361 -7.698 2.330 1.00 0.00 C ATOM 291 CG1 ILE A 18 -14.060 -6.224 2.595 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.861 -7.936 2.310 1.00 0.00 C ATOM 293 CD1 ILE A 18 -14.457 -5.323 1.445 1.00 0.00 C ATOM 0 H ILE A 18 -13.061 -6.890 4.365 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.434 -9.227 3.866 1.00 0.00 H new ATOM 0 HB ILE A 18 -13.949 -7.943 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.586 -5.908 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.994 -6.106 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.325 -7.271 1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.061 -8.972 2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -16.274 -7.736 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -14.218 -4.289 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.911 -5.616 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.528 -5.414 1.264 1.00 0.00 H new ATOM 305 N SER A 19 -11.526 -9.013 2.301 1.00 0.00 N ATOM 306 CA SER A 19 -10.529 -9.769 1.543 1.00 0.00 C ATOM 307 C SER A 19 -9.217 -9.909 2.311 1.00 0.00 C ATOM 308 O SER A 19 -9.021 -9.266 3.340 1.00 0.00 O ATOM 309 CB SER A 19 -10.275 -9.092 0.196 1.00 0.00 C ATOM 310 OG SER A 19 -9.240 -8.134 0.294 1.00 0.00 O ATOM 0 H SER A 19 -11.231 -8.075 2.572 1.00 0.00 H new ATOM 0 HA SER A 19 -10.926 -10.771 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.010 -9.843 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.189 -8.610 -0.150 1.00 0.00 H new ATOM 0 HG SER A 19 -8.422 -8.568 0.616 1.00 0.00 H new ATOM 316 N SER A 20 -8.317 -10.754 1.797 1.00 0.00 N ATOM 317 CA SER A 20 -7.029 -10.978 2.445 1.00 0.00 C ATOM 318 C SER A 20 -6.061 -11.747 1.545 1.00 0.00 C ATOM 319 O SER A 20 -6.311 -12.896 1.185 1.00 0.00 O ATOM 320 CB SER A 20 -7.228 -11.743 3.755 1.00 0.00 C ATOM 321 OG SER A 20 -7.789 -10.907 4.753 1.00 0.00 O ATOM 0 H SER A 20 -8.459 -11.289 0.940 1.00 0.00 H new ATOM 0 HA SER A 20 -6.592 -10.000 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.880 -12.599 3.584 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.271 -12.135 4.100 1.00 0.00 H new ATOM 0 HG SER A 20 -8.149 -10.096 4.336 1.00 0.00 H new ATOM 327 N CYS A 21 -4.942 -11.106 1.216 1.00 0.00 N ATOM 328 CA CYS A 21 -3.910 -11.723 0.392 1.00 0.00 C ATOM 329 C CYS A 21 -2.676 -11.967 1.248 1.00 0.00 C ATOM 330 O CYS A 21 -1.648 -11.320 1.077 1.00 0.00 O ATOM 331 CB CYS A 21 -3.554 -10.819 -0.799 1.00 0.00 C ATOM 332 SG CYS A 21 -2.097 -11.344 -1.739 1.00 0.00 S ATOM 0 H CYS A 21 -4.728 -10.153 1.511 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.282 -12.669 -0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.409 -10.777 -1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.387 -9.806 -0.432 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.485 -12.294 -1.096 1.00 0.00 H new ATOM 338 N PHE A 22 -2.794 -12.899 2.183 1.00 0.00 N ATOM 339 CA PHE A 22 -1.697 -13.220 3.081 1.00 0.00 C ATOM 340 C PHE A 22 -1.239 -14.645 2.862 1.00 0.00 C ATOM 341 O PHE A 22 -1.717 -15.575 3.511 1.00 0.00 O ATOM 342 CB PHE A 22 -2.126 -13.004 4.534 1.00 0.00 C ATOM 343 CG PHE A 22 -2.398 -11.561 4.842 1.00 0.00 C ATOM 344 CD1 PHE A 22 -3.307 -10.843 4.081 1.00 0.00 C ATOM 345 CD2 PHE A 22 -1.727 -10.910 5.867 1.00 0.00 C ATOM 346 CE1 PHE A 22 -3.542 -9.508 4.330 1.00 0.00 C ATOM 347 CE2 PHE A 22 -1.967 -9.572 6.121 1.00 0.00 C ATOM 348 CZ PHE A 22 -2.872 -8.873 5.351 1.00 0.00 C ATOM 0 H PHE A 22 -3.641 -13.446 2.339 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.859 -12.556 2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.022 -13.591 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.346 -13.374 5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.839 -11.337 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.013 -11.451 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.250 -8.961 3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.444 -9.074 6.924 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.055 -7.827 5.549 1.00 0.00 H new ATOM 358 N GLN A 23 -0.317 -14.811 1.925 1.00 0.00 N ATOM 359 CA GLN A 23 0.194 -16.142 1.602 1.00 0.00 C ATOM 360 C GLN A 23 1.713 -16.207 1.707 1.00 0.00 C ATOM 361 O GLN A 23 2.409 -15.225 1.450 1.00 0.00 O ATOM 362 CB GLN A 23 -0.240 -16.560 0.195 1.00 0.00 C ATOM 363 CG GLN A 23 -1.607 -16.032 -0.209 1.00 0.00 C ATOM 364 CD GLN A 23 -1.524 -14.692 -0.908 1.00 0.00 C ATOM 365 OE1 GLN A 23 -1.190 -13.679 -0.292 1.00 0.00 O ATOM 366 NE2 GLN A 23 -1.823 -14.677 -2.202 1.00 0.00 N ATOM 0 H GLN A 23 0.091 -14.052 1.379 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.228 -16.832 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.501 -16.209 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.250 -17.648 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.092 -16.753 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.234 -15.938 0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.095 -15.540 -2.673 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.781 -13.802 -2.725 1.00 0.00 H new ATOM 587 N ASN A 38 9.924 -13.640 8.753 1.00 0.00 N ATOM 588 CA ASN A 38 8.751 -12.778 8.656 1.00 0.00 C ATOM 589 C ASN A 38 7.577 -13.527 8.042 1.00 0.00 C ATOM 590 O ASN A 38 6.728 -12.935 7.375 1.00 0.00 O ATOM 591 CB ASN A 38 9.075 -11.535 7.823 1.00 0.00 C ATOM 592 CG ASN A 38 10.259 -10.763 8.369 1.00 0.00 C ATOM 593 OD1 ASN A 38 10.386 -10.572 9.578 1.00 0.00 O ATOM 594 ND2 ASN A 38 11.134 -10.312 7.477 1.00 0.00 N ATOM 0 HA ASN A 38 8.472 -12.468 9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.283 -11.834 6.796 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.202 -10.883 7.795 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.951 -9.784 7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.989 -10.494 6.484 1.00 0.00 H new ATOM 601 N GLU A 39 7.533 -14.834 8.275 1.00 0.00 N ATOM 602 CA GLU A 39 6.458 -15.667 7.751 1.00 0.00 C ATOM 603 C GLU A 39 5.730 -16.390 8.878 1.00 0.00 C ATOM 604 O GLU A 39 5.159 -17.463 8.682 1.00 0.00 O ATOM 605 CB GLU A 39 7.006 -16.676 6.740 1.00 0.00 C ATOM 606 CG GLU A 39 6.075 -16.931 5.566 1.00 0.00 C ATOM 607 CD GLU A 39 4.669 -17.294 6.003 1.00 0.00 C ATOM 608 OE1 GLU A 39 4.473 -18.429 6.489 1.00 0.00 O ATOM 609 OE2 GLU A 39 3.764 -16.446 5.861 1.00 0.00 O ATOM 0 H GLU A 39 8.229 -15.339 8.823 1.00 0.00 H new ATOM 0 HA GLU A 39 5.744 -15.017 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.963 -16.315 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.200 -17.619 7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.037 -16.041 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.481 -17.737 4.954 1.00 0.00 H new ATOM 616 N GLN A 40 5.746 -15.784 10.059 1.00 0.00 N ATOM 617 CA GLN A 40 5.080 -16.348 11.227 1.00 0.00 C ATOM 618 C GLN A 40 3.835 -15.533 11.554 1.00 0.00 C ATOM 619 O GLN A 40 2.808 -16.073 11.965 1.00 0.00 O ATOM 620 CB GLN A 40 6.029 -16.370 12.426 1.00 0.00 C ATOM 621 CG GLN A 40 6.971 -17.563 12.437 1.00 0.00 C ATOM 622 CD GLN A 40 8.249 -17.304 11.663 1.00 0.00 C ATOM 623 OE1 GLN A 40 8.510 -17.939 10.642 1.00 0.00 O ATOM 624 NE2 GLN A 40 9.055 -16.366 12.148 1.00 0.00 N ATOM 0 H GLN A 40 6.216 -14.896 10.234 1.00 0.00 H new ATOM 0 HA GLN A 40 4.786 -17.374 11.004 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.618 -15.453 12.429 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.441 -16.374 13.344 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.220 -17.815 13.468 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.462 -18.427 12.011 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.799 -15.864 12.998 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.930 -16.148 11.670 1.00 0.00 H new ATOM 633 N ILE A 41 3.941 -14.224 11.350 1.00 0.00 N ATOM 634 CA ILE A 41 2.840 -13.306 11.595 1.00 0.00 C ATOM 635 C ILE A 41 1.607 -13.714 10.788 1.00 0.00 C ATOM 636 O ILE A 41 1.651 -13.770 9.559 1.00 0.00 O ATOM 637 CB ILE A 41 3.255 -11.871 11.229 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.488 -11.459 12.051 1.00 0.00 C ATOM 639 CG2 ILE A 41 2.101 -10.900 11.436 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.403 -10.070 12.655 1.00 0.00 C ATOM 0 H ILE A 41 4.791 -13.773 11.011 1.00 0.00 H new ATOM 0 HA ILE A 41 2.590 -13.346 12.655 1.00 0.00 H new ATOM 0 HB ILE A 41 3.518 -11.839 10.172 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.633 -12.183 12.853 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.369 -11.511 11.412 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.421 -9.893 11.170 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.262 -11.193 10.805 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.793 -10.919 12.481 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.313 -9.861 13.217 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.291 -9.333 11.859 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.543 -10.016 13.323 1.00 0.00 H new ATOM 652 N THR A 42 0.512 -14.004 11.486 1.00 0.00 N ATOM 653 CA THR A 42 -0.726 -14.412 10.833 1.00 0.00 C ATOM 654 C THR A 42 -1.483 -13.195 10.325 1.00 0.00 C ATOM 655 O THR A 42 -1.303 -12.089 10.833 1.00 0.00 O ATOM 656 CB THR A 42 -1.608 -15.205 11.811 1.00 0.00 C ATOM 657 OG1 THR A 42 -2.694 -15.816 11.140 1.00 0.00 O ATOM 658 CG2 THR A 42 -2.178 -14.374 12.932 1.00 0.00 C ATOM 0 H THR A 42 0.458 -13.964 12.504 1.00 0.00 H new ATOM 0 HA THR A 42 -0.475 -15.050 9.986 1.00 0.00 H new ATOM 0 HB THR A 42 -0.938 -15.950 12.241 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.238 -16.315 11.785 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.788 -15.005 13.579 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.364 -13.939 13.512 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.794 -13.577 12.517 1.00 0.00 H new ATOM 666 N PRO A 43 -2.364 -13.374 9.326 1.00 0.00 N ATOM 667 CA PRO A 43 -3.159 -12.271 8.790 1.00 0.00 C ATOM 668 C PRO A 43 -3.861 -11.508 9.908 1.00 0.00 C ATOM 669 O PRO A 43 -4.229 -10.348 9.749 1.00 0.00 O ATOM 670 CB PRO A 43 -4.174 -12.971 7.883 1.00 0.00 C ATOM 671 CG PRO A 43 -3.508 -14.245 7.491 1.00 0.00 C ATOM 672 CD PRO A 43 -2.675 -14.657 8.668 1.00 0.00 C ATOM 0 HA PRO A 43 -2.557 -11.531 8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.111 -13.158 8.407 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.412 -12.363 7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.244 -15.011 7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.889 -14.105 6.605 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.220 -15.328 9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.770 -15.180 8.358 1.00 0.00 H new ATOM 680 N VAL A 44 -4.023 -12.182 11.047 1.00 0.00 N ATOM 681 CA VAL A 44 -4.658 -11.609 12.223 1.00 0.00 C ATOM 682 C VAL A 44 -3.829 -10.475 12.804 1.00 0.00 C ATOM 683 O VAL A 44 -4.360 -9.411 13.096 1.00 0.00 O ATOM 684 CB VAL A 44 -4.836 -12.681 13.297 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.556 -12.141 14.511 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.549 -13.899 12.734 1.00 0.00 C ATOM 0 H VAL A 44 -3.714 -13.146 11.175 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.627 -11.217 11.914 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.842 -12.990 13.621 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.664 -12.933 15.252 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.982 -11.319 14.939 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.543 -11.781 14.219 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.664 -14.648 13.518 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.532 -13.607 12.365 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.963 -14.317 11.915 1.00 0.00 H new ATOM 696 N ILE A 45 -2.525 -10.697 12.975 1.00 0.00 N ATOM 697 CA ILE A 45 -1.659 -9.661 13.520 1.00 0.00 C ATOM 698 C ILE A 45 -1.721 -8.426 12.638 1.00 0.00 C ATOM 699 O ILE A 45 -1.644 -7.294 13.116 1.00 0.00 O ATOM 700 CB ILE A 45 -0.202 -10.150 13.648 1.00 0.00 C ATOM 701 CG1 ILE A 45 -0.072 -11.122 14.821 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.765 -8.985 13.814 1.00 0.00 C ATOM 703 CD1 ILE A 45 0.064 -12.560 14.394 1.00 0.00 C ATOM 0 H ILE A 45 -2.054 -11.573 12.747 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.014 -9.414 14.521 1.00 0.00 H new ATOM 0 HB ILE A 45 0.059 -10.669 12.726 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.796 -10.845 15.419 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.946 -11.023 15.464 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.782 -9.366 13.901 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.697 -8.329 12.946 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.509 -8.425 14.713 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.152 -13.195 15.276 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.816 -12.854 13.821 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.954 -12.673 13.775 1.00 0.00 H new ATOM 715 N PHE A 46 -1.890 -8.661 11.345 1.00 0.00 N ATOM 716 CA PHE A 46 -1.998 -7.583 10.385 1.00 0.00 C ATOM 717 C PHE A 46 -3.419 -7.037 10.383 1.00 0.00 C ATOM 718 O PHE A 46 -3.631 -5.827 10.322 1.00 0.00 O ATOM 719 CB PHE A 46 -1.640 -8.074 8.989 1.00 0.00 C ATOM 720 CG PHE A 46 -0.254 -8.641 8.872 1.00 0.00 C ATOM 721 CD1 PHE A 46 0.854 -7.824 8.994 1.00 0.00 C ATOM 722 CD2 PHE A 46 -0.064 -9.991 8.620 1.00 0.00 C ATOM 723 CE1 PHE A 46 2.126 -8.339 8.862 1.00 0.00 C ATOM 724 CE2 PHE A 46 1.206 -10.513 8.490 1.00 0.00 C ATOM 725 CZ PHE A 46 2.303 -9.686 8.608 1.00 0.00 C ATOM 0 H PHE A 46 -1.955 -9.595 10.939 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.303 -6.793 10.669 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.359 -8.836 8.689 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.742 -7.246 8.288 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.722 -6.771 9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.921 -10.642 8.524 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.984 -7.690 8.957 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.341 -11.567 8.296 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.299 -10.090 8.502 1.00 0.00 H new ATOM 735 N HIS A 47 -4.394 -7.943 10.464 1.00 0.00 N ATOM 736 CA HIS A 47 -5.796 -7.544 10.480 1.00 0.00 C ATOM 737 C HIS A 47 -6.105 -6.789 11.767 1.00 0.00 C ATOM 738 O HIS A 47 -6.991 -5.942 11.804 1.00 0.00 O ATOM 739 CB HIS A 47 -6.709 -8.775 10.314 1.00 0.00 C ATOM 740 CG HIS A 47 -7.772 -8.919 11.364 1.00 0.00 C ATOM 741 ND1 HIS A 47 -9.112 -9.059 11.067 1.00 0.00 N ATOM 742 CD2 HIS A 47 -7.682 -8.953 12.712 1.00 0.00 C ATOM 743 CE1 HIS A 47 -9.799 -9.172 12.192 1.00 0.00 C ATOM 744 NE2 HIS A 47 -8.952 -9.113 13.205 1.00 0.00 N ATOM 0 H HIS A 47 -4.238 -8.949 10.519 1.00 0.00 H new ATOM 0 HA HIS A 47 -5.989 -6.877 9.640 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.189 -8.724 9.337 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.090 -9.672 10.319 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.776 -8.870 13.294 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.870 -9.292 12.269 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.202 -9.176 14.192 1.00 0.00 H new ATOM 753 N ASN A 48 -5.346 -7.092 12.814 1.00 0.00 N ATOM 754 CA ASN A 48 -5.514 -6.432 14.097 1.00 0.00 C ATOM 755 C ASN A 48 -4.658 -5.180 14.119 1.00 0.00 C ATOM 756 O ASN A 48 -4.996 -4.192 14.764 1.00 0.00 O ATOM 757 CB ASN A 48 -5.134 -7.362 15.251 1.00 0.00 C ATOM 758 CG ASN A 48 -6.346 -8.014 15.888 1.00 0.00 C ATOM 759 OD1 ASN A 48 -7.080 -7.381 16.646 1.00 0.00 O ATOM 760 ND2 ASN A 48 -6.560 -9.288 15.585 1.00 0.00 N ATOM 0 H ASN A 48 -4.606 -7.794 12.796 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.563 -6.165 14.226 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.459 -8.135 14.884 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.590 -6.796 16.007 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.359 -9.780 15.985 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.926 -9.775 14.952 1.00 0.00 H new ATOM 767 N LEU A 49 -3.565 -5.220 13.364 1.00 0.00 N ATOM 768 CA LEU A 49 -2.685 -4.075 13.240 1.00 0.00 C ATOM 769 C LEU A 49 -3.493 -2.954 12.631 1.00 0.00 C ATOM 770 O LEU A 49 -3.712 -1.906 13.233 1.00 0.00 O ATOM 771 CB LEU A 49 -1.513 -4.417 12.321 1.00 0.00 C ATOM 772 CG LEU A 49 -0.180 -4.635 13.015 1.00 0.00 C ATOM 773 CD1 LEU A 49 0.939 -4.655 11.991 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.054 -3.548 14.047 1.00 0.00 C ATOM 0 H LEU A 49 -3.271 -6.038 12.829 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.288 -3.788 14.213 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.763 -5.319 11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.397 -3.613 11.594 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.196 -5.597 13.528 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.892 -4.812 12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.768 -5.464 11.281 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.963 -3.704 11.459 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.012 -3.714 14.539 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.062 -2.575 13.555 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.744 -3.573 14.789 1.00 0.00 H new ATOM 786 N ILE A 50 -3.976 -3.241 11.437 1.00 0.00 N ATOM 787 CA ILE A 50 -4.831 -2.334 10.691 1.00 0.00 C ATOM 788 C ILE A 50 -5.989 -1.882 11.568 1.00 0.00 C ATOM 789 O ILE A 50 -6.133 -0.708 11.903 1.00 0.00 O ATOM 790 CB ILE A 50 -5.434 -3.046 9.463 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.363 -3.723 8.620 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.240 -2.073 8.624 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.844 -5.031 8.028 1.00 0.00 C ATOM 0 H ILE A 50 -3.785 -4.118 10.952 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.225 -1.485 10.375 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.101 -3.826 9.831 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.058 -3.053 7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.481 -3.906 9.234 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.657 -2.594 7.762 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.050 -1.659 9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.593 -1.266 8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.046 -5.477 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.124 -5.713 8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.709 -4.846 7.391 1.00 0.00 H new ATOM 805 N MET A 51 -6.811 -2.857 11.918 1.00 0.00 N ATOM 806 CA MET A 51 -7.991 -2.660 12.739 1.00 0.00 C ATOM 807 C MET A 51 -7.696 -1.865 14.016 1.00 0.00 C ATOM 808 O MET A 51 -8.498 -1.029 14.430 1.00 0.00 O ATOM 809 CB MET A 51 -8.562 -4.038 13.083 1.00 0.00 C ATOM 810 CG MET A 51 -10.022 -4.015 13.506 1.00 0.00 C ATOM 811 SD MET A 51 -11.006 -5.300 12.705 1.00 0.00 S ATOM 812 CE MET A 51 -10.295 -5.309 11.059 1.00 0.00 C ATOM 0 H MET A 51 -6.673 -3.827 11.633 1.00 0.00 H new ATOM 0 HA MET A 51 -8.714 -2.069 12.177 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.456 -4.690 12.216 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.969 -4.476 13.886 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.084 -4.138 14.587 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.448 -3.039 13.272 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.004 -5.752 10.359 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.073 -4.287 10.753 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.375 -5.894 11.063 1.00 0.00 H new ATOM 822 N ASP A 52 -6.563 -2.147 14.646 1.00 0.00 N ATOM 823 CA ASP A 52 -6.181 -1.473 15.889 1.00 0.00 C ATOM 824 C ASP A 52 -5.339 -0.215 15.654 1.00 0.00 C ATOM 825 O ASP A 52 -5.176 0.601 16.562 1.00 0.00 O ATOM 826 CB ASP A 52 -5.418 -2.439 16.797 1.00 0.00 C ATOM 827 CG ASP A 52 -5.488 -2.036 18.257 1.00 0.00 C ATOM 828 OD1 ASP A 52 -6.579 -1.630 18.708 1.00 0.00 O ATOM 829 OD2 ASP A 52 -4.452 -2.129 18.948 1.00 0.00 O ATOM 0 H ASP A 52 -5.888 -2.839 14.319 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.107 -1.155 16.369 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.826 -3.443 16.680 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.375 -2.481 16.484 1.00 0.00 H new ATOM 834 N MET A 53 -4.778 -0.070 14.458 1.00 0.00 N ATOM 835 CA MET A 53 -3.930 1.083 14.152 1.00 0.00 C ATOM 836 C MET A 53 -4.415 1.843 12.923 1.00 0.00 C ATOM 837 O MET A 53 -4.882 2.978 13.024 1.00 0.00 O ATOM 838 CB MET A 53 -2.489 0.625 13.936 1.00 0.00 C ATOM 839 CG MET A 53 -1.858 -0.003 15.168 1.00 0.00 C ATOM 840 SD MET A 53 -1.901 1.088 16.603 1.00 0.00 S ATOM 841 CE MET A 53 -0.363 1.982 16.395 1.00 0.00 C ATOM 0 H MET A 53 -4.892 -0.729 13.688 1.00 0.00 H new ATOM 0 HA MET A 53 -3.983 1.762 15.003 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.464 -0.095 13.118 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.888 1.480 13.626 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.379 -0.930 15.406 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.824 -0.266 14.947 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.245 2.698 17.208 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.470 1.280 16.406 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.377 2.513 15.443 1.00 0.00 H new ATOM 851 N VAL A 54 -4.293 1.217 11.759 1.00 0.00 N ATOM 852 CA VAL A 54 -4.707 1.837 10.505 1.00 0.00 C ATOM 853 C VAL A 54 -6.137 2.360 10.580 1.00 0.00 C ATOM 854 O VAL A 54 -6.405 3.508 10.240 1.00 0.00 O ATOM 855 CB VAL A 54 -4.596 0.845 9.329 1.00 0.00 C ATOM 856 CG1 VAL A 54 -5.135 1.456 8.042 1.00 0.00 C ATOM 857 CG2 VAL A 54 -3.155 0.394 9.150 1.00 0.00 C ATOM 0 H VAL A 54 -3.910 0.277 11.657 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.033 2.677 10.336 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.205 -0.028 9.563 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.044 0.734 7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.184 1.721 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.564 2.351 7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.094 -0.306 8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.526 1.260 8.944 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.811 -0.096 10.061 1.00 0.00 H new ATOM 867 N LEU A 55 -7.048 1.499 11.006 1.00 0.00 N ATOM 868 CA LEU A 55 -8.457 1.857 11.103 1.00 0.00 C ATOM 869 C LEU A 55 -8.672 3.080 11.987 1.00 0.00 C ATOM 870 O LEU A 55 -9.219 4.086 11.538 1.00 0.00 O ATOM 871 CB LEU A 55 -9.264 0.671 11.612 1.00 0.00 C ATOM 872 CG LEU A 55 -9.772 -0.272 10.519 1.00 0.00 C ATOM 873 CD1 LEU A 55 -11.034 0.271 9.882 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.709 -0.518 9.456 1.00 0.00 C ATOM 0 H LEU A 55 -6.837 0.543 11.292 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.806 2.119 10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.648 0.101 12.307 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.118 1.045 12.176 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.002 -1.226 10.993 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.376 -0.416 9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.809 0.377 10.642 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.827 1.244 9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.104 -1.192 8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.432 0.429 8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.830 -0.967 9.918 1.00 0.00 H new ATOM 886 N PRO A 56 -8.241 3.022 13.259 1.00 0.00 N ATOM 887 CA PRO A 56 -8.393 4.146 14.184 1.00 0.00 C ATOM 888 C PRO A 56 -7.614 5.385 13.739 1.00 0.00 C ATOM 889 O PRO A 56 -7.624 6.406 14.425 1.00 0.00 O ATOM 890 CB PRO A 56 -7.838 3.611 15.509 1.00 0.00 C ATOM 891 CG PRO A 56 -6.970 2.461 15.131 1.00 0.00 C ATOM 892 CD PRO A 56 -7.577 1.869 13.891 1.00 0.00 C ATOM 0 HA PRO A 56 -9.431 4.473 14.246 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.270 4.377 16.036 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.642 3.296 16.174 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.947 2.789 14.945 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.928 1.725 15.934 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.819 1.434 13.240 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.286 1.076 14.129 1.00 0.00 H new ATOM 900 N LYS A 57 -6.947 5.300 12.585 1.00 0.00 N ATOM 901 CA LYS A 57 -6.185 6.429 12.068 1.00 0.00 C ATOM 902 C LYS A 57 -6.219 6.425 10.545 1.00 0.00 C ATOM 903 O LYS A 57 -5.312 6.936 9.887 1.00 0.00 O ATOM 904 CB LYS A 57 -4.739 6.375 12.569 1.00 0.00 C ATOM 905 CG LYS A 57 -4.248 7.692 13.148 1.00 0.00 C ATOM 906 CD LYS A 57 -5.140 8.171 14.281 1.00 0.00 C ATOM 907 CE LYS A 57 -4.352 8.955 15.317 1.00 0.00 C ATOM 908 NZ LYS A 57 -5.128 10.110 15.849 1.00 0.00 N ATOM 0 H LYS A 57 -6.922 4.466 11.998 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.638 7.352 12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.655 5.599 13.330 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.088 6.084 11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.228 7.572 13.513 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.219 8.447 12.363 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.937 8.797 13.879 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.617 7.314 14.757 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.075 8.294 16.139 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.425 9.315 14.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.555 10.618 16.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.371 10.754 15.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.001 9.765 16.297 1.00 0.00 H new ATOM 922 N VAL A 58 -7.278 5.837 9.998 1.00 0.00 N ATOM 923 CA VAL A 58 -7.453 5.750 8.560 1.00 0.00 C ATOM 924 C VAL A 58 -8.107 7.008 8.017 1.00 0.00 C ATOM 925 O VAL A 58 -8.632 7.826 8.773 1.00 0.00 O ATOM 926 CB VAL A 58 -8.323 4.531 8.180 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.789 4.797 8.486 1.00 0.00 C ATOM 928 CG2 VAL A 58 -8.150 4.168 6.715 1.00 0.00 C ATOM 0 H VAL A 58 -8.032 5.412 10.538 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.462 5.637 8.120 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.989 3.686 8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.382 3.925 8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.908 4.995 9.551 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.129 5.662 7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.774 3.307 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.446 5.013 6.093 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.106 3.923 6.522 1.00 0.00 H new ATOM 938 N VAL A 59 -8.086 7.146 6.705 1.00 0.00 N ATOM 939 CA VAL A 59 -8.690 8.287 6.055 1.00 0.00 C ATOM 940 C VAL A 59 -9.450 7.842 4.814 1.00 0.00 C ATOM 941 O VAL A 59 -9.042 6.899 4.138 1.00 0.00 O ATOM 942 CB VAL A 59 -7.638 9.337 5.662 1.00 0.00 C ATOM 943 CG1 VAL A 59 -6.818 9.749 6.873 1.00 0.00 C ATOM 944 CG2 VAL A 59 -6.733 8.815 4.554 1.00 0.00 C ATOM 0 H VAL A 59 -7.654 6.477 6.068 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.379 8.743 6.766 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.161 10.215 5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.079 10.493 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.476 10.174 7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.310 8.876 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.998 9.577 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.219 7.917 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.333 8.577 3.676 1.00 0.00 H new ATOM 1052 N VAL A 66 -3.935 4.973 -1.028 1.00 0.00 N ATOM 1053 CA VAL A 66 -2.909 4.039 -0.564 1.00 0.00 C ATOM 1054 C VAL A 66 -1.858 4.765 0.272 1.00 0.00 C ATOM 1055 O VAL A 66 -0.695 4.860 -0.120 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.208 3.336 -1.743 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.456 2.101 -1.266 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.212 2.976 -2.829 1.00 0.00 C ATOM 0 HA VAL A 66 -3.413 3.289 0.045 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.482 4.028 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.969 1.621 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.703 2.394 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.156 1.403 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.696 2.481 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.967 2.306 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.692 3.883 -3.196 1.00 0.00 H new ATOM 1068 N THR A 67 -2.278 5.286 1.420 1.00 0.00 N ATOM 1069 CA THR A 67 -1.373 6.013 2.302 1.00 0.00 C ATOM 1070 C THR A 67 -0.758 5.093 3.350 1.00 0.00 C ATOM 1071 O THR A 67 -1.450 4.284 3.966 1.00 0.00 O ATOM 1072 CB THR A 67 -2.112 7.155 2.992 1.00 0.00 C ATOM 1073 OG1 THR A 67 -2.722 8.006 2.040 1.00 0.00 O ATOM 1074 CG2 THR A 67 -1.218 8.007 3.867 1.00 0.00 C ATOM 0 H THR A 67 -3.237 5.219 1.761 1.00 0.00 H new ATOM 0 HA THR A 67 -0.568 6.418 1.689 1.00 0.00 H new ATOM 0 HB THR A 67 -2.858 6.674 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.192 8.731 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.808 8.800 4.327 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.773 7.387 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.428 8.448 3.259 1.00 0.00 H new ATOM 1082 N LYS A 68 0.547 5.234 3.554 1.00 0.00 N ATOM 1083 CA LYS A 68 1.255 4.424 4.535 1.00 0.00 C ATOM 1084 C LYS A 68 1.189 5.076 5.909 1.00 0.00 C ATOM 1085 O LYS A 68 1.555 6.240 6.074 1.00 0.00 O ATOM 1086 CB LYS A 68 2.715 4.231 4.121 1.00 0.00 C ATOM 1087 CG LYS A 68 3.349 2.976 4.700 1.00 0.00 C ATOM 1088 CD LYS A 68 4.731 3.255 5.267 1.00 0.00 C ATOM 1089 CE LYS A 68 5.012 2.403 6.493 1.00 0.00 C ATOM 1090 NZ LYS A 68 6.310 2.755 7.132 1.00 0.00 N ATOM 0 H LYS A 68 1.134 5.901 3.053 1.00 0.00 H new ATOM 0 HA LYS A 68 0.772 3.448 4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.773 4.189 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.292 5.100 4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.708 2.573 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.421 2.214 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.485 3.058 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.812 4.310 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.206 2.531 7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.022 1.351 6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.209 2.719 8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.040 2.078 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.589 3.715 6.845 1.00 0.00 H new ATOM 1104 N MET A 69 0.717 4.321 6.896 1.00 0.00 N ATOM 1105 CA MET A 69 0.600 4.829 8.258 1.00 0.00 C ATOM 1106 C MET A 69 1.922 5.427 8.735 1.00 0.00 C ATOM 1107 O MET A 69 1.942 6.425 9.456 1.00 0.00 O ATOM 1108 CB MET A 69 0.160 3.710 9.201 1.00 0.00 C ATOM 1109 CG MET A 69 -0.137 4.191 10.608 1.00 0.00 C ATOM 1110 SD MET A 69 -1.764 3.685 11.193 1.00 0.00 S ATOM 1111 CE MET A 69 -2.810 4.709 10.166 1.00 0.00 C ATOM 0 H MET A 69 0.409 3.356 6.778 1.00 0.00 H new ATOM 0 HA MET A 69 -0.153 5.617 8.263 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.730 3.230 8.793 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.941 2.951 9.242 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.624 3.805 11.287 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.068 5.278 10.637 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.829 4.693 10.554 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.436 5.733 10.172 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.804 4.327 9.145 1.00 0.00 H new ATOM 1121 N SER A 70 3.021 4.811 8.317 1.00 0.00 N ATOM 1122 CA SER A 70 4.353 5.277 8.686 1.00 0.00 C ATOM 1123 C SER A 70 4.541 5.302 10.198 1.00 0.00 C ATOM 1124 O SER A 70 5.385 6.033 10.714 1.00 0.00 O ATOM 1125 CB SER A 70 4.615 6.664 8.101 1.00 0.00 C ATOM 1126 OG SER A 70 4.920 6.586 6.719 1.00 0.00 O ATOM 0 H SER A 70 3.016 3.984 7.720 1.00 0.00 H new ATOM 0 HA SER A 70 5.074 4.572 8.271 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.739 7.295 8.248 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.441 7.136 8.633 1.00 0.00 H new ATOM 0 HG SER A 70 5.082 7.487 6.368 1.00 0.00 H new ATOM 1132 N MET A 71 3.770 4.484 10.898 1.00 0.00 N ATOM 1133 CA MET A 71 3.878 4.402 12.352 1.00 0.00 C ATOM 1134 C MET A 71 4.675 3.168 12.767 1.00 0.00 C ATOM 1135 O MET A 71 4.777 2.853 13.953 1.00 0.00 O ATOM 1136 CB MET A 71 2.494 4.359 13.004 1.00 0.00 C ATOM 1137 CG MET A 71 1.585 5.502 12.594 1.00 0.00 C ATOM 1138 SD MET A 71 2.035 7.065 13.373 1.00 0.00 S ATOM 1139 CE MET A 71 0.672 8.108 12.857 1.00 0.00 C ATOM 0 H MET A 71 3.066 3.870 10.489 1.00 0.00 H new ATOM 0 HA MET A 71 4.400 5.296 12.693 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.012 3.415 12.749 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.613 4.373 14.087 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.620 5.618 11.511 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.556 5.254 12.855 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.808 9.111 13.262 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.643 8.157 11.768 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.265 7.692 13.227 1.00 0.00 H new ATOM 1149 N ASN A 72 5.239 2.467 11.783 1.00 0.00 N ATOM 1150 CA ASN A 72 6.021 1.266 12.050 1.00 0.00 C ATOM 1151 C ASN A 72 5.203 0.257 12.852 1.00 0.00 C ATOM 1152 O ASN A 72 5.635 -0.217 13.902 1.00 0.00 O ATOM 1153 CB ASN A 72 7.304 1.626 12.801 1.00 0.00 C ATOM 1154 CG ASN A 72 8.493 0.804 12.343 1.00 0.00 C ATOM 1155 OD1 ASN A 72 9.606 1.318 12.224 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.267 -0.479 12.084 1.00 0.00 N ATOM 0 H ASN A 72 5.167 2.712 10.796 1.00 0.00 H new ATOM 0 HA ASN A 72 6.288 0.810 11.097 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.521 2.685 12.657 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.151 1.474 13.869 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.031 -1.079 11.773 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.329 -0.864 12.196 1.00 0.00 H new ATOM 1163 N LEU A 73 4.016 -0.060 12.344 1.00 0.00 N ATOM 1164 CA LEU A 73 3.129 -1.008 13.006 1.00 0.00 C ATOM 1165 C LEU A 73 3.801 -2.370 13.138 1.00 0.00 C ATOM 1166 O LEU A 73 3.575 -3.095 14.107 1.00 0.00 O ATOM 1167 CB LEU A 73 1.815 -1.128 12.230 1.00 0.00 C ATOM 1168 CG LEU A 73 0.876 0.073 12.372 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.463 1.294 11.694 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.487 -0.233 11.789 1.00 0.00 C ATOM 0 H LEU A 73 3.647 0.327 11.475 1.00 0.00 H new ATOM 0 HA LEU A 73 2.910 -0.640 14.008 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.044 -1.270 11.174 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.291 -2.023 12.565 1.00 0.00 H new ATOM 0 HG LEU A 73 0.761 0.281 13.436 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.780 2.136 11.807 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.421 1.540 12.153 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.611 1.086 10.634 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.135 0.636 11.903 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.384 -0.473 10.731 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.925 -1.083 12.313 1.00 0.00 H new ATOM 1182 N ILE A 74 4.635 -2.707 12.161 1.00 0.00 N ATOM 1183 CA ILE A 74 5.351 -3.974 12.163 1.00 0.00 C ATOM 1184 C ILE A 74 6.651 -3.859 11.374 1.00 0.00 C ATOM 1185 O ILE A 74 6.754 -3.063 10.438 1.00 0.00 O ATOM 1186 CB ILE A 74 4.485 -5.120 11.578 1.00 0.00 C ATOM 1187 CG1 ILE A 74 4.028 -6.061 12.695 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.238 -5.905 10.510 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.162 -7.199 12.200 1.00 0.00 C ATOM 0 H ILE A 74 4.832 -2.116 11.354 1.00 0.00 H new ATOM 0 HA ILE A 74 5.580 -4.214 13.201 1.00 0.00 H new ATOM 0 HB ILE A 74 3.612 -4.667 11.107 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.904 -6.472 13.196 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.474 -5.489 13.439 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.599 -6.699 10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.517 -5.236 9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.137 -6.342 10.945 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.872 -7.828 13.041 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.268 -6.796 11.724 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.721 -7.794 11.477 1.00 0.00 H new ATOM 1201 N ASP A 75 7.634 -4.662 11.751 1.00 0.00 N ATOM 1202 CA ASP A 75 8.920 -4.658 11.074 1.00 0.00 C ATOM 1203 C ASP A 75 8.967 -5.752 10.019 1.00 0.00 C ATOM 1204 O ASP A 75 8.486 -6.864 10.237 1.00 0.00 O ATOM 1205 CB ASP A 75 10.054 -4.850 12.081 1.00 0.00 C ATOM 1206 CG ASP A 75 11.373 -4.297 11.578 1.00 0.00 C ATOM 1207 OD1 ASP A 75 11.576 -3.068 11.673 1.00 0.00 O ATOM 1208 OD2 ASP A 75 12.203 -5.092 11.090 1.00 0.00 O ATOM 0 H ASP A 75 7.565 -5.325 12.523 1.00 0.00 H new ATOM 0 HA ASP A 75 9.048 -3.693 10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.791 -4.359 13.018 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.168 -5.912 12.298 1.00 0.00 H new ATOM 1213 N GLY A 76 9.540 -5.426 8.871 1.00 0.00 N ATOM 1214 CA GLY A 76 9.633 -6.385 7.790 1.00 0.00 C ATOM 1215 C GLY A 76 8.754 -6.010 6.615 1.00 0.00 C ATOM 1216 O GLY A 76 9.098 -6.284 5.465 1.00 0.00 O ATOM 0 H GLY A 76 9.944 -4.512 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.669 -6.457 7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.347 -7.371 8.156 1.00 0.00 H new ATOM 1220 N PHE A 77 7.615 -5.382 6.898 1.00 0.00 N ATOM 1221 CA PHE A 77 6.693 -4.976 5.839 1.00 0.00 C ATOM 1222 C PHE A 77 6.258 -3.521 6.019 1.00 0.00 C ATOM 1223 O PHE A 77 6.613 -2.874 7.004 1.00 0.00 O ATOM 1224 CB PHE A 77 5.463 -5.891 5.806 1.00 0.00 C ATOM 1225 CG PHE A 77 5.637 -7.178 6.566 1.00 0.00 C ATOM 1226 CD1 PHE A 77 5.073 -7.332 7.819 1.00 0.00 C ATOM 1227 CD2 PHE A 77 6.363 -8.230 6.029 1.00 0.00 C ATOM 1228 CE1 PHE A 77 5.226 -8.509 8.526 1.00 0.00 C ATOM 1229 CE2 PHE A 77 6.521 -9.411 6.730 1.00 0.00 C ATOM 1230 CZ PHE A 77 5.951 -9.550 7.983 1.00 0.00 C ATOM 0 H PHE A 77 7.310 -5.145 7.842 1.00 0.00 H new ATOM 0 HA PHE A 77 7.220 -5.065 4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.610 -5.351 6.217 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.223 -6.123 4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.505 -6.521 8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.810 -8.126 5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.778 -8.614 9.503 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.088 -10.223 6.300 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.073 -10.471 8.534 1.00 0.00 H new ATOM 1240 N ASP A 78 5.489 -3.014 5.057 1.00 0.00 N ATOM 1241 CA ASP A 78 5.005 -1.636 5.101 1.00 0.00 C ATOM 1242 C ASP A 78 3.478 -1.599 5.117 1.00 0.00 C ATOM 1243 O ASP A 78 2.825 -2.160 4.234 1.00 0.00 O ATOM 1244 CB ASP A 78 5.537 -0.849 3.898 1.00 0.00 C ATOM 1245 CG ASP A 78 6.354 0.359 4.313 1.00 0.00 C ATOM 1246 OD1 ASP A 78 6.890 0.356 5.440 1.00 0.00 O ATOM 1247 OD2 ASP A 78 6.459 1.308 3.506 1.00 0.00 O ATOM 0 H ASP A 78 5.187 -3.539 4.236 1.00 0.00 H new ATOM 0 HA ASP A 78 5.371 -1.174 6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.151 -1.505 3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.699 -0.523 3.281 1.00 0.00 H new ATOM 1252 N CYS A 79 2.914 -0.946 6.134 1.00 0.00 N ATOM 1253 CA CYS A 79 1.462 -0.848 6.280 1.00 0.00 C ATOM 1254 C CYS A 79 0.868 0.265 5.418 1.00 0.00 C ATOM 1255 O CYS A 79 0.911 1.439 5.784 1.00 0.00 O ATOM 1256 CB CYS A 79 1.096 -0.616 7.746 1.00 0.00 C ATOM 1257 SG CYS A 79 -0.567 -1.176 8.185 1.00 0.00 S ATOM 0 H CYS A 79 3.442 -0.477 6.870 1.00 0.00 H new ATOM 0 HA CYS A 79 1.039 -1.792 5.937 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.820 -1.131 8.377 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.180 0.448 7.967 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.513 -2.402 8.615 1.00 0.00 H new ATOM 1263 N PHE A 80 0.291 -0.119 4.281 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.336 0.835 3.367 1.00 0.00 C ATOM 1265 C PHE A 80 -1.857 0.678 3.390 1.00 0.00 C ATOM 1266 O PHE A 80 -2.373 -0.419 3.179 1.00 0.00 O ATOM 1267 CB PHE A 80 0.177 0.619 1.941 1.00 0.00 C ATOM 1268 CG PHE A 80 1.441 1.366 1.624 1.00 0.00 C ATOM 1269 CD1 PHE A 80 2.680 0.808 1.901 1.00 0.00 C ATOM 1270 CD2 PHE A 80 1.392 2.622 1.043 1.00 0.00 C ATOM 1271 CE1 PHE A 80 3.843 1.490 1.603 1.00 0.00 C ATOM 1272 CE2 PHE A 80 2.553 3.311 0.744 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.781 2.743 1.024 1.00 0.00 C ATOM 0 H PHE A 80 0.245 -1.089 3.969 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.077 1.842 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.348 -0.446 1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.598 0.923 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.736 -0.170 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.434 3.069 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.802 1.044 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.500 4.291 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.690 3.277 0.791 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.574 1.772 3.638 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.035 1.725 3.674 1.00 0.00 C ATOM 1285 C TYR A 81 -4.645 2.654 2.628 1.00 0.00 C ATOM 1286 O TYR A 81 -4.210 3.793 2.459 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.562 2.075 5.070 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.168 3.449 5.569 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -2.982 3.638 6.267 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -4.985 4.556 5.356 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -2.620 4.886 6.735 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -4.629 5.806 5.821 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.446 5.966 6.511 1.00 0.00 C ATOM 1294 OH TYR A 81 -3.085 7.211 6.975 1.00 0.00 O ATOM 0 H TYR A 81 -2.173 2.693 3.815 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.335 0.704 3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.650 2.005 5.061 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.200 1.329 5.778 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.332 2.795 6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.913 4.435 4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.693 5.015 7.274 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.274 6.654 5.645 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.775 7.863 6.733 1.00 0.00 H new ATOM 1304 N SER A 82 -5.655 2.146 1.926 1.00 0.00 N ATOM 1305 CA SER A 82 -6.342 2.909 0.888 1.00 0.00 C ATOM 1306 C SER A 82 -7.848 2.670 0.960 1.00 0.00 C ATOM 1307 O SER A 82 -8.315 1.548 0.757 1.00 0.00 O ATOM 1308 CB SER A 82 -5.813 2.515 -0.496 1.00 0.00 C ATOM 1309 OG SER A 82 -6.729 1.677 -1.182 1.00 0.00 O ATOM 0 H SER A 82 -6.018 1.202 2.059 1.00 0.00 H new ATOM 0 HA SER A 82 -6.148 3.969 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.628 3.413 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.858 2.001 -0.389 1.00 0.00 H new ATOM 0 HG SER A 82 -6.760 1.932 -2.128 1.00 0.00 H new ATOM 1315 N THR A 83 -8.609 3.720 1.249 1.00 0.00 N ATOM 1316 CA THR A 83 -10.059 3.599 1.340 1.00 0.00 C ATOM 1317 C THR A 83 -10.709 3.759 -0.029 1.00 0.00 C ATOM 1318 O THR A 83 -10.154 4.402 -0.920 1.00 0.00 O ATOM 1319 CB THR A 83 -10.630 4.625 2.315 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.286 5.939 1.915 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.151 4.435 3.738 1.00 0.00 C ATOM 0 H THR A 83 -8.249 4.658 1.423 1.00 0.00 H new ATOM 0 HA THR A 83 -10.284 2.600 1.714 1.00 0.00 H new ATOM 0 HB THR A 83 -11.709 4.474 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.810 6.389 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.596 5.198 4.377 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.447 3.448 4.093 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.065 4.522 3.771 1.00 0.00 H new ATOM 1329 N ASP A 84 -11.891 3.167 -0.188 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.622 3.239 -1.451 1.00 0.00 C ATOM 1331 C ASP A 84 -12.718 4.677 -1.952 1.00 0.00 C ATOM 1332 O ASP A 84 -12.637 5.626 -1.172 1.00 0.00 O ATOM 1333 CB ASP A 84 -14.023 2.643 -1.288 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.696 2.372 -2.620 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -14.032 2.534 -3.665 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -15.887 1.997 -2.617 1.00 0.00 O ATOM 0 H ASP A 84 -12.363 2.632 0.542 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.072 2.658 -2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.956 1.714 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.640 3.327 -0.705 1.00 0.00 H new ATOM 1341 N ASP A 85 -12.881 4.826 -3.261 1.00 0.00 N ATOM 1342 CA ASP A 85 -12.977 6.147 -3.879 1.00 0.00 C ATOM 1343 C ASP A 85 -14.268 6.863 -3.485 1.00 0.00 C ATOM 1344 O ASP A 85 -14.359 8.087 -3.584 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.896 6.021 -5.401 1.00 0.00 C ATOM 1346 CG ASP A 85 -12.135 7.169 -6.036 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -12.103 8.264 -5.436 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -11.569 6.971 -7.132 1.00 0.00 O ATOM 0 H ASP A 85 -12.950 4.048 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.140 6.744 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.411 5.080 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -13.904 5.984 -5.814 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.265 6.101 -3.045 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.545 6.684 -2.649 1.00 0.00 C ATOM 1355 C HIS A 86 -17.250 5.831 -1.597 1.00 0.00 C ATOM 1356 O HIS A 86 -18.469 5.908 -1.442 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.449 6.846 -3.874 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.863 5.544 -4.490 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -17.398 4.323 -4.052 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -18.708 5.277 -5.515 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -17.935 3.361 -4.779 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -18.736 3.913 -5.673 1.00 0.00 N ATOM 0 H HIS A 86 -15.214 5.086 -2.954 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.343 7.661 -2.211 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.341 7.402 -3.586 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.929 7.444 -4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -19.257 6.001 -6.099 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -17.751 2.303 -4.663 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -19.286 3.408 -6.368 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.484 5.015 -0.881 1.00 0.00 N ATOM 1372 CA ASP A 87 -17.048 4.152 0.147 1.00 0.00 C ATOM 1373 C ASP A 87 -16.100 4.028 1.338 1.00 0.00 C ATOM 1374 O ASP A 87 -15.257 3.131 1.378 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.346 2.767 -0.427 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.490 2.077 0.289 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.431 2.778 0.717 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -18.447 0.835 0.422 1.00 0.00 O ATOM 0 H ASP A 87 -15.474 4.934 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.978 4.603 0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.587 2.860 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -16.452 2.148 -0.357 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.229 4.924 2.332 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.381 4.897 3.528 1.00 0.00 C ATOM 1385 C PRO A 88 -15.523 3.589 4.299 1.00 0.00 C ATOM 1386 O PRO A 88 -14.676 3.249 5.126 1.00 0.00 O ATOM 1387 CB PRO A 88 -15.888 6.077 4.363 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.249 6.375 3.836 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.211 6.019 2.378 1.00 0.00 C ATOM 0 HA PRO A 88 -14.322 4.970 3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.923 5.823 5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.230 6.940 4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.007 5.794 4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.501 7.426 3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.188 5.701 2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -16.902 6.865 1.764 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.592 2.849 4.012 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.837 1.570 4.668 1.00 0.00 C ATOM 1399 C LYS A 89 -16.289 0.424 3.823 1.00 0.00 C ATOM 1400 O LYS A 89 -16.818 -0.687 3.845 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.335 1.375 4.911 1.00 0.00 C ATOM 1402 CG LYS A 89 -18.918 2.347 5.924 1.00 0.00 C ATOM 1403 CD LYS A 89 -20.417 2.520 5.730 1.00 0.00 C ATOM 1404 CE LYS A 89 -21.075 3.110 6.968 1.00 0.00 C ATOM 1405 NZ LYS A 89 -22.294 2.352 7.362 1.00 0.00 N ATOM 0 H LYS A 89 -17.302 3.115 3.329 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.323 1.572 5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.866 1.487 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.509 0.356 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.720 1.985 6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.424 3.314 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.602 3.169 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.869 1.555 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.363 3.108 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.340 4.150 6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.713 2.785 8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.984 2.375 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.038 1.365 7.568 1.00 0.00 H new ATOM 1419 N THR A 90 -15.224 0.708 3.082 1.00 0.00 N ATOM 1420 CA THR A 90 -14.588 -0.286 2.227 1.00 0.00 C ATOM 1421 C THR A 90 -13.127 0.081 2.008 1.00 0.00 C ATOM 1422 O THR A 90 -12.736 0.536 0.932 1.00 0.00 O ATOM 1423 CB THR A 90 -15.325 -0.386 0.889 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.604 -0.969 1.066 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.592 -1.206 -0.152 1.00 0.00 C ATOM 0 H THR A 90 -14.780 1.626 3.057 1.00 0.00 H new ATOM 0 HA THR A 90 -14.636 -1.259 2.716 1.00 0.00 H new ATOM 0 HB THR A 90 -15.397 0.640 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 90 -17.286 -0.266 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.176 -1.231 -1.072 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.620 -0.756 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.453 -2.222 0.217 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.334 -0.112 3.050 1.00 0.00 N ATOM 1434 CA VAL A 91 -10.916 0.198 3.010 1.00 0.00 C ATOM 1435 C VAL A 91 -10.136 -0.856 2.228 1.00 0.00 C ATOM 1436 O VAL A 91 -10.698 -1.846 1.764 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.324 0.323 4.433 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.192 1.341 4.457 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.405 0.703 5.437 1.00 0.00 C ATOM 0 H VAL A 91 -12.654 -0.486 3.943 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.819 1.158 2.502 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.919 -0.648 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.789 1.414 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.404 1.025 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.572 2.315 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.966 0.785 6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.844 1.660 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.180 -0.064 5.445 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.835 -0.626 2.095 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.947 -1.538 1.377 1.00 0.00 C ATOM 1451 C TYR A 92 -6.549 -1.484 1.978 1.00 0.00 C ATOM 1452 O TYR A 92 -5.826 -0.502 1.799 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.870 -1.167 -0.107 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.209 -1.104 -0.804 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -9.629 0.059 -1.437 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -10.046 -2.208 -0.842 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -10.847 0.119 -2.083 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -11.267 -2.157 -1.486 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.664 -0.991 -2.105 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.880 -0.936 -2.748 1.00 0.00 O ATOM 0 H TYR A 92 -8.366 0.194 2.479 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.350 -2.546 1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.378 -0.199 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.241 -1.895 -0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.992 0.931 -1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.738 -3.124 -0.360 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.159 1.032 -2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.907 -3.026 -1.504 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.331 -1.803 -2.670 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.171 -2.526 2.699 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.861 -2.568 3.334 1.00 0.00 C ATOM 1472 C VAL A 93 -3.905 -3.498 2.596 1.00 0.00 C ATOM 1473 O VAL A 93 -4.278 -4.592 2.176 1.00 0.00 O ATOM 1474 CB VAL A 93 -4.985 -3.009 4.800 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.637 -2.966 5.504 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.996 -2.133 5.516 1.00 0.00 C ATOM 0 H VAL A 93 -6.748 -3.351 2.860 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.451 -1.559 3.294 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.333 -4.042 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.757 -3.283 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.941 -3.635 4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.246 -1.949 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.080 -2.450 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.668 -1.094 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.967 -2.225 5.029 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.667 -3.041 2.444 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.639 -3.811 1.760 1.00 0.00 C ATOM 1488 C CYS A 94 -0.308 -3.704 2.493 1.00 0.00 C ATOM 1489 O CYS A 94 0.329 -2.651 2.493 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.480 -3.316 0.320 1.00 0.00 C ATOM 1491 SG CYS A 94 -0.327 -4.294 -0.670 1.00 0.00 S ATOM 0 H CYS A 94 -2.351 -2.134 2.789 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.946 -4.857 1.748 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -2.456 -3.323 -0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.140 -2.281 0.338 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.417 -3.939 -1.917 1.00 0.00 H new ATOM 1497 N PHE A 95 0.116 -4.804 3.105 1.00 0.00 N ATOM 1498 CA PHE A 95 1.381 -4.831 3.822 1.00 0.00 C ATOM 1499 C PHE A 95 2.497 -5.177 2.850 1.00 0.00 C ATOM 1500 O PHE A 95 2.876 -6.338 2.717 1.00 0.00 O ATOM 1501 CB PHE A 95 1.331 -5.848 4.961 1.00 0.00 C ATOM 1502 CG PHE A 95 1.047 -5.234 6.301 1.00 0.00 C ATOM 1503 CD1 PHE A 95 2.010 -4.480 6.951 1.00 0.00 C ATOM 1504 CD2 PHE A 95 -0.183 -5.414 6.912 1.00 0.00 C ATOM 1505 CE1 PHE A 95 1.752 -3.914 8.185 1.00 0.00 C ATOM 1506 CE2 PHE A 95 -0.448 -4.852 8.147 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.521 -4.101 8.783 1.00 0.00 C ATOM 0 H PHE A 95 -0.397 -5.685 3.118 1.00 0.00 H new ATOM 0 HA PHE A 95 1.570 -3.849 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.564 -6.591 4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.283 -6.377 5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.974 -4.333 6.488 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.944 -6.000 6.418 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.511 -3.327 8.681 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.411 -5.000 8.613 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.316 -3.660 9.747 1.00 0.00 H new ATOM 1517 N THR A 96 2.996 -4.165 2.153 1.00 0.00 N ATOM 1518 CA THR A 96 4.048 -4.367 1.165 1.00 0.00 C ATOM 1519 C THR A 96 5.424 -4.434 1.808 1.00 0.00 C ATOM 1520 O THR A 96 5.797 -3.569 2.597 1.00 0.00 O ATOM 1521 CB THR A 96 4.010 -3.248 0.124 1.00 0.00 C ATOM 1522 OG1 THR A 96 3.243 -2.153 0.589 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.425 -3.691 -1.199 1.00 0.00 C ATOM 0 H THR A 96 2.690 -3.197 2.253 1.00 0.00 H new ATOM 0 HA THR A 96 3.864 -5.325 0.678 1.00 0.00 H new ATOM 0 HB THR A 96 5.049 -2.959 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.834 -1.497 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.425 -2.853 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.025 -4.503 -1.608 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.402 -4.036 -1.047 1.00 0.00 H new ATOM 1531 N LEU A 97 6.182 -5.466 1.451 1.00 0.00 N ATOM 1532 CA LEU A 97 7.529 -5.654 1.976 1.00 0.00 C ATOM 1533 C LEU A 97 8.320 -4.348 1.914 1.00 0.00 C ATOM 1534 O LEU A 97 8.398 -3.710 0.866 1.00 0.00 O ATOM 1535 CB LEU A 97 8.238 -6.748 1.192 1.00 0.00 C ATOM 1536 CG LEU A 97 7.604 -8.132 1.326 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.226 -9.097 0.341 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.749 -8.648 2.748 1.00 0.00 C ATOM 0 H LEU A 97 5.883 -6.189 0.796 1.00 0.00 H new ATOM 0 HA LEU A 97 7.461 -5.956 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.255 -6.470 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.275 -6.803 1.524 1.00 0.00 H new ATOM 0 HG LEU A 97 6.541 -8.049 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.763 -10.078 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.069 -8.732 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.295 -9.177 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.292 -9.635 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.806 -8.717 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.253 -7.963 3.436 1.00 0.00 H new ATOM 1550 N VAL A 98 8.884 -3.945 3.050 1.00 0.00 N ATOM 1551 CA VAL A 98 9.651 -2.700 3.135 1.00 0.00 C ATOM 1552 C VAL A 98 10.606 -2.524 1.956 1.00 0.00 C ATOM 1553 O VAL A 98 10.860 -1.400 1.521 1.00 0.00 O ATOM 1554 CB VAL A 98 10.458 -2.609 4.449 1.00 0.00 C ATOM 1555 CG1 VAL A 98 9.637 -1.927 5.532 1.00 0.00 C ATOM 1556 CG2 VAL A 98 10.917 -3.984 4.909 1.00 0.00 C ATOM 0 H VAL A 98 8.825 -4.462 3.927 1.00 0.00 H new ATOM 0 HA VAL A 98 8.912 -1.899 3.110 1.00 0.00 H new ATOM 0 HB VAL A 98 11.347 -2.008 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.221 -1.872 6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.373 -0.920 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.728 -2.500 5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.482 -3.888 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.048 -4.620 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.550 -4.431 4.143 1.00 0.00 H new ATOM 1566 N ASP A 99 11.138 -3.628 1.444 1.00 0.00 N ATOM 1567 CA ASP A 99 12.066 -3.565 0.319 1.00 0.00 C ATOM 1568 C ASP A 99 11.405 -2.946 -0.914 1.00 0.00 C ATOM 1569 O ASP A 99 12.093 -2.498 -1.832 1.00 0.00 O ATOM 1570 CB ASP A 99 12.617 -4.958 -0.010 1.00 0.00 C ATOM 1571 CG ASP A 99 13.937 -5.234 0.683 1.00 0.00 C ATOM 1572 OD1 ASP A 99 14.981 -5.219 0.000 1.00 0.00 O ATOM 1573 OD2 ASP A 99 13.926 -5.465 1.910 1.00 0.00 O ATOM 0 H ASP A 99 10.946 -4.570 1.785 1.00 0.00 H new ATOM 0 HA ASP A 99 12.897 -2.924 0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.889 -5.713 0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.750 -5.048 -1.088 1.00 0.00 H new ATOM 1578 N ILE A 100 10.072 -2.912 -0.932 1.00 0.00 N ATOM 1579 CA ILE A 100 9.341 -2.331 -2.056 1.00 0.00 C ATOM 1580 C ILE A 100 9.153 -0.828 -1.861 1.00 0.00 C ATOM 1581 O ILE A 100 8.812 -0.378 -0.768 1.00 0.00 O ATOM 1582 CB ILE A 100 7.947 -2.972 -2.242 1.00 0.00 C ATOM 1583 CG1 ILE A 100 8.060 -4.496 -2.353 1.00 0.00 C ATOM 1584 CG2 ILE A 100 7.263 -2.389 -3.474 1.00 0.00 C ATOM 1585 CD1 ILE A 100 6.847 -5.162 -2.973 1.00 0.00 C ATOM 0 H ILE A 100 9.481 -3.278 -0.186 1.00 0.00 H new ATOM 0 HA ILE A 100 9.941 -2.528 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 100 7.339 -2.744 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.940 -4.742 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.221 -4.911 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.282 -2.847 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.148 -1.312 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.870 -2.590 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.006 -6.240 -3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.966 -4.949 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.696 -4.777 -3.982 1.00 0.00 H new ATOM 1597 N PRO A 101 9.362 -0.025 -2.920 1.00 0.00 N ATOM 1598 CA PRO A 101 9.197 1.427 -2.845 1.00 0.00 C ATOM 1599 C PRO A 101 7.776 1.812 -2.444 1.00 0.00 C ATOM 1600 O PRO A 101 7.056 1.017 -1.840 1.00 0.00 O ATOM 1601 CB PRO A 101 9.501 1.909 -4.268 1.00 0.00 C ATOM 1602 CG PRO A 101 10.271 0.799 -4.897 1.00 0.00 C ATOM 1603 CD PRO A 101 9.762 -0.466 -4.268 1.00 0.00 C ATOM 0 HA PRO A 101 9.848 1.873 -2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.583 2.114 -4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.079 2.833 -4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.123 0.785 -5.977 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.340 0.918 -4.723 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.922 -0.883 -4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.532 -1.236 -4.229 1.00 0.00 H new ATOM 1611 N LYS A 102 7.375 3.031 -2.786 1.00 0.00 N ATOM 1612 CA LYS A 102 6.036 3.512 -2.462 1.00 0.00 C ATOM 1613 C LYS A 102 5.211 3.706 -3.731 1.00 0.00 C ATOM 1614 O LYS A 102 4.817 4.825 -4.061 1.00 0.00 O ATOM 1615 CB LYS A 102 6.121 4.826 -1.684 1.00 0.00 C ATOM 1616 CG LYS A 102 4.816 5.215 -1.004 1.00 0.00 C ATOM 1617 CD LYS A 102 4.417 6.647 -1.326 1.00 0.00 C ATOM 1618 CE LYS A 102 4.037 7.418 -0.071 1.00 0.00 C ATOM 1619 NZ LYS A 102 5.234 7.843 0.705 1.00 0.00 N ATOM 0 H LYS A 102 7.956 3.704 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 102 5.543 2.764 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.904 4.742 -0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.418 5.624 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.024 4.537 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.920 5.100 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.243 7.151 -1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.577 6.644 -2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.453 8.296 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.399 6.796 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.931 8.365 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.778 7.004 0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.830 8.457 0.115 1.00 0.00 H new ATOM 1633 N ILE A 103 4.956 2.612 -4.444 1.00 0.00 N ATOM 1634 CA ILE A 103 4.182 2.676 -5.679 1.00 0.00 C ATOM 1635 C ILE A 103 3.422 1.378 -5.941 1.00 0.00 C ATOM 1636 O ILE A 103 2.268 1.411 -6.365 1.00 0.00 O ATOM 1637 CB ILE A 103 5.083 3.009 -6.887 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.252 3.127 -8.169 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.172 1.961 -7.044 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.616 4.488 -8.353 1.00 0.00 C ATOM 0 H ILE A 103 5.272 1.676 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 103 3.454 3.477 -5.552 1.00 0.00 H new ATOM 0 HB ILE A 103 5.559 3.972 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.890 2.914 -9.027 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.470 2.368 -8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.798 2.212 -7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.784 1.935 -6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.716 0.983 -7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.043 4.500 -9.280 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.952 4.696 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.394 5.250 -8.398 1.00 0.00 H new ATOM 1652 N LEU A 104 4.056 0.236 -5.685 1.00 0.00 N ATOM 1653 CA LEU A 104 3.387 -1.044 -5.903 1.00 0.00 C ATOM 1654 C LEU A 104 2.111 -1.116 -5.075 1.00 0.00 C ATOM 1655 O LEU A 104 1.021 -1.202 -5.629 1.00 0.00 O ATOM 1656 CB LEU A 104 4.292 -2.243 -5.574 1.00 0.00 C ATOM 1657 CG LEU A 104 3.566 -3.600 -5.536 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.136 -4.022 -6.934 1.00 0.00 C ATOM 1659 CD2 LEU A 104 4.437 -4.679 -4.909 1.00 0.00 C ATOM 0 H LEU A 104 5.011 0.170 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 104 3.143 -1.102 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.090 -2.293 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.764 -2.071 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 104 2.678 -3.478 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.625 -4.984 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.460 -3.274 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.014 -4.111 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.894 -5.624 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.351 -4.793 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.690 -4.394 -3.888 1.00 0.00 H new ATOM 1671 N PRO A 105 2.220 -1.059 -3.734 1.00 0.00 N ATOM 1672 CA PRO A 105 1.052 -1.107 -2.852 1.00 0.00 C ATOM 1673 C PRO A 105 -0.023 -0.124 -3.296 1.00 0.00 C ATOM 1674 O PRO A 105 -1.211 -0.331 -3.057 1.00 0.00 O ATOM 1675 CB PRO A 105 1.608 -0.717 -1.472 1.00 0.00 C ATOM 1676 CG PRO A 105 3.009 -0.252 -1.712 1.00 0.00 C ATOM 1677 CD PRO A 105 3.467 -0.924 -2.974 1.00 0.00 C ATOM 0 HA PRO A 105 0.575 -2.087 -2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.007 0.071 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.590 -1.566 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.046 0.833 -1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.655 -0.516 -0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.204 -0.325 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.927 -1.892 -2.774 1.00 0.00 H new ATOM 1685 N ILE A 106 0.412 0.944 -3.957 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.500 1.958 -4.453 1.00 0.00 C ATOM 1687 C ILE A 106 -1.216 1.457 -5.705 1.00 0.00 C ATOM 1688 O ILE A 106 -2.388 1.761 -5.929 1.00 0.00 O ATOM 1689 CB ILE A 106 0.253 3.267 -4.762 1.00 0.00 C ATOM 1690 CG1 ILE A 106 0.853 3.850 -3.481 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.657 4.283 -5.435 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.159 3.206 -3.078 1.00 0.00 C ATOM 0 H ILE A 106 1.395 1.126 -4.160 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.240 2.161 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 106 1.062 3.034 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.012 4.920 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.135 3.736 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.096 5.195 -5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.033 3.871 -6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.495 4.513 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.526 3.669 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.002 2.141 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.893 3.343 -3.873 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.502 0.672 -6.508 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.066 0.107 -7.728 1.00 0.00 C ATOM 1706 C ARG A 107 -1.835 -1.174 -7.415 1.00 0.00 C ATOM 1707 O ARG A 107 -2.779 -1.530 -8.117 1.00 0.00 O ATOM 1708 CB ARG A 107 0.043 -0.185 -8.743 1.00 0.00 C ATOM 1709 CG ARG A 107 0.627 1.064 -9.383 1.00 0.00 C ATOM 1710 CD ARG A 107 0.037 1.311 -10.761 1.00 0.00 C ATOM 1711 NE ARG A 107 -1.424 1.304 -10.741 1.00 0.00 N ATOM 1712 CZ ARG A 107 -2.165 2.331 -10.332 1.00 0.00 C ATOM 1713 NH1 ARG A 107 -1.587 3.448 -9.907 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -3.488 2.242 -10.346 1.00 0.00 N ATOM 0 H ARG A 107 0.469 0.413 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.754 0.835 -8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.842 -0.736 -8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.353 -0.833 -9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.435 1.926 -8.744 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.709 0.961 -9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.390 2.270 -11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 107 0.394 0.546 -11.450 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.904 0.462 -11.059 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.570 3.522 -9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.160 4.232 -9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.938 1.386 -10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.055 3.029 -10.032 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.429 -1.851 -6.344 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.079 -3.080 -5.914 1.00 0.00 C ATOM 1730 C ILE A 108 -3.446 -2.764 -5.337 1.00 0.00 C ATOM 1731 O ILE A 108 -4.456 -3.338 -5.746 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.231 -3.817 -4.857 1.00 0.00 C ATOM 1733 CG1 ILE A 108 0.198 -4.004 -5.369 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -1.852 -5.159 -4.499 1.00 0.00 C ATOM 1735 CD1 ILE A 108 0.352 -5.138 -6.356 1.00 0.00 C ATOM 0 H ILE A 108 -0.647 -1.564 -5.756 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.187 -3.729 -6.783 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.204 -3.210 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.529 -3.078 -5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.857 -4.183 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.235 -5.658 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -2.852 -5.001 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.915 -5.781 -5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.393 -5.206 -6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.054 -6.074 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.280 -4.953 -7.225 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.474 -1.827 -4.400 1.00 0.00 N ATOM 1748 CA LEU A 109 -4.720 -1.405 -3.781 1.00 0.00 C ATOM 1749 C LEU A 109 -5.590 -0.706 -4.812 1.00 0.00 C ATOM 1750 O LEU A 109 -6.723 -1.114 -5.062 1.00 0.00 O ATOM 1751 CB LEU A 109 -4.439 -0.481 -2.592 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.458 -1.146 -1.205 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.655 -2.654 -1.310 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.174 -0.832 -0.449 1.00 0.00 C ATOM 0 H LEU A 109 -2.646 -1.344 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.250 -2.282 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.463 -0.019 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.176 0.322 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.304 -0.737 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.663 -3.090 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.603 -2.863 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.840 -3.088 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.202 -1.309 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.319 -1.208 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.080 0.247 -0.324 1.00 0.00 H new ATOM 1766 N SER A 110 -5.040 0.330 -5.437 1.00 0.00 N ATOM 1767 CA SER A 110 -5.763 1.051 -6.472 1.00 0.00 C ATOM 1768 C SER A 110 -6.090 0.097 -7.612 1.00 0.00 C ATOM 1769 O SER A 110 -7.064 0.283 -8.341 1.00 0.00 O ATOM 1770 CB SER A 110 -4.938 2.232 -6.986 1.00 0.00 C ATOM 1771 OG SER A 110 -5.739 3.124 -7.741 1.00 0.00 O ATOM 0 H SER A 110 -4.103 0.685 -5.245 1.00 0.00 H new ATOM 0 HA SER A 110 -6.688 1.446 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.493 2.762 -6.144 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.117 1.865 -7.602 1.00 0.00 H new ATOM 0 HG SER A 110 -5.188 3.871 -8.057 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.270 -0.946 -7.741 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.486 -1.941 -8.769 1.00 0.00 C ATOM 1779 C GLY A 111 -6.695 -2.799 -8.463 1.00 0.00 C ATOM 1780 O GLY A 111 -7.577 -2.952 -9.306 1.00 0.00 O ATOM 0 H GLY A 111 -4.458 -1.116 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.622 -1.448 -9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.602 -2.573 -8.857 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.754 -3.344 -7.247 1.00 0.00 N ATOM 1785 CA LEU A 112 -7.896 -4.162 -6.845 1.00 0.00 C ATOM 1786 C LEU A 112 -9.185 -3.386 -7.090 1.00 0.00 C ATOM 1787 O LEU A 112 -10.242 -3.967 -7.333 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.808 -4.558 -5.363 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.558 -5.346 -4.949 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.148 -4.987 -3.527 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -6.801 -6.843 -5.054 1.00 0.00 C ATOM 0 H LEU A 112 -6.034 -3.235 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.888 -5.075 -7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.856 -3.650 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.687 -5.153 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.751 -5.076 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.260 -5.555 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.929 -3.921 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.961 -5.228 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.900 -7.380 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.625 -7.125 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.052 -7.100 -6.083 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.077 -2.059 -7.034 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.218 -1.189 -7.259 1.00 0.00 C ATOM 1805 C GLN A 113 -10.551 -1.114 -8.746 1.00 0.00 C ATOM 1806 O GLN A 113 -11.677 -0.780 -9.117 1.00 0.00 O ATOM 1807 CB GLN A 113 -9.932 0.213 -6.716 1.00 0.00 C ATOM 1808 CG GLN A 113 -10.475 0.446 -5.314 1.00 0.00 C ATOM 1809 CD GLN A 113 -11.285 1.721 -5.207 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -12.468 1.751 -5.549 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -10.653 2.786 -4.728 1.00 0.00 N ATOM 0 H GLN A 113 -8.206 -1.567 -6.834 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.076 -1.605 -6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -8.855 0.379 -6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.365 0.951 -7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.097 -0.401 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.645 0.487 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.672 2.718 -4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.148 3.672 -4.632 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.576 -1.432 -9.599 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.800 -1.398 -11.037 1.00 0.00 C ATOM 1822 C GLU A 114 -10.631 -2.601 -11.476 1.00 0.00 C ATOM 1823 O GLU A 114 -11.236 -2.587 -12.548 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.465 -1.352 -11.794 1.00 0.00 C ATOM 1825 CG GLU A 114 -7.809 -2.712 -11.994 1.00 0.00 C ATOM 1826 CD GLU A 114 -7.873 -3.184 -13.434 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -7.851 -2.327 -14.341 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -7.944 -4.411 -13.653 1.00 0.00 O ATOM 0 H GLU A 114 -8.636 -1.712 -9.320 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.356 -0.492 -11.277 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.630 -0.895 -12.770 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.775 -0.706 -11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.767 -2.658 -11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.299 -3.445 -11.353 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.665 -3.640 -10.639 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.430 -4.836 -10.958 1.00 0.00 C ATOM 1837 C TYR A 115 -12.904 -4.645 -10.604 1.00 0.00 C ATOM 1838 O TYR A 115 -13.678 -4.141 -11.416 1.00 0.00 O ATOM 1839 CB TYR A 115 -10.852 -6.053 -10.231 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.587 -6.582 -10.864 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -8.396 -5.873 -10.772 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -9.584 -7.783 -11.562 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -7.239 -6.345 -11.356 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -8.426 -8.264 -12.145 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.259 -7.541 -12.041 1.00 0.00 C ATOM 1846 OH TYR A 115 -6.106 -8.015 -12.623 1.00 0.00 O ATOM 0 H TYR A 115 -10.175 -3.673 -9.745 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.359 -5.012 -12.031 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.647 -5.785 -9.195 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.600 -6.846 -10.213 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -8.376 -4.937 -10.234 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -10.499 -8.349 -11.651 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -6.322 -5.780 -11.277 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.437 -9.202 -12.679 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.335 -7.527 -12.266 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.285 -5.046 -9.384 1.00 0.00 N ATOM 1857 CA GLU A 116 -14.665 -4.925 -8.906 1.00 0.00 C ATOM 1858 C GLU A 116 -14.929 -5.911 -7.768 1.00 0.00 C ATOM 1859 O GLU A 116 -15.812 -5.694 -6.938 1.00 0.00 O ATOM 1860 CB GLU A 116 -15.673 -5.166 -10.041 1.00 0.00 C ATOM 1861 CG GLU A 116 -17.105 -5.365 -9.567 1.00 0.00 C ATOM 1862 CD GLU A 116 -18.127 -4.968 -10.615 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -19.288 -5.418 -10.513 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -17.765 -4.209 -11.539 1.00 0.00 O ATOM 0 H GLU A 116 -12.647 -5.461 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.795 -3.907 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.643 -4.318 -10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.363 -6.044 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.253 -6.411 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.270 -4.778 -8.664 1.00 0.00 H new ATOM 1871 N SER A 117 -14.166 -7.001 -7.745 1.00 0.00 N ATOM 1872 CA SER A 117 -14.330 -8.024 -6.718 1.00 0.00 C ATOM 1873 C SER A 117 -13.401 -7.781 -5.530 1.00 0.00 C ATOM 1874 O SER A 117 -13.758 -7.060 -4.600 1.00 0.00 O ATOM 1875 CB SER A 117 -14.090 -9.414 -7.313 1.00 0.00 C ATOM 1876 OG SER A 117 -15.246 -9.890 -7.981 1.00 0.00 O ATOM 0 H SER A 117 -13.431 -7.197 -8.424 1.00 0.00 H new ATOM 0 HA SER A 117 -15.355 -7.968 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.253 -9.375 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.812 -10.109 -6.521 1.00 0.00 H new ATOM 0 HG SER A 117 -15.066 -10.778 -8.353 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.214 -8.392 -5.559 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.242 -8.252 -4.474 1.00 0.00 C ATOM 1884 C ASN A 118 -11.933 -8.288 -3.113 1.00 0.00 C ATOM 1885 O ASN A 118 -11.495 -7.639 -2.163 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.452 -6.948 -4.627 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.344 -5.757 -4.918 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -11.813 -5.578 -6.042 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -11.583 -4.934 -3.903 1.00 0.00 N ATOM 0 H ASN A 118 -11.903 -8.990 -6.325 1.00 0.00 H new ATOM 0 HA ASN A 118 -10.551 -9.093 -4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.888 -6.760 -3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -9.726 -7.059 -5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.176 -4.115 -4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -11.174 -5.121 -2.988 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.035 -9.033 -3.036 1.00 0.00 N ATOM 1897 CA ALA A 119 -13.805 -9.129 -1.802 1.00 0.00 C ATOM 1898 C ALA A 119 -13.719 -10.511 -1.155 1.00 0.00 C ATOM 1899 O ALA A 119 -14.680 -10.963 -0.530 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.256 -8.774 -2.080 1.00 0.00 C ATOM 0 H ALA A 119 -13.412 -9.577 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.372 -8.422 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -15.831 -8.846 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.314 -7.756 -2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.665 -9.465 -2.817 1.00 0.00 H new ATOM 1906 N THR A 120 -12.577 -11.176 -1.281 1.00 0.00 N ATOM 1907 CA THR A 120 -12.404 -12.491 -0.677 1.00 0.00 C ATOM 1908 C THR A 120 -10.974 -12.668 -0.192 1.00 0.00 C ATOM 1909 O THR A 120 -10.065 -11.976 -0.648 1.00 0.00 O ATOM 1910 CB THR A 120 -12.776 -13.609 -1.661 1.00 0.00 C ATOM 1911 OG1 THR A 120 -11.616 -14.206 -2.212 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.645 -13.146 -2.813 1.00 0.00 C ATOM 0 H THR A 120 -11.764 -10.830 -1.791 1.00 0.00 H new ATOM 0 HA THR A 120 -13.077 -12.558 0.178 1.00 0.00 H new ATOM 0 HB THR A 120 -13.346 -14.324 -1.068 1.00 0.00 H new ATOM 0 HG1 THR A 120 -11.859 -15.047 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 120 -13.866 -13.991 -3.465 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.576 -12.735 -2.424 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.119 -12.378 -3.380 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.773 -13.605 0.725 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.442 -13.865 1.255 1.00 0.00 C ATOM 1922 C ASN A 121 -8.617 -14.702 0.290 1.00 0.00 C ATOM 1923 O ASN A 121 -7.614 -15.301 0.677 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.532 -14.563 2.615 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.378 -15.819 2.564 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -9.877 -16.908 2.286 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -11.671 -15.673 2.831 1.00 0.00 N ATOM 0 H ASN A 121 -11.509 -14.194 1.115 1.00 0.00 H new ATOM 0 HA ASN A 121 -8.943 -12.905 1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -8.529 -14.817 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -9.953 -13.874 3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -12.291 -16.483 2.810 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.044 -14.751 3.057 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.026 -14.723 -0.973 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.306 -15.465 -1.981 1.00 0.00 C ATOM 1936 C GLU A 122 -8.729 -14.999 -3.363 1.00 0.00 C ATOM 1937 O GLU A 122 -8.624 -15.737 -4.341 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.551 -16.970 -1.826 1.00 0.00 C ATOM 1939 CG GLU A 122 -7.284 -17.770 -1.569 1.00 0.00 C ATOM 1940 CD GLU A 122 -7.253 -19.077 -2.338 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -6.724 -20.072 -1.798 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -7.758 -19.104 -3.480 1.00 0.00 O ATOM 0 H GLU A 122 -9.852 -14.233 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.239 -15.281 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.247 -17.133 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.031 -17.346 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -6.417 -17.170 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.200 -17.978 -0.502 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.211 -13.761 -3.434 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.650 -13.194 -4.687 1.00 0.00 C ATOM 1951 C LEU A 123 -8.911 -11.895 -4.940 1.00 0.00 C ATOM 1952 O LEU A 123 -8.331 -11.694 -6.007 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.152 -12.972 -4.645 1.00 0.00 C ATOM 1954 CG LEU A 123 -11.778 -12.594 -5.972 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.287 -12.666 -5.864 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.322 -11.208 -6.379 1.00 0.00 C ATOM 0 H LEU A 123 -9.304 -13.138 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.429 -13.879 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.629 -13.882 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.369 -12.187 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.458 -13.296 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -13.734 -12.393 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.585 -13.681 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.630 -11.976 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -11.775 -10.942 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -11.626 -10.487 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.236 -11.196 -6.477 1.00 0.00 H new ATOM 1968 N LEU A 124 -8.898 -11.026 -3.938 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.183 -9.768 -4.046 1.00 0.00 C ATOM 1970 C LEU A 124 -6.739 -10.065 -4.409 1.00 0.00 C ATOM 1971 O LEU A 124 -6.179 -9.473 -5.332 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.286 -8.992 -2.735 1.00 0.00 C ATOM 1973 CG LEU A 124 -6.993 -8.856 -1.933 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -6.934 -7.492 -1.280 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -6.894 -9.968 -0.901 1.00 0.00 C ATOM 0 H LEU A 124 -9.373 -11.171 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.622 -9.145 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.660 -7.992 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.031 -9.479 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.140 -8.949 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.010 -7.401 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.964 -6.719 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.786 -7.372 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.968 -9.859 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.743 -9.909 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -6.900 -10.934 -1.406 1.00 0.00 H new ATOM 1987 N SER A 125 -6.149 -11.019 -3.687 1.00 0.00 N ATOM 1988 CA SER A 125 -4.775 -11.433 -3.945 1.00 0.00 C ATOM 1989 C SER A 125 -4.556 -11.639 -5.442 1.00 0.00 C ATOM 1990 O SER A 125 -3.461 -11.411 -5.969 1.00 0.00 O ATOM 1991 CB SER A 125 -4.469 -12.733 -3.200 1.00 0.00 C ATOM 1992 OG SER A 125 -5.276 -13.796 -3.681 1.00 0.00 O ATOM 0 H SER A 125 -6.603 -11.517 -2.921 1.00 0.00 H new ATOM 0 HA SER A 125 -4.105 -10.649 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.416 -12.987 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.642 -12.594 -2.133 1.00 0.00 H new ATOM 0 HG SER A 125 -5.061 -14.617 -3.191 1.00 0.00 H new ATOM 1998 N SER A 126 -5.617 -12.067 -6.120 1.00 0.00 N ATOM 1999 CA SER A 126 -5.561 -12.309 -7.552 1.00 0.00 C ATOM 2000 C SER A 126 -5.212 -11.044 -8.304 1.00 0.00 C ATOM 2001 O SER A 126 -4.248 -11.006 -9.070 1.00 0.00 O ATOM 2002 CB SER A 126 -6.906 -12.835 -8.038 1.00 0.00 C ATOM 2003 OG SER A 126 -6.743 -13.818 -9.045 1.00 0.00 O ATOM 0 H SER A 126 -6.526 -12.253 -5.697 1.00 0.00 H new ATOM 0 HA SER A 126 -4.784 -13.049 -7.742 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.457 -13.259 -7.199 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.503 -12.009 -8.426 1.00 0.00 H new ATOM 0 HG SER A 126 -7.623 -14.138 -9.336 1.00 0.00 H new ATOM 2009 N HIS A 127 -5.997 -10.008 -8.080 1.00 0.00 N ATOM 2010 CA HIS A 127 -5.762 -8.740 -8.737 1.00 0.00 C ATOM 2011 C HIS A 127 -4.367 -8.244 -8.400 1.00 0.00 C ATOM 2012 O HIS A 127 -3.681 -7.682 -9.243 1.00 0.00 O ATOM 2013 CB HIS A 127 -6.813 -7.709 -8.330 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.217 -8.228 -8.378 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -9.306 -7.494 -7.960 1.00 0.00 N ATOM 2016 CD2 HIS A 127 -8.709 -9.417 -8.804 1.00 0.00 C ATOM 2017 CE1 HIS A 127 -10.405 -8.207 -8.125 1.00 0.00 C ATOM 2018 NE2 HIS A 127 -10.071 -9.377 -8.636 1.00 0.00 N ATOM 0 H HIS A 127 -6.799 -10.020 -7.451 1.00 0.00 H new ATOM 0 HA HIS A 127 -5.840 -8.884 -9.815 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -6.597 -7.363 -7.319 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -6.733 -6.843 -8.987 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -8.136 -10.242 -9.201 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -11.408 -7.887 -7.883 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -10.719 -10.129 -8.868 1.00 0.00 H new ATOM 2027 N VAL A 128 -3.942 -8.475 -7.164 1.00 0.00 N ATOM 2028 CA VAL A 128 -2.612 -8.056 -6.741 1.00 0.00 C ATOM 2029 C VAL A 128 -1.573 -8.538 -7.741 1.00 0.00 C ATOM 2030 O VAL A 128 -0.743 -7.760 -8.209 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.245 -8.588 -5.340 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -0.878 -8.057 -4.908 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.318 -8.218 -4.328 1.00 0.00 C ATOM 0 H VAL A 128 -4.492 -8.945 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.622 -6.967 -6.695 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.188 -9.675 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -0.635 -8.442 -3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.120 -8.382 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.904 -6.968 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.040 -8.602 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.414 -7.133 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.270 -8.653 -4.632 1.00 0.00 H new ATOM 2043 N GLY A 129 -1.631 -9.825 -8.079 1.00 0.00 N ATOM 2044 CA GLY A 129 -0.684 -10.363 -9.036 1.00 0.00 C ATOM 2045 C GLY A 129 -0.926 -9.843 -10.442 1.00 0.00 C ATOM 2046 O GLY A 129 0.002 -9.381 -11.109 1.00 0.00 O ATOM 0 H GLY A 129 -2.307 -10.495 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.329 -10.106 -8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.750 -11.451 -9.037 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.176 -9.912 -10.890 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.539 -9.441 -12.223 1.00 0.00 C ATOM 2052 C GLN A 130 -2.322 -7.935 -12.356 1.00 0.00 C ATOM 2053 O GLN A 130 -2.216 -7.412 -13.465 1.00 0.00 O ATOM 2054 CB GLN A 130 -3.996 -9.787 -12.532 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.198 -11.226 -12.976 1.00 0.00 C ATOM 2056 CD GLN A 130 -4.000 -11.408 -14.468 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -2.898 -11.699 -14.930 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -5.074 -11.237 -15.233 1.00 0.00 N ATOM 0 H GLN A 130 -2.955 -10.289 -10.350 1.00 0.00 H new ATOM 0 HA GLN A 130 -1.892 -9.944 -12.941 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.601 -9.601 -11.645 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.362 -9.120 -13.313 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.501 -11.869 -12.439 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -5.203 -11.549 -12.704 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -5.970 -10.996 -14.808 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -5.002 -11.347 -16.245 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.233 -7.245 -11.221 1.00 0.00 N ATOM 2068 CA ILE A 131 -2.003 -5.807 -11.220 1.00 0.00 C ATOM 2069 C ILE A 131 -0.504 -5.544 -11.175 1.00 0.00 C ATOM 2070 O ILE A 131 -0.012 -4.539 -11.688 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.717 -5.125 -10.033 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.225 -5.282 -10.188 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.365 -3.644 -9.939 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -4.975 -5.148 -8.889 1.00 0.00 C ATOM 0 H ILE A 131 -2.317 -7.660 -10.293 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.420 -5.380 -12.132 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.381 -5.608 -9.116 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.591 -4.532 -10.890 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.439 -6.258 -10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.887 -3.199 -9.092 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.289 -3.534 -9.801 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.667 -3.139 -10.857 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.043 -5.270 -9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.636 -5.914 -8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.790 -4.162 -8.462 1.00 0.00 H new ATOM 2086 N LEU A 132 0.214 -6.490 -10.574 1.00 0.00 N ATOM 2087 CA LEU A 132 1.662 -6.415 -10.468 1.00 0.00 C ATOM 2088 C LEU A 132 2.291 -6.467 -11.855 1.00 0.00 C ATOM 2089 O LEU A 132 3.246 -5.747 -12.147 1.00 0.00 O ATOM 2090 CB LEU A 132 2.183 -7.572 -9.614 1.00 0.00 C ATOM 2091 CG LEU A 132 2.357 -7.249 -8.131 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.831 -8.383 -7.263 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.817 -6.969 -7.823 1.00 0.00 C ATOM 0 H LEU A 132 -0.192 -7.324 -10.150 1.00 0.00 H new ATOM 0 HA LEU A 132 1.934 -5.472 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.496 -8.413 -9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 132 3.143 -7.897 -10.015 1.00 0.00 H new ATOM 0 HG LEU A 132 1.776 -6.356 -7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.966 -8.129 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.771 -8.535 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 132 2.379 -9.298 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.928 -6.740 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.416 -7.846 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.157 -6.119 -8.415 1.00 0.00 H new ATOM 2105 N ASP A 133 1.745 -7.325 -12.712 1.00 0.00 N ATOM 2106 CA ASP A 133 2.249 -7.465 -14.072 1.00 0.00 C ATOM 2107 C ASP A 133 2.037 -6.173 -14.854 1.00 0.00 C ATOM 2108 O ASP A 133 2.834 -5.821 -15.724 1.00 0.00 O ATOM 2109 CB ASP A 133 1.553 -8.627 -14.783 1.00 0.00 C ATOM 2110 CG ASP A 133 2.415 -9.236 -15.873 1.00 0.00 C ATOM 2111 OD1 ASP A 133 2.189 -8.913 -17.058 1.00 0.00 O ATOM 2112 OD2 ASP A 133 3.314 -10.034 -15.539 1.00 0.00 O ATOM 0 H ASP A 133 0.956 -7.932 -12.489 1.00 0.00 H new ATOM 0 HA ASP A 133 3.318 -7.674 -14.022 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.297 -9.395 -14.053 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.617 -8.276 -15.217 1.00 0.00 H new ATOM 2117 N SER A 134 0.957 -5.468 -14.531 1.00 0.00 N ATOM 2118 CA SER A 134 0.632 -4.210 -15.194 1.00 0.00 C ATOM 2119 C SER A 134 1.328 -3.035 -14.507 1.00 0.00 C ATOM 2120 O SER A 134 1.418 -1.944 -15.071 1.00 0.00 O ATOM 2121 CB SER A 134 -0.882 -3.990 -15.196 1.00 0.00 C ATOM 2122 OG SER A 134 -1.460 -4.437 -16.411 1.00 0.00 O ATOM 0 H SER A 134 0.290 -5.748 -13.812 1.00 0.00 H new ATOM 0 HA SER A 134 0.987 -4.267 -16.223 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.331 -4.523 -14.358 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.099 -2.931 -15.054 1.00 0.00 H new ATOM 0 HG SER A 134 -2.428 -4.287 -16.387 1.00 0.00 H new ATOM 2128 N PHE A 135 1.814 -3.261 -13.288 1.00 0.00 N ATOM 2129 CA PHE A 135 2.501 -2.220 -12.530 1.00 0.00 C ATOM 2130 C PHE A 135 3.597 -1.567 -13.370 1.00 0.00 C ATOM 2131 O PHE A 135 3.808 -0.356 -13.297 1.00 0.00 O ATOM 2132 CB PHE A 135 3.094 -2.810 -11.247 1.00 0.00 C ATOM 2133 CG PHE A 135 4.098 -1.917 -10.571 1.00 0.00 C ATOM 2134 CD1 PHE A 135 3.688 -0.956 -9.662 1.00 0.00 C ATOM 2135 CD2 PHE A 135 5.449 -2.040 -10.848 1.00 0.00 C ATOM 2136 CE1 PHE A 135 4.610 -0.134 -9.042 1.00 0.00 C ATOM 2137 CE2 PHE A 135 6.374 -1.221 -10.231 1.00 0.00 C ATOM 2138 CZ PHE A 135 5.954 -0.266 -9.328 1.00 0.00 C ATOM 0 H PHE A 135 1.744 -4.157 -12.805 1.00 0.00 H new ATOM 0 HA PHE A 135 1.775 -1.452 -12.265 1.00 0.00 H new ATOM 0 HB2 PHE A 135 2.284 -3.023 -10.549 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.570 -3.762 -11.483 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.638 -0.848 -9.435 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.783 -2.785 -11.555 1.00 0.00 H new ATOM 0 HE1 PHE A 135 4.279 0.611 -8.334 1.00 0.00 H new ATOM 0 HE2 PHE A 135 7.425 -1.328 -10.455 1.00 0.00 H new ATOM 0 HZ PHE A 135 6.675 0.377 -8.846 1.00 0.00 H new