USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 CYS SG : rot 85:sc= 0.0331 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -2.75 K(o=-2.7,f=-7.2!) USER MOD Set 2.1: A 33 HIS : no HE2:sc= -2.98! C(o=-3!,f=-8!) USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.3!) USER MOD Single : A 19 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.7!) USER MOD Single : A 20 SER OG : rot -55:sc= 0.087 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -0.0603 (180deg=-0.349) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot -66:sc= 0.368 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.31) USER MOD Single : A 35 HIS : no HD1:sc= -1.98! C(o=-2!,f=-3.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.124 K(o=0.12,f=-4.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 48 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-1.8) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -79:sc= -0.542 USER MOD Single : A 74 LYS NZ :NH3+ -154:sc= -0.0744 (180deg=-0.512) USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= 0.257 (180deg=0.0021) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 177:sc= -0.583 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -143:sc= -2.36 (180deg=-6.21!) USER MOD Single : A 91 HIS : no HD1:sc= -0.0335 X(o=-0.033,f=-0.033) USER MOD Single : A 98 SER OG : rot 87:sc=0.000476 USER MOD Single : A 100 SER OG : rot 25:sc= 0.567 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -2.893 -10.234 7.141 1.00 0.00 N ATOM 137 CA TYR A 13 -2.232 -10.830 5.986 1.00 0.00 C ATOM 138 C TYR A 13 -3.028 -10.575 4.711 1.00 0.00 C ATOM 139 O TYR A 13 -4.181 -10.992 4.590 1.00 0.00 O ATOM 140 CB TYR A 13 -2.051 -12.335 6.196 1.00 0.00 C ATOM 141 CG TYR A 13 -3.319 -13.132 5.989 1.00 0.00 C ATOM 142 CD1 TYR A 13 -4.421 -12.948 6.815 1.00 0.00 C ATOM 143 CD2 TYR A 13 -3.415 -14.068 4.967 1.00 0.00 C ATOM 144 CE1 TYR A 13 -5.581 -13.675 6.630 1.00 0.00 C ATOM 145 CE2 TYR A 13 -4.572 -14.798 4.774 1.00 0.00 C ATOM 146 CZ TYR A 13 -5.652 -14.598 5.608 1.00 0.00 C ATOM 147 OH TYR A 13 -6.806 -15.324 5.419 1.00 0.00 O ATOM 0 HA TYR A 13 -1.252 -10.364 5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.287 -12.700 5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.682 -12.511 7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.370 -12.224 7.615 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.571 -14.228 4.312 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.428 -13.521 7.282 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.630 -15.521 3.974 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.691 -15.929 4.657 1.00 0.00 H new ATOM 157 N LEU A 14 -2.406 -9.888 3.759 1.00 0.00 N ATOM 158 CA LEU A 14 -3.055 -9.577 2.491 1.00 0.00 C ATOM 159 C LEU A 14 -2.273 -10.165 1.320 1.00 0.00 C ATOM 160 O LEU A 14 -1.086 -10.464 1.442 1.00 0.00 O ATOM 161 CB LEU A 14 -3.187 -8.063 2.321 1.00 0.00 C ATOM 162 CG LEU A 14 -4.467 -7.435 2.874 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.419 -5.921 2.741 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.688 -7.996 2.161 1.00 0.00 C ATOM 0 H LEU A 14 -1.452 -9.536 3.842 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.049 -10.024 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.334 -7.587 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.121 -7.830 1.258 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.543 -7.684 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.338 -5.491 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.566 -5.534 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.319 -5.651 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.589 -7.538 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.619 -7.778 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.732 -9.075 2.308 1.00 0.00 H new ATOM 176 N ASN A 15 -2.946 -10.325 0.186 1.00 0.00 N ATOM 177 CA ASN A 15 -2.314 -10.875 -1.008 1.00 0.00 C ATOM 178 C ASN A 15 -1.694 -9.768 -1.854 1.00 0.00 C ATOM 179 O ASN A 15 -2.403 -8.987 -2.490 1.00 0.00 O ATOM 180 CB ASN A 15 -3.335 -11.656 -1.837 1.00 0.00 C ATOM 181 CG ASN A 15 -3.457 -13.101 -1.394 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.661 -13.584 -0.588 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.456 -13.799 -1.920 1.00 0.00 N ATOM 0 H ASN A 15 -3.930 -10.082 0.068 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.521 -11.552 -0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.308 -11.172 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.046 -11.624 -2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.588 -14.776 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.092 -13.358 -2.584 1.00 0.00 H new ATOM 190 N VAL A 16 -0.366 -9.707 -1.859 1.00 0.00 N ATOM 191 CA VAL A 16 0.350 -8.697 -2.629 1.00 0.00 C ATOM 192 C VAL A 16 0.746 -9.230 -4.001 1.00 0.00 C ATOM 193 O VAL A 16 1.667 -10.039 -4.123 1.00 0.00 O ATOM 194 CB VAL A 16 1.615 -8.221 -1.891 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.337 -7.155 -2.701 1.00 0.00 C ATOM 196 CG2 VAL A 16 1.259 -7.700 -0.507 1.00 0.00 C ATOM 0 H VAL A 16 0.236 -10.345 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.329 -7.853 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 16 2.287 -9.071 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.228 -6.831 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.626 -7.566 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.675 -6.303 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.165 -7.368 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.567 -6.863 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.790 -8.496 0.072 1.00 0.00 H new ATOM 206 N LEU A 17 0.046 -8.772 -5.033 1.00 0.00 N ATOM 207 CA LEU A 17 0.325 -9.202 -6.399 1.00 0.00 C ATOM 208 C LEU A 17 1.819 -9.132 -6.697 1.00 0.00 C ATOM 209 O LEU A 17 2.452 -8.093 -6.510 1.00 0.00 O ATOM 210 CB LEU A 17 -0.448 -8.336 -7.395 1.00 0.00 C ATOM 211 CG LEU A 17 -0.429 -8.807 -8.849 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.177 -10.123 -8.994 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.030 -7.746 -9.761 1.00 0.00 C ATOM 0 H LEU A 17 -0.719 -8.103 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 17 0.002 -10.238 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.486 -8.278 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.044 -7.324 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 17 0.608 -8.968 -9.145 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.153 -10.442 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.703 -10.881 -8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.212 -9.990 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.008 -8.098 -10.792 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.061 -7.553 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.451 -6.826 -9.680 1.00 0.00 H new ATOM 225 N VAL A 18 2.376 -10.244 -7.166 1.00 0.00 N ATOM 226 CA VAL A 18 3.795 -10.308 -7.495 1.00 0.00 C ATOM 227 C VAL A 18 4.024 -11.070 -8.795 1.00 0.00 C ATOM 228 O VAL A 18 3.531 -12.183 -8.969 1.00 0.00 O ATOM 229 CB VAL A 18 4.602 -10.982 -6.369 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.061 -11.132 -6.773 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.477 -10.189 -5.077 1.00 0.00 C ATOM 0 H VAL A 18 1.866 -11.113 -7.327 1.00 0.00 H new ATOM 0 HA VAL A 18 4.139 -9.281 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 18 4.193 -11.978 -6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.615 -11.610 -5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.129 -11.745 -7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.486 -10.148 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.053 -10.679 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.859 -9.180 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.429 -10.139 -4.781 1.00 0.00 H new ATOM 241 N ASN A 19 4.777 -10.462 -9.706 1.00 0.00 N ATOM 242 CA ASN A 19 5.072 -11.083 -10.992 1.00 0.00 C ATOM 243 C ASN A 19 3.826 -11.740 -11.577 1.00 0.00 C ATOM 244 O ASN A 19 3.878 -12.868 -12.068 1.00 0.00 O ATOM 245 CB ASN A 19 6.185 -12.122 -10.837 1.00 0.00 C ATOM 246 CG ASN A 19 7.567 -11.516 -10.987 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.748 -10.524 -11.693 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.550 -12.112 -10.323 1.00 0.00 N ATOM 0 H ASN A 19 5.194 -9.540 -9.577 1.00 0.00 H new ATOM 0 HA ASN A 19 5.405 -10.303 -11.676 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.103 -12.595 -9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.052 -12.906 -11.582 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.501 -11.750 -10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.354 -12.932 -9.749 1.00 0.00 H new ATOM 255 N SER A 20 2.706 -11.026 -11.523 1.00 0.00 N ATOM 256 CA SER A 20 1.445 -11.541 -12.045 1.00 0.00 C ATOM 257 C SER A 20 1.014 -12.792 -11.286 1.00 0.00 C ATOM 258 O SER A 20 0.459 -13.723 -11.870 1.00 0.00 O ATOM 259 CB SER A 20 1.576 -11.854 -13.536 1.00 0.00 C ATOM 260 OG SER A 20 0.303 -11.947 -14.152 1.00 0.00 O ATOM 0 H SER A 20 2.646 -10.090 -11.123 1.00 0.00 H new ATOM 0 HA SER A 20 0.683 -10.774 -11.908 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.163 -11.076 -14.024 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.116 -12.791 -13.668 1.00 0.00 H new ATOM 0 HG SER A 20 -0.242 -12.609 -13.678 1.00 0.00 H new ATOM 266 N GLN A 21 1.273 -12.806 -9.983 1.00 0.00 N ATOM 267 CA GLN A 21 0.913 -13.943 -9.145 1.00 0.00 C ATOM 268 C GLN A 21 0.602 -13.493 -7.721 1.00 0.00 C ATOM 269 O GLN A 21 1.427 -12.854 -7.068 1.00 0.00 O ATOM 270 CB GLN A 21 2.044 -14.973 -9.131 1.00 0.00 C ATOM 271 CG GLN A 21 2.026 -15.913 -10.326 1.00 0.00 C ATOM 272 CD GLN A 21 3.112 -16.968 -10.255 1.00 0.00 C ATOM 273 OE1 GLN A 21 4.297 -16.650 -10.157 1.00 0.00 O ATOM 274 NE2 GLN A 21 2.712 -18.233 -10.304 1.00 0.00 N ATOM 0 H GLN A 21 1.731 -12.043 -9.485 1.00 0.00 H new ATOM 0 HA GLN A 21 0.018 -14.402 -9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.000 -14.450 -9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.977 -15.561 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.053 -16.402 -10.384 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.147 -15.333 -11.241 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.719 -18.451 -10.385 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.398 -18.987 -10.260 1.00 0.00 H new ATOM 283 N TRP A 22 -0.592 -13.831 -7.247 1.00 0.00 N ATOM 284 CA TRP A 22 -1.011 -13.460 -5.900 1.00 0.00 C ATOM 285 C TRP A 22 -0.262 -14.276 -4.853 1.00 0.00 C ATOM 286 O TRP A 22 -0.553 -15.454 -4.644 1.00 0.00 O ATOM 287 CB TRP A 22 -2.519 -13.663 -5.740 1.00 0.00 C ATOM 288 CG TRP A 22 -3.335 -12.799 -6.652 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.942 -13.178 -7.815 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.631 -11.409 -6.478 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.598 -12.108 -8.374 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.423 -11.011 -7.572 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.306 -10.462 -5.502 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.892 -9.708 -7.717 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.772 -9.169 -5.647 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.559 -8.802 -6.747 1.00 0.00 C ATOM 0 H TRP A 22 -1.286 -14.361 -7.774 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.775 -12.407 -5.749 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.760 -14.709 -5.931 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.799 -13.455 -4.707 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.911 -14.173 -8.234 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.129 -12.127 -9.245 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.702 -10.736 -4.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.497 -9.423 -8.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.526 -8.429 -4.900 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.910 -7.784 -6.831 1.00 0.00 H new ATOM 307 N LYS A 23 0.704 -13.643 -4.196 1.00 0.00 N ATOM 308 CA LYS A 23 1.495 -14.310 -3.169 1.00 0.00 C ATOM 309 C LYS A 23 1.068 -13.860 -1.775 1.00 0.00 C ATOM 310 O LYS A 23 0.522 -12.770 -1.605 1.00 0.00 O ATOM 311 CB LYS A 23 2.984 -14.022 -3.375 1.00 0.00 C ATOM 312 CG LYS A 23 3.353 -13.733 -4.819 1.00 0.00 C ATOM 313 CD LYS A 23 3.135 -14.948 -5.705 1.00 0.00 C ATOM 314 CE LYS A 23 4.387 -15.808 -5.789 1.00 0.00 C ATOM 315 NZ LYS A 23 5.478 -15.127 -6.539 1.00 0.00 N ATOM 0 H LYS A 23 0.958 -12.668 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 23 1.323 -15.383 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.269 -13.170 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.563 -14.877 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.755 -12.900 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.397 -13.424 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.310 -15.542 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.847 -14.624 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.732 -16.047 -4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.146 -16.753 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.148 -15.837 -6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.073 -14.599 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.976 -14.469 -5.906 1.00 0.00 H new ATOM 329 N SER A 24 1.320 -14.706 -0.782 1.00 0.00 N ATOM 330 CA SER A 24 0.959 -14.396 0.597 1.00 0.00 C ATOM 331 C SER A 24 1.967 -13.434 1.219 1.00 0.00 C ATOM 332 O SER A 24 3.130 -13.784 1.424 1.00 0.00 O ATOM 333 CB SER A 24 0.881 -15.678 1.427 1.00 0.00 C ATOM 334 OG SER A 24 0.501 -15.399 2.763 1.00 0.00 O ATOM 0 H SER A 24 1.773 -15.612 -0.906 1.00 0.00 H new ATOM 0 HA SER A 24 -0.020 -13.916 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.162 -16.363 0.977 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.849 -16.180 1.418 1.00 0.00 H new ATOM 0 HG SER A 24 0.457 -16.235 3.272 1.00 0.00 H new ATOM 340 N ARG A 25 1.512 -12.222 1.518 1.00 0.00 N ATOM 341 CA ARG A 25 2.373 -11.209 2.115 1.00 0.00 C ATOM 342 C ARG A 25 1.663 -10.501 3.266 1.00 0.00 C ATOM 343 O ARG A 25 0.435 -10.421 3.294 1.00 0.00 O ATOM 344 CB ARG A 25 2.802 -10.186 1.061 1.00 0.00 C ATOM 345 CG ARG A 25 3.831 -9.187 1.565 1.00 0.00 C ATOM 346 CD ARG A 25 5.199 -9.830 1.725 1.00 0.00 C ATOM 347 NE ARG A 25 5.998 -9.730 0.507 1.00 0.00 N ATOM 348 CZ ARG A 25 6.981 -10.569 0.201 1.00 0.00 C ATOM 349 NH1 ARG A 25 7.285 -11.566 1.021 1.00 0.00 N ATOM 350 NH2 ARG A 25 7.662 -10.413 -0.926 1.00 0.00 N ATOM 0 H ARG A 25 0.552 -11.918 1.357 1.00 0.00 H new ATOM 0 HA ARG A 25 3.259 -11.708 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.212 -10.714 0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.922 -9.644 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.900 -8.351 0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.505 -8.779 2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.731 -9.351 2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.077 -10.879 1.993 1.00 0.00 H new ATOM 0 HE ARG A 25 5.790 -8.974 -0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.763 -11.690 1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.040 -12.209 0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.431 -9.648 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.417 -11.058 -1.159 1.00 0.00 H new ATOM 364 N TRP A 26 2.443 -9.992 4.212 1.00 0.00 N ATOM 365 CA TRP A 26 1.889 -9.292 5.365 1.00 0.00 C ATOM 366 C TRP A 26 1.951 -7.782 5.167 1.00 0.00 C ATOM 367 O TRP A 26 3.033 -7.204 5.062 1.00 0.00 O ATOM 368 CB TRP A 26 2.644 -9.684 6.637 1.00 0.00 C ATOM 369 CG TRP A 26 1.852 -9.462 7.890 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.432 -8.264 8.393 1.00 0.00 C ATOM 371 CD2 TRP A 26 1.387 -10.466 8.799 1.00 0.00 C ATOM 372 NE1 TRP A 26 0.734 -8.462 9.560 1.00 0.00 N ATOM 373 CE2 TRP A 26 0.692 -9.804 9.830 1.00 0.00 C ATOM 374 CE3 TRP A 26 1.489 -11.859 8.842 1.00 0.00 C ATOM 375 CZ2 TRP A 26 0.104 -10.489 10.890 1.00 0.00 C ATOM 376 CZ3 TRP A 26 0.906 -12.537 9.894 1.00 0.00 C ATOM 377 CH2 TRP A 26 0.220 -11.853 10.906 1.00 0.00 C ATOM 0 H TRP A 26 3.461 -10.051 4.204 1.00 0.00 H new ATOM 0 HA TRP A 26 0.844 -9.583 5.467 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.925 -10.735 6.575 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.569 -9.110 6.694 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.621 -7.302 7.940 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.315 -7.729 10.132 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.015 -12.396 8.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -0.425 -9.963 11.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.980 -13.614 9.937 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -0.226 -12.413 11.715 1.00 0.00 H new ATOM 388 N CYS A 27 0.784 -7.148 5.118 1.00 0.00 N ATOM 389 CA CYS A 27 0.707 -5.703 4.931 1.00 0.00 C ATOM 390 C CYS A 27 0.392 -5.001 6.248 1.00 0.00 C ATOM 391 O CYS A 27 -0.434 -5.471 7.031 1.00 0.00 O ATOM 392 CB CYS A 27 -0.357 -5.359 3.888 1.00 0.00 C ATOM 393 SG CYS A 27 0.010 -5.975 2.228 1.00 0.00 S ATOM 0 H CYS A 27 -0.121 -7.611 5.205 1.00 0.00 H new ATOM 0 HA CYS A 27 1.677 -5.354 4.577 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.314 -5.768 4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.471 -4.276 3.845 1.00 0.00 H new ATOM 0 HG CYS A 27 1.060 -5.367 1.762 1.00 0.00 H new ATOM 399 N SER A 28 1.056 -3.875 6.487 1.00 0.00 N ATOM 400 CA SER A 28 0.851 -3.111 7.712 1.00 0.00 C ATOM 401 C SER A 28 0.928 -1.613 7.436 1.00 0.00 C ATOM 402 O SER A 28 1.916 -1.120 6.890 1.00 0.00 O ATOM 403 CB SER A 28 1.892 -3.503 8.762 1.00 0.00 C ATOM 404 OG SER A 28 1.473 -3.121 10.061 1.00 0.00 O ATOM 0 H SER A 28 1.741 -3.471 5.848 1.00 0.00 H new ATOM 0 HA SER A 28 -0.144 -3.341 8.094 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.057 -4.580 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.845 -3.028 8.529 1.00 0.00 H new ATOM 0 HG SER A 28 2.154 -3.384 10.715 1.00 0.00 H new ATOM 410 N VAL A 29 -0.121 -0.892 7.819 1.00 0.00 N ATOM 411 CA VAL A 29 -0.174 0.551 7.615 1.00 0.00 C ATOM 412 C VAL A 29 -0.222 1.292 8.946 1.00 0.00 C ATOM 413 O VAL A 29 -1.083 1.027 9.785 1.00 0.00 O ATOM 414 CB VAL A 29 -1.396 0.954 6.770 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.498 2.469 6.667 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.321 0.322 5.389 1.00 0.00 C ATOM 0 H VAL A 29 -0.946 -1.284 8.273 1.00 0.00 H new ATOM 0 HA VAL A 29 0.734 0.829 7.080 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.295 0.586 7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.368 2.735 6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.602 2.895 7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.597 2.863 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.193 0.618 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.415 0.658 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.301 -0.763 5.486 1.00 0.00 H new ATOM 426 N ARG A 30 0.708 2.223 9.133 1.00 0.00 N ATOM 427 CA ARG A 30 0.771 3.004 10.363 1.00 0.00 C ATOM 428 C ARG A 30 0.886 4.494 10.056 1.00 0.00 C ATOM 429 O ARG A 30 -0.073 5.247 10.221 1.00 0.00 O ATOM 430 CB ARG A 30 1.959 2.555 11.216 1.00 0.00 C ATOM 431 CG ARG A 30 2.013 3.218 12.582 1.00 0.00 C ATOM 432 CD ARG A 30 2.571 4.630 12.494 1.00 0.00 C ATOM 433 NE ARG A 30 3.101 5.090 13.775 1.00 0.00 N ATOM 434 CZ ARG A 30 2.351 5.628 14.730 1.00 0.00 C ATOM 435 NH1 ARG A 30 1.046 5.772 14.550 1.00 0.00 N ATOM 436 NH2 ARG A 30 2.907 6.022 15.869 1.00 0.00 N ATOM 0 H ARG A 30 1.428 2.455 8.449 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.152 2.836 10.919 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.913 1.474 11.348 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.883 2.771 10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.012 3.247 13.013 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.632 2.622 13.253 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.360 4.662 11.743 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.787 5.310 12.161 1.00 0.00 H new ATOM 0 HE ARG A 30 4.102 4.993 13.945 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.615 5.469 13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.472 6.185 15.285 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.911 5.912 16.011 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.330 6.435 16.602 1.00 0.00 H new ATOM 450 N ASP A 31 2.066 4.911 9.610 1.00 0.00 N ATOM 451 CA ASP A 31 2.306 6.311 9.279 1.00 0.00 C ATOM 452 C ASP A 31 2.121 6.556 7.785 1.00 0.00 C ATOM 453 O ASP A 31 3.083 6.536 7.018 1.00 0.00 O ATOM 454 CB ASP A 31 3.716 6.723 9.705 1.00 0.00 C ATOM 455 CG ASP A 31 3.837 8.215 9.943 1.00 0.00 C ATOM 456 OD1 ASP A 31 2.796 8.864 10.179 1.00 0.00 O ATOM 457 OD2 ASP A 31 4.972 8.735 9.892 1.00 0.00 O ATOM 0 H ASP A 31 2.871 4.300 9.469 1.00 0.00 H new ATOM 0 HA ASP A 31 1.579 6.916 9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.987 6.190 10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.427 6.422 8.936 1.00 0.00 H new ATOM 462 N ASN A 32 0.877 6.787 7.378 1.00 0.00 N ATOM 463 CA ASN A 32 0.564 7.035 5.975 1.00 0.00 C ATOM 464 C ASN A 32 1.509 6.258 5.063 1.00 0.00 C ATOM 465 O ASN A 32 1.938 6.761 4.024 1.00 0.00 O ATOM 466 CB ASN A 32 0.655 8.531 5.667 1.00 0.00 C ATOM 467 CG ASN A 32 -0.428 9.331 6.366 1.00 0.00 C ATOM 468 OD1 ASN A 32 -0.147 10.123 7.265 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.673 9.127 5.953 1.00 0.00 N ATOM 0 H ASN A 32 0.069 6.808 8.000 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.455 6.695 5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.633 8.903 5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.578 8.683 4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.444 9.637 6.385 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.859 8.460 5.204 1.00 0.00 H new ATOM 476 N HIS A 33 1.828 5.030 5.458 1.00 0.00 N ATOM 477 CA HIS A 33 2.721 4.183 4.675 1.00 0.00 C ATOM 478 C HIS A 33 2.314 2.716 4.786 1.00 0.00 C ATOM 479 O HIS A 33 1.805 2.279 5.819 1.00 0.00 O ATOM 480 CB HIS A 33 4.166 4.360 5.142 1.00 0.00 C ATOM 481 CG HIS A 33 4.866 5.516 4.497 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.734 6.817 4.937 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.710 5.562 3.440 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.465 7.613 4.178 1.00 0.00 C ATOM 485 NE2 HIS A 33 6.068 6.876 3.262 1.00 0.00 N ATOM 0 H HIS A 33 1.482 4.599 6.315 1.00 0.00 H new ATOM 0 HA HIS A 33 2.645 4.485 3.630 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.176 4.497 6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.722 3.446 4.932 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.161 7.117 5.726 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.040 4.722 2.847 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.555 8.684 4.287 1.00 0.00 H new ATOM 494 N LEU A 34 2.541 1.962 3.716 1.00 0.00 N ATOM 495 CA LEU A 34 2.198 0.545 3.693 1.00 0.00 C ATOM 496 C LEU A 34 3.454 -0.320 3.685 1.00 0.00 C ATOM 497 O LEU A 34 4.137 -0.433 2.666 1.00 0.00 O ATOM 498 CB LEU A 34 1.339 0.228 2.467 1.00 0.00 C ATOM 499 CG LEU A 34 1.352 -1.227 1.997 1.00 0.00 C ATOM 500 CD1 LEU A 34 1.127 -2.169 3.169 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.297 -1.449 0.922 1.00 0.00 C ATOM 0 H LEU A 34 2.961 2.308 2.853 1.00 0.00 H new ATOM 0 HA LEU A 34 1.630 0.320 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.309 0.509 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.672 0.858 1.642 1.00 0.00 H new ATOM 0 HG LEU A 34 2.331 -1.442 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.140 -3.200 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.918 -2.029 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.162 -1.955 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.320 -2.490 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.688 -1.216 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.503 -0.800 0.071 1.00 0.00 H new ATOM 513 N HIS A 35 3.753 -0.931 4.827 1.00 0.00 N ATOM 514 CA HIS A 35 4.926 -1.788 4.951 1.00 0.00 C ATOM 515 C HIS A 35 4.600 -3.219 4.533 1.00 0.00 C ATOM 516 O HIS A 35 3.437 -3.623 4.520 1.00 0.00 O ATOM 517 CB HIS A 35 5.447 -1.771 6.389 1.00 0.00 C ATOM 518 CG HIS A 35 5.856 -0.409 6.861 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.169 0.009 6.908 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.115 0.632 7.307 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.218 1.247 7.365 1.00 0.00 C ATOM 522 NE2 HIS A 35 5.985 1.649 7.614 1.00 0.00 N ATOM 0 H HIS A 35 3.199 -0.848 5.679 1.00 0.00 H new ATOM 0 HA HIS A 35 5.699 -1.401 4.288 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.674 -2.159 7.052 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.300 -2.445 6.466 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.040 0.658 7.403 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.114 1.832 7.510 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.722 2.566 7.976 1.00 0.00 H new ATOM 531 N PHE A 36 5.634 -3.981 4.192 1.00 0.00 N ATOM 532 CA PHE A 36 5.458 -5.366 3.772 1.00 0.00 C ATOM 533 C PHE A 36 6.386 -6.293 4.550 1.00 0.00 C ATOM 534 O PHE A 36 7.606 -6.128 4.530 1.00 0.00 O ATOM 535 CB PHE A 36 5.722 -5.504 2.271 1.00 0.00 C ATOM 536 CG PHE A 36 4.786 -4.694 1.421 1.00 0.00 C ATOM 537 CD1 PHE A 36 3.567 -5.216 1.017 1.00 0.00 C ATOM 538 CD2 PHE A 36 5.123 -3.409 1.025 1.00 0.00 C ATOM 539 CE1 PHE A 36 2.704 -4.473 0.234 1.00 0.00 C ATOM 540 CE2 PHE A 36 4.264 -2.661 0.242 1.00 0.00 C ATOM 541 CZ PHE A 36 3.053 -3.194 -0.153 1.00 0.00 C ATOM 0 H PHE A 36 6.603 -3.662 4.198 1.00 0.00 H new ATOM 0 HA PHE A 36 4.428 -5.654 3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.747 -5.199 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.638 -6.554 1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.288 -6.215 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.069 -2.987 1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.758 -4.892 -0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.539 -1.661 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.379 -2.611 -0.764 1.00 0.00 H new ATOM 551 N TYR A 37 5.800 -7.268 5.236 1.00 0.00 N ATOM 552 CA TYR A 37 6.573 -8.220 6.024 1.00 0.00 C ATOM 553 C TYR A 37 6.339 -9.647 5.538 1.00 0.00 C ATOM 554 O TYR A 37 5.441 -9.901 4.736 1.00 0.00 O ATOM 555 CB TYR A 37 6.206 -8.107 7.505 1.00 0.00 C ATOM 556 CG TYR A 37 6.331 -6.704 8.054 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.323 -5.767 7.858 1.00 0.00 C ATOM 558 CD2 TYR A 37 7.456 -6.315 8.770 1.00 0.00 C ATOM 559 CE1 TYR A 37 5.434 -4.484 8.358 1.00 0.00 C ATOM 560 CE2 TYR A 37 7.575 -5.034 9.274 1.00 0.00 C ATOM 561 CZ TYR A 37 6.561 -4.122 9.065 1.00 0.00 C ATOM 562 OH TYR A 37 6.675 -2.846 9.565 1.00 0.00 O ATOM 0 H TYR A 37 4.792 -7.420 5.262 1.00 0.00 H new ATOM 0 HA TYR A 37 7.629 -7.982 5.900 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.182 -8.453 7.644 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.848 -8.772 8.082 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.438 -6.047 7.306 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.252 -7.026 8.936 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.642 -3.768 8.196 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.457 -4.748 9.828 1.00 0.00 H new ATOM 0 HH TYR A 37 7.528 -2.755 10.038 1.00 0.00 H new ATOM 572 N GLN A 38 7.153 -10.575 6.031 1.00 0.00 N ATOM 573 CA GLN A 38 7.035 -11.976 5.648 1.00 0.00 C ATOM 574 C GLN A 38 6.502 -12.814 6.805 1.00 0.00 C ATOM 575 O GLN A 38 5.628 -13.661 6.619 1.00 0.00 O ATOM 576 CB GLN A 38 8.391 -12.519 5.193 1.00 0.00 C ATOM 577 CG GLN A 38 8.902 -11.882 3.910 1.00 0.00 C ATOM 578 CD GLN A 38 9.873 -12.773 3.162 1.00 0.00 C ATOM 579 OE1 GLN A 38 9.705 -13.032 1.970 1.00 0.00 O ATOM 580 NE2 GLN A 38 10.898 -13.250 3.860 1.00 0.00 N ATOM 0 H GLN A 38 7.901 -10.381 6.697 1.00 0.00 H new ATOM 0 HA GLN A 38 6.329 -12.041 4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.122 -12.358 5.985 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.311 -13.596 5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.056 -11.649 3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.391 -10.937 4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.999 -13.010 4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.584 -13.856 3.410 1.00 0.00 H new ATOM 712 N ALA A 46 9.856 -7.774 4.056 1.00 0.00 N ATOM 713 CA ALA A 46 9.865 -8.346 2.715 1.00 0.00 C ATOM 714 C ALA A 46 10.493 -7.386 1.712 1.00 0.00 C ATOM 715 O ALA A 46 11.350 -7.775 0.919 1.00 0.00 O ATOM 716 CB ALA A 46 8.450 -8.709 2.288 1.00 0.00 C ATOM 0 HA ALA A 46 10.470 -9.252 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.471 -9.135 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.036 -9.439 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.829 -7.813 2.289 1.00 0.00 H new ATOM 722 N GLN A 47 10.060 -6.129 1.751 1.00 0.00 N ATOM 723 CA GLN A 47 10.581 -5.114 0.843 1.00 0.00 C ATOM 724 C GLN A 47 10.178 -3.716 1.302 1.00 0.00 C ATOM 725 O GLN A 47 9.187 -3.548 2.012 1.00 0.00 O ATOM 726 CB GLN A 47 10.074 -5.363 -0.578 1.00 0.00 C ATOM 727 CG GLN A 47 8.560 -5.459 -0.676 1.00 0.00 C ATOM 728 CD GLN A 47 8.079 -5.671 -2.098 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.830 -6.134 -2.957 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.821 -5.331 -2.355 1.00 0.00 N ATOM 0 H GLN A 47 9.351 -5.790 2.401 1.00 0.00 H new ATOM 0 HA GLN A 47 11.669 -5.180 0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.421 -4.557 -1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.513 -6.287 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.211 -6.282 -0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.115 -4.547 -0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.234 -4.951 -1.613 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.442 -5.450 -3.295 1.00 0.00 H new ATOM 739 N GLN A 48 10.954 -2.718 0.892 1.00 0.00 N ATOM 740 CA GLN A 48 10.678 -1.335 1.262 1.00 0.00 C ATOM 741 C GLN A 48 9.176 -1.075 1.315 1.00 0.00 C ATOM 742 O GLN A 48 8.405 -1.583 0.501 1.00 0.00 O ATOM 743 CB GLN A 48 11.339 -0.377 0.269 1.00 0.00 C ATOM 744 CG GLN A 48 10.960 1.079 0.484 1.00 0.00 C ATOM 745 CD GLN A 48 11.084 1.907 -0.780 1.00 0.00 C ATOM 746 OE1 GLN A 48 11.122 1.369 -1.887 1.00 0.00 O ATOM 747 NE2 GLN A 48 11.147 3.224 -0.621 1.00 0.00 N ATOM 0 H GLN A 48 11.778 -2.841 0.304 1.00 0.00 H new ATOM 0 HA GLN A 48 11.094 -1.161 2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.422 -0.477 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.063 -0.670 -0.744 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.935 1.133 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.598 1.506 1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.112 3.627 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.230 3.833 -1.435 1.00 0.00 H new ATOM 756 N PRO A 49 8.749 -0.265 2.295 1.00 0.00 N ATOM 757 CA PRO A 49 7.337 0.082 2.477 1.00 0.00 C ATOM 758 C PRO A 49 6.814 0.988 1.367 1.00 0.00 C ATOM 759 O PRO A 49 7.542 1.325 0.433 1.00 0.00 O ATOM 760 CB PRO A 49 7.322 0.817 3.819 1.00 0.00 C ATOM 761 CG PRO A 49 8.699 1.368 3.965 1.00 0.00 C ATOM 762 CD PRO A 49 9.613 0.376 3.301 1.00 0.00 C ATOM 0 HA PRO A 49 6.695 -0.798 2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.575 1.611 3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.077 0.141 4.638 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.779 2.348 3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.959 1.496 5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.471 0.866 2.840 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.005 -0.349 4.014 1.00 0.00 H new ATOM 770 N LEU A 50 5.550 1.379 1.476 1.00 0.00 N ATOM 771 CA LEU A 50 4.929 2.247 0.481 1.00 0.00 C ATOM 772 C LEU A 50 4.441 3.544 1.119 1.00 0.00 C ATOM 773 O LEU A 50 4.129 3.583 2.309 1.00 0.00 O ATOM 774 CB LEU A 50 3.762 1.527 -0.196 1.00 0.00 C ATOM 775 CG LEU A 50 4.104 0.732 -1.456 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.852 0.104 -2.048 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.791 1.624 -2.480 1.00 0.00 C ATOM 0 H LEU A 50 4.934 1.109 2.243 1.00 0.00 H new ATOM 0 HA LEU A 50 5.680 2.493 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.312 0.847 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.004 2.267 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 50 4.791 -0.068 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.116 -0.458 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.402 -0.568 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.140 0.887 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.027 1.041 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.128 2.446 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.711 2.025 -2.054 1.00 0.00 H new ATOM 789 N SER A 51 4.375 4.603 0.319 1.00 0.00 N ATOM 790 CA SER A 51 3.925 5.902 0.806 1.00 0.00 C ATOM 791 C SER A 51 2.559 6.256 0.227 1.00 0.00 C ATOM 792 O SER A 51 2.457 7.018 -0.735 1.00 0.00 O ATOM 793 CB SER A 51 4.942 6.986 0.442 1.00 0.00 C ATOM 794 OG SER A 51 4.571 8.238 0.994 1.00 0.00 O ATOM 0 H SER A 51 4.627 4.587 -0.669 1.00 0.00 H new ATOM 0 HA SER A 51 3.837 5.845 1.891 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.929 6.701 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.016 7.070 -0.642 1.00 0.00 H new ATOM 0 HG SER A 51 5.237 8.914 0.749 1.00 0.00 H new ATOM 800 N LEU A 52 1.509 5.697 0.820 1.00 0.00 N ATOM 801 CA LEU A 52 0.147 5.952 0.364 1.00 0.00 C ATOM 802 C LEU A 52 -0.069 7.439 0.100 1.00 0.00 C ATOM 803 O LEU A 52 -0.896 7.819 -0.728 1.00 0.00 O ATOM 804 CB LEU A 52 -0.860 5.456 1.403 1.00 0.00 C ATOM 805 CG LEU A 52 -0.699 4.003 1.853 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.501 3.745 3.119 1.00 0.00 C ATOM 807 CD2 LEU A 52 -1.126 3.051 0.745 1.00 0.00 C ATOM 0 H LEU A 52 1.575 5.064 1.617 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.005 5.410 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.791 6.097 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.863 5.580 0.996 1.00 0.00 H new ATOM 0 HG LEU A 52 0.354 3.825 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.375 2.706 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.148 4.402 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.556 3.941 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.005 2.022 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.172 3.230 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.508 3.219 -0.137 1.00 0.00 H new ATOM 819 N VAL A 53 0.683 8.276 0.808 1.00 0.00 N ATOM 820 CA VAL A 53 0.576 9.721 0.648 1.00 0.00 C ATOM 821 C VAL A 53 0.647 10.118 -0.822 1.00 0.00 C ATOM 822 O VAL A 53 1.723 10.140 -1.419 1.00 0.00 O ATOM 823 CB VAL A 53 1.688 10.455 1.421 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.518 11.962 1.300 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.694 10.027 2.881 1.00 0.00 C ATOM 0 H VAL A 53 1.373 7.978 1.498 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.392 10.014 1.054 1.00 0.00 H new ATOM 0 HB VAL A 53 2.649 10.185 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.313 12.463 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.568 12.251 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.551 12.253 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.486 10.555 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.732 10.265 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.869 8.953 2.945 1.00 0.00 H new ATOM 835 N GLY A 54 -0.508 10.432 -1.401 1.00 0.00 N ATOM 836 CA GLY A 54 -0.555 10.824 -2.798 1.00 0.00 C ATOM 837 C GLY A 54 -1.204 9.772 -3.674 1.00 0.00 C ATOM 838 O GLY A 54 -1.938 10.098 -4.608 1.00 0.00 O ATOM 0 H GLY A 54 -1.412 10.422 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.106 11.760 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.458 11.014 -3.153 1.00 0.00 H new ATOM 842 N CYS A 55 -0.932 8.506 -3.376 1.00 0.00 N ATOM 843 CA CYS A 55 -1.493 7.402 -4.145 1.00 0.00 C ATOM 844 C CYS A 55 -3.015 7.384 -4.042 1.00 0.00 C ATOM 845 O CYS A 55 -3.611 8.234 -3.381 1.00 0.00 O ATOM 846 CB CYS A 55 -0.921 6.070 -3.657 1.00 0.00 C ATOM 847 SG CYS A 55 0.863 6.095 -3.367 1.00 0.00 S ATOM 0 H CYS A 55 -0.326 8.219 -2.607 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.220 7.545 -5.190 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.425 5.787 -2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.148 5.298 -4.392 1.00 0.00 H new ATOM 0 HG CYS A 55 1.102 6.540 -2.169 1.00 0.00 H new ATOM 853 N GLU A 56 -3.637 6.412 -4.701 1.00 0.00 N ATOM 854 CA GLU A 56 -5.089 6.286 -4.685 1.00 0.00 C ATOM 855 C GLU A 56 -5.510 4.823 -4.782 1.00 0.00 C ATOM 856 O GLU A 56 -5.130 4.117 -5.717 1.00 0.00 O ATOM 857 CB GLU A 56 -5.705 7.083 -5.837 1.00 0.00 C ATOM 858 CG GLU A 56 -7.213 6.931 -5.944 1.00 0.00 C ATOM 859 CD GLU A 56 -7.785 7.628 -7.164 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.393 7.264 -8.292 1.00 0.00 O ATOM 861 OE2 GLU A 56 -8.624 8.536 -6.989 1.00 0.00 O ATOM 0 H GLU A 56 -3.158 5.700 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.452 6.688 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.463 8.138 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.249 6.763 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.466 5.871 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.680 7.336 -5.046 1.00 0.00 H new ATOM 868 N VAL A 57 -6.297 4.373 -3.810 1.00 0.00 N ATOM 869 CA VAL A 57 -6.771 2.995 -3.786 1.00 0.00 C ATOM 870 C VAL A 57 -8.109 2.860 -4.503 1.00 0.00 C ATOM 871 O VAL A 57 -9.096 3.491 -4.123 1.00 0.00 O ATOM 872 CB VAL A 57 -6.920 2.478 -2.342 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.353 1.020 -2.339 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.619 2.659 -1.575 1.00 0.00 C ATOM 0 H VAL A 57 -6.620 4.943 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.023 2.395 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.693 3.062 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.453 0.672 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.311 0.924 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.605 0.417 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.742 2.289 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.824 2.102 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.357 3.717 -1.547 1.00 0.00 H new ATOM 884 N VAL A 58 -8.136 2.034 -5.544 1.00 0.00 N ATOM 885 CA VAL A 58 -9.354 1.815 -6.314 1.00 0.00 C ATOM 886 C VAL A 58 -9.719 0.335 -6.357 1.00 0.00 C ATOM 887 O VAL A 58 -8.866 -0.536 -6.528 1.00 0.00 O ATOM 888 CB VAL A 58 -9.208 2.337 -7.756 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.455 3.837 -7.808 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.833 1.995 -8.309 1.00 0.00 C ATOM 0 H VAL A 58 -7.328 1.506 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.148 2.368 -5.813 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.957 1.848 -8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.348 4.188 -8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.463 4.052 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.731 4.347 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.747 2.371 -9.328 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.066 2.455 -7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.700 0.913 -8.309 1.00 0.00 H new ATOM 900 N PRO A 59 -11.018 0.041 -6.197 1.00 0.00 N ATOM 901 CA PRO A 59 -11.527 -1.333 -6.214 1.00 0.00 C ATOM 902 C PRO A 59 -11.455 -1.961 -7.602 1.00 0.00 C ATOM 903 O PRO A 59 -12.385 -1.837 -8.399 1.00 0.00 O ATOM 904 CB PRO A 59 -12.985 -1.178 -5.773 1.00 0.00 C ATOM 905 CG PRO A 59 -13.347 0.218 -6.148 1.00 0.00 C ATOM 906 CD PRO A 59 -12.091 1.029 -5.989 1.00 0.00 C ATOM 0 HA PRO A 59 -10.941 -1.992 -5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.629 -1.902 -6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.094 -1.341 -4.701 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.714 0.264 -7.173 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.142 0.600 -5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.040 1.837 -6.718 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.030 1.486 -5.001 1.00 0.00 H new ATOM 914 N ASP A 60 -10.345 -2.635 -7.884 1.00 0.00 N ATOM 915 CA ASP A 60 -10.152 -3.283 -9.176 1.00 0.00 C ATOM 916 C ASP A 60 -10.282 -4.798 -9.048 1.00 0.00 C ATOM 917 O ASP A 60 -9.293 -5.532 -9.047 1.00 0.00 O ATOM 918 CB ASP A 60 -8.782 -2.923 -9.752 1.00 0.00 C ATOM 919 CG ASP A 60 -8.671 -3.248 -11.229 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.459 -2.689 -12.021 1.00 0.00 O ATOM 921 OD2 ASP A 60 -7.796 -4.061 -11.593 1.00 0.00 O ATOM 0 H ASP A 60 -9.566 -2.747 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.927 -2.925 -9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.596 -1.859 -9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.008 -3.462 -9.205 1.00 0.00 H new ATOM 926 N PRO A 61 -11.529 -5.278 -8.937 1.00 0.00 N ATOM 927 CA PRO A 61 -11.817 -6.710 -8.805 1.00 0.00 C ATOM 928 C PRO A 61 -11.531 -7.479 -10.091 1.00 0.00 C ATOM 929 O PRO A 61 -11.320 -6.884 -11.147 1.00 0.00 O ATOM 930 CB PRO A 61 -13.314 -6.742 -8.485 1.00 0.00 C ATOM 931 CG PRO A 61 -13.852 -5.479 -9.063 1.00 0.00 C ATOM 932 CD PRO A 61 -12.754 -4.461 -8.930 1.00 0.00 C ATOM 0 HA PRO A 61 -11.194 -7.183 -8.046 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.794 -7.615 -8.926 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.488 -6.791 -7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.132 -5.616 -10.107 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.748 -5.158 -8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.766 -3.747 -9.754 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.848 -3.886 -8.009 1.00 0.00 H new ATOM 940 N SER A 62 -11.526 -8.804 -9.993 1.00 0.00 N ATOM 941 CA SER A 62 -11.263 -9.655 -11.147 1.00 0.00 C ATOM 942 C SER A 62 -12.349 -10.715 -11.300 1.00 0.00 C ATOM 943 O SER A 62 -13.161 -10.942 -10.403 1.00 0.00 O ATOM 944 CB SER A 62 -9.895 -10.326 -11.012 1.00 0.00 C ATOM 945 OG SER A 62 -8.911 -9.637 -11.764 1.00 0.00 O ATOM 0 H SER A 62 -11.701 -9.312 -9.126 1.00 0.00 H new ATOM 0 HA SER A 62 -11.265 -9.027 -12.038 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.602 -10.353 -9.962 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.959 -11.360 -11.352 1.00 0.00 H new ATOM 0 HG SER A 62 -8.046 -10.085 -11.659 1.00 0.00 H new ATOM 951 N PRO A 63 -12.365 -11.382 -12.464 1.00 0.00 N ATOM 952 CA PRO A 63 -13.345 -12.430 -12.763 1.00 0.00 C ATOM 953 C PRO A 63 -13.119 -13.689 -11.933 1.00 0.00 C ATOM 954 O PRO A 63 -13.803 -14.696 -12.117 1.00 0.00 O ATOM 955 CB PRO A 63 -13.113 -12.719 -14.248 1.00 0.00 C ATOM 956 CG PRO A 63 -11.698 -12.324 -14.495 1.00 0.00 C ATOM 957 CD PRO A 63 -11.426 -11.163 -13.578 1.00 0.00 C ATOM 0 HA PRO A 63 -14.362 -12.115 -12.530 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.275 -13.772 -14.476 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.798 -12.148 -14.874 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.020 -13.152 -14.288 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.548 -12.042 -15.537 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.391 -11.155 -13.236 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.605 -10.209 -14.073 1.00 0.00 H new ATOM 965 N ASP A 64 -12.156 -13.625 -11.020 1.00 0.00 N ATOM 966 CA ASP A 64 -11.841 -14.760 -10.161 1.00 0.00 C ATOM 967 C ASP A 64 -11.894 -14.359 -8.690 1.00 0.00 C ATOM 968 O ASP A 64 -11.836 -15.209 -7.801 1.00 0.00 O ATOM 969 CB ASP A 64 -10.458 -15.316 -10.501 1.00 0.00 C ATOM 970 CG ASP A 64 -10.388 -15.874 -11.909 1.00 0.00 C ATOM 971 OD1 ASP A 64 -11.198 -15.445 -12.758 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.524 -16.738 -12.163 1.00 0.00 O ATOM 0 H ASP A 64 -11.580 -12.799 -10.856 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.588 -15.534 -10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.715 -14.527 -10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.200 -16.100 -9.789 1.00 0.00 H new ATOM 977 N HIS A 65 -12.003 -13.058 -8.440 1.00 0.00 N ATOM 978 CA HIS A 65 -12.063 -12.543 -7.076 1.00 0.00 C ATOM 979 C HIS A 65 -12.466 -11.072 -7.068 1.00 0.00 C ATOM 980 O HIS A 65 -11.681 -10.200 -7.444 1.00 0.00 O ATOM 981 CB HIS A 65 -10.712 -12.718 -6.383 1.00 0.00 C ATOM 982 CG HIS A 65 -10.569 -14.028 -5.670 1.00 0.00 C ATOM 983 ND1 HIS A 65 -11.210 -14.312 -4.483 1.00 0.00 N ATOM 984 CD2 HIS A 65 -9.855 -15.134 -5.984 1.00 0.00 C ATOM 985 CE1 HIS A 65 -10.895 -15.535 -4.097 1.00 0.00 C ATOM 986 NE2 HIS A 65 -10.074 -16.056 -4.991 1.00 0.00 N ATOM 0 H HIS A 65 -12.052 -12.341 -9.164 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.818 -13.111 -6.532 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.918 -12.629 -7.125 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.572 -11.907 -5.668 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.229 -15.267 -6.854 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.249 -16.026 -3.202 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.669 -16.991 -4.950 1.00 0.00 H new ATOM 995 N LEU A 66 -13.694 -10.802 -6.638 1.00 0.00 N ATOM 996 CA LEU A 66 -14.202 -9.436 -6.581 1.00 0.00 C ATOM 997 C LEU A 66 -13.752 -8.741 -5.300 1.00 0.00 C ATOM 998 O LEU A 66 -14.371 -7.773 -4.857 1.00 0.00 O ATOM 999 CB LEU A 66 -15.729 -9.434 -6.667 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.345 -10.394 -7.686 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.765 -10.759 -7.285 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.322 -9.780 -9.078 1.00 0.00 C ATOM 0 H LEU A 66 -14.356 -11.511 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.796 -8.888 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.129 -9.676 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.058 -8.423 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.749 -11.307 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.187 -11.443 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.755 -11.241 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.373 -9.856 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.764 -10.477 -9.790 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.894 -8.852 -9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.292 -9.571 -9.367 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.672 -9.239 -4.710 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.139 -8.666 -3.480 1.00 0.00 C ATOM 1016 C TYR A 67 -10.671 -8.286 -3.646 1.00 0.00 C ATOM 1017 O TYR A 67 -9.837 -8.598 -2.796 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.293 -9.656 -2.323 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.583 -10.445 -2.369 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.785 -9.831 -2.697 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.598 -11.805 -2.085 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.965 -10.547 -2.739 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.773 -12.530 -2.127 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.954 -11.897 -2.453 1.00 0.00 C ATOM 1025 OH TYR A 67 -17.127 -12.614 -2.496 1.00 0.00 O ATOM 0 H TYR A 67 -12.148 -10.039 -5.064 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.706 -7.762 -3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.452 -10.349 -2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.244 -9.111 -1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.797 -8.775 -2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.675 -12.304 -1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.891 -10.053 -2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.767 -13.587 -1.906 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.946 -13.550 -2.270 1.00 0.00 H new ATOM 1035 N SER A 68 -10.363 -7.609 -4.748 1.00 0.00 N ATOM 1036 CA SER A 68 -8.996 -7.188 -5.029 1.00 0.00 C ATOM 1037 C SER A 68 -8.947 -5.706 -5.386 1.00 0.00 C ATOM 1038 O SER A 68 -9.711 -5.231 -6.226 1.00 0.00 O ATOM 1039 CB SER A 68 -8.409 -8.019 -6.172 1.00 0.00 C ATOM 1040 OG SER A 68 -9.379 -8.264 -7.175 1.00 0.00 O ATOM 0 H SER A 68 -11.042 -7.341 -5.460 1.00 0.00 H new ATOM 0 HA SER A 68 -8.401 -7.347 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.557 -7.496 -6.606 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.037 -8.967 -5.783 1.00 0.00 H new ATOM 0 HG SER A 68 -9.970 -8.991 -6.888 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.041 -4.978 -4.740 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.891 -3.549 -4.987 1.00 0.00 C ATOM 1048 C PHE A 69 -6.462 -3.216 -5.407 1.00 0.00 C ATOM 1049 O PHE A 69 -5.546 -4.015 -5.214 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.266 -2.751 -3.736 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.763 -3.366 -2.461 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.431 -4.431 -1.879 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.623 -2.878 -1.844 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.971 -4.998 -0.706 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.158 -3.441 -0.670 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.833 -4.503 -0.101 1.00 0.00 C ATOM 0 H PHE A 69 -7.400 -5.355 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.563 -3.274 -5.800 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.866 -1.741 -3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.351 -2.661 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.322 -4.823 -2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.091 -2.048 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.501 -5.828 -0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.268 -3.051 -0.199 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.471 -4.945 0.815 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.282 -2.032 -5.982 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.966 -1.594 -6.431 1.00 0.00 C ATOM 1068 C ARG A 70 -4.743 -0.119 -6.106 1.00 0.00 C ATOM 1069 O ARG A 70 -5.698 0.644 -5.956 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.814 -1.824 -7.936 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.831 -1.066 -8.773 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.258 -0.675 -10.127 1.00 0.00 C ATOM 1073 NE ARG A 70 -4.669 -1.817 -10.822 1.00 0.00 N ATOM 1074 CZ ARG A 70 -4.534 -1.883 -12.142 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -4.942 -0.879 -12.905 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -3.988 -2.956 -12.701 1.00 0.00 N ATOM 0 H ARG A 70 -7.030 -1.359 -6.148 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.216 -2.182 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.811 -1.526 -8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.907 -2.890 -8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.718 -1.683 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.149 -0.171 -8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.046 -0.243 -10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.500 0.097 -9.991 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.344 -2.606 -10.264 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.361 -0.052 -12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.837 -0.933 -13.918 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.672 -3.730 -12.117 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.885 -3.006 -13.714 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.479 0.273 -5.999 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.132 1.656 -5.693 1.00 0.00 C ATOM 1092 C ILE A 71 -2.556 2.362 -6.915 1.00 0.00 C ATOM 1093 O ILE A 71 -1.819 1.765 -7.701 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.115 1.739 -4.539 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.408 0.661 -3.493 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.144 3.121 -3.906 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.382 0.601 -2.383 1.00 0.00 C ATOM 0 H ILE A 71 -2.678 -0.347 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.054 2.153 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.117 1.566 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.391 0.845 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.454 -0.310 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.420 3.164 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.891 3.870 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.142 3.321 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.654 -0.185 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.401 0.386 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.351 1.559 -1.864 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.895 3.637 -7.069 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.410 4.427 -8.196 1.00 0.00 C ATOM 1111 C LEU A 72 -2.078 5.851 -7.760 1.00 0.00 C ATOM 1112 O LEU A 72 -2.836 6.477 -7.019 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.454 4.454 -9.312 1.00 0.00 C ATOM 1114 CG LEU A 72 -3.975 3.093 -9.777 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.431 3.197 -10.204 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.121 2.555 -10.915 1.00 0.00 C ATOM 0 H LEU A 72 -3.504 4.146 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.499 3.959 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.302 5.049 -8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.025 4.969 -10.171 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.911 2.396 -8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.785 2.219 -10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.034 3.537 -9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.520 3.909 -11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.507 1.586 -11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.152 3.251 -11.754 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.091 2.442 -10.575 1.00 0.00 H new ATOM 1128 N HIS A 73 -0.941 6.357 -8.226 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.510 7.709 -7.887 1.00 0.00 C ATOM 1130 C HIS A 73 -0.520 8.608 -9.119 1.00 0.00 C ATOM 1131 O HIS A 73 0.483 8.726 -9.823 1.00 0.00 O ATOM 1132 CB HIS A 73 0.890 7.681 -7.273 1.00 0.00 C ATOM 1133 CG HIS A 73 1.286 8.973 -6.626 1.00 0.00 C ATOM 1134 ND1 HIS A 73 1.463 10.144 -7.331 1.00 0.00 N ATOM 1135 CD2 HIS A 73 1.536 9.273 -5.330 1.00 0.00 C ATOM 1136 CE1 HIS A 73 1.808 11.109 -6.497 1.00 0.00 C ATOM 1137 NE2 HIS A 73 1.859 10.607 -5.276 1.00 0.00 N ATOM 0 H HIS A 73 -0.301 5.852 -8.839 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.211 8.115 -7.158 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.937 6.883 -6.531 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.614 7.436 -8.050 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.490 8.591 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.013 12.134 -6.768 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.099 11.125 -4.431 1.00 0.00 H new ATOM 1146 N LYS A 74 -1.661 9.240 -9.376 1.00 0.00 N ATOM 1147 CA LYS A 74 -1.803 10.129 -10.522 1.00 0.00 C ATOM 1148 C LYS A 74 -1.920 9.331 -11.818 1.00 0.00 C ATOM 1149 O LYS A 74 -1.439 9.758 -12.866 1.00 0.00 O ATOM 1150 CB LYS A 74 -0.609 11.083 -10.605 1.00 0.00 C ATOM 1151 CG LYS A 74 -0.194 11.655 -9.260 1.00 0.00 C ATOM 1152 CD LYS A 74 -0.924 12.954 -8.958 1.00 0.00 C ATOM 1153 CE LYS A 74 -0.155 14.159 -9.476 1.00 0.00 C ATOM 1154 NZ LYS A 74 1.133 14.349 -8.753 1.00 0.00 N ATOM 0 H LYS A 74 -2.501 9.152 -8.805 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.716 10.710 -10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.238 10.555 -11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.856 11.903 -11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.402 10.928 -8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.882 11.831 -9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.914 12.930 -9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.070 13.049 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.042 14.034 -10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.767 15.054 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.409 15.351 -8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.020 14.060 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.871 13.769 -9.201 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.564 8.171 -11.737 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.733 7.334 -12.910 1.00 0.00 C ATOM 1170 C GLY A 75 -1.662 6.267 -13.021 1.00 0.00 C ATOM 1171 O GLY A 75 -1.762 5.362 -13.849 1.00 0.00 O ATOM 0 H GLY A 75 -2.972 7.796 -10.880 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.713 6.858 -12.875 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.714 7.958 -13.803 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.633 6.375 -12.186 1.00 0.00 N ATOM 1176 CA GLU A 76 0.463 5.412 -12.197 1.00 0.00 C ATOM 1177 C GLU A 76 0.128 4.198 -11.335 1.00 0.00 C ATOM 1178 O GLU A 76 -0.890 4.176 -10.645 1.00 0.00 O ATOM 1179 CB GLU A 76 1.751 6.068 -11.696 1.00 0.00 C ATOM 1180 CG GLU A 76 2.996 5.607 -12.436 1.00 0.00 C ATOM 1181 CD GLU A 76 3.273 6.430 -13.679 1.00 0.00 C ATOM 1182 OE1 GLU A 76 3.181 7.673 -13.600 1.00 0.00 O ATOM 1183 OE2 GLU A 76 3.581 5.832 -14.731 1.00 0.00 O ATOM 0 H GLU A 76 -0.535 7.118 -11.494 1.00 0.00 H new ATOM 0 HA GLU A 76 0.610 5.077 -13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.660 7.150 -11.794 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.869 5.853 -10.634 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.855 5.666 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.881 4.560 -12.716 1.00 0.00 H new ATOM 1190 N GLU A 77 0.994 3.190 -11.383 1.00 0.00 N ATOM 1191 CA GLU A 77 0.789 1.971 -10.608 1.00 0.00 C ATOM 1192 C GLU A 77 1.772 1.896 -9.443 1.00 0.00 C ATOM 1193 O GLU A 77 2.988 1.929 -9.639 1.00 0.00 O ATOM 1194 CB GLU A 77 0.946 0.740 -11.503 1.00 0.00 C ATOM 1195 CG GLU A 77 0.619 -0.568 -10.801 1.00 0.00 C ATOM 1196 CD GLU A 77 0.945 -1.782 -11.647 1.00 0.00 C ATOM 1197 OE1 GLU A 77 0.859 -1.679 -12.889 1.00 0.00 O ATOM 1198 OE2 GLU A 77 1.287 -2.835 -11.069 1.00 0.00 O ATOM 0 H GLU A 77 1.842 3.193 -11.949 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.224 1.992 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.298 0.848 -12.372 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.971 0.698 -11.873 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.175 -0.622 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.440 -0.583 -10.544 1.00 0.00 H new ATOM 1205 N LEU A 78 1.237 1.796 -8.232 1.00 0.00 N ATOM 1206 CA LEU A 78 2.066 1.716 -7.034 1.00 0.00 C ATOM 1207 C LEU A 78 2.128 0.286 -6.508 1.00 0.00 C ATOM 1208 O LEU A 78 3.207 -0.241 -6.238 1.00 0.00 O ATOM 1209 CB LEU A 78 1.520 2.647 -5.949 1.00 0.00 C ATOM 1210 CG LEU A 78 1.612 4.145 -6.242 1.00 0.00 C ATOM 1211 CD1 LEU A 78 2.930 4.708 -5.734 1.00 0.00 C ATOM 1212 CD2 LEU A 78 1.456 4.408 -7.733 1.00 0.00 C ATOM 0 H LEU A 78 0.233 1.768 -8.053 1.00 0.00 H new ATOM 0 HA LEU A 78 3.076 2.029 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.474 2.395 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.056 2.445 -5.021 1.00 0.00 H new ATOM 0 HG LEU A 78 0.800 4.649 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.978 5.775 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.001 4.553 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.758 4.200 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.524 5.479 -7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.246 3.892 -8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.486 4.041 -8.068 1.00 0.00 H new ATOM 1224 N ALA A 79 0.963 -0.338 -6.368 1.00 0.00 N ATOM 1225 CA ALA A 79 0.885 -1.709 -5.879 1.00 0.00 C ATOM 1226 C ALA A 79 -0.511 -2.287 -6.085 1.00 0.00 C ATOM 1227 O ALA A 79 -1.421 -1.593 -6.539 1.00 0.00 O ATOM 1228 CB ALA A 79 1.271 -1.768 -4.408 1.00 0.00 C ATOM 0 H ALA A 79 0.060 0.084 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 79 1.588 -2.313 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.208 -2.798 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.291 -1.404 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.591 -1.144 -3.828 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.675 -3.562 -5.748 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.960 -4.234 -5.895 1.00 0.00 C ATOM 1236 C LYS A 80 -2.136 -5.311 -4.829 1.00 0.00 C ATOM 1237 O LYS A 80 -1.358 -6.262 -4.759 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.077 -4.857 -7.288 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.442 -5.460 -7.572 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.793 -5.374 -9.048 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.032 -6.193 -9.375 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.482 -5.984 -10.779 1.00 0.00 N ATOM 0 H LYS A 80 0.067 -4.151 -5.371 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.747 -3.490 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.863 -4.095 -8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.318 -5.631 -7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.453 -6.503 -7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.200 -4.940 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.961 -4.333 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.953 -5.730 -9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.821 -7.250 -9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.837 -5.922 -8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.821 -6.885 -11.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.253 -5.286 -10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.686 -5.635 -11.350 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.164 -5.155 -4.002 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.444 -6.115 -2.940 1.00 0.00 C ATOM 1258 C LEU A 81 -4.776 -6.818 -3.178 1.00 0.00 C ATOM 1259 O LEU A 81 -5.600 -6.356 -3.967 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.461 -5.412 -1.581 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.165 -4.710 -1.173 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -0.957 -5.543 -1.572 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.090 -3.324 -1.798 1.00 0.00 C ATOM 0 H LEU A 81 -3.817 -4.373 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.653 -6.865 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.264 -4.675 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.708 -6.148 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.161 -4.599 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.045 -5.027 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.004 -6.513 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.955 -5.687 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.161 -2.839 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.118 -3.413 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.937 -2.727 -1.461 1.00 0.00 H new ATOM 1275 N GLU A 82 -4.981 -7.936 -2.489 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.215 -8.702 -2.626 1.00 0.00 C ATOM 1277 C GLU A 82 -6.644 -9.286 -1.283 1.00 0.00 C ATOM 1278 O GLU A 82 -5.835 -9.866 -0.559 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.034 -9.825 -3.648 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.932 -11.025 -3.400 1.00 0.00 C ATOM 1281 CD GLU A 82 -7.070 -11.914 -4.621 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -7.226 -11.371 -5.735 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -7.021 -13.151 -4.463 1.00 0.00 O ATOM 0 H GLU A 82 -4.310 -8.331 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.995 -8.026 -2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.233 -9.433 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.994 -10.152 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.530 -11.610 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.919 -10.678 -3.095 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.923 -9.127 -0.957 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.460 -9.639 0.298 1.00 0.00 C ATOM 1292 C ALA A 83 -9.042 -11.037 0.115 1.00 0.00 C ATOM 1293 O ALA A 83 -8.934 -11.631 -0.958 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.519 -8.692 0.844 1.00 0.00 C ATOM 0 H ALA A 83 -8.606 -8.648 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.642 -9.705 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.911 -9.087 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.075 -7.712 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.330 -8.598 0.122 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.658 -11.558 1.171 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.258 -12.887 1.128 1.00 0.00 C ATOM 1302 C LYS A 84 -11.762 -12.797 0.893 1.00 0.00 C ATOM 1303 O LYS A 84 -12.336 -13.609 0.167 1.00 0.00 O ATOM 1304 CB LYS A 84 -9.978 -13.637 2.432 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.649 -13.018 3.646 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.411 -13.846 4.898 1.00 0.00 C ATOM 1307 CE LYS A 84 -11.419 -14.979 5.017 1.00 0.00 C ATOM 1308 NZ LYS A 84 -12.735 -14.499 5.521 1.00 0.00 N ATOM 0 H LYS A 84 -9.755 -11.080 2.067 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.811 -13.434 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.315 -14.668 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.901 -13.669 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.267 -12.008 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.720 -12.930 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.401 -14.256 4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.477 -13.205 5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.553 -15.450 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.029 -15.743 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.394 -15.300 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.612 -14.072 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.119 -13.788 4.866 1.00 0.00 H new ATOM 1322 N SER A 85 -12.395 -11.805 1.512 1.00 0.00 N ATOM 1323 CA SER A 85 -13.834 -11.612 1.371 1.00 0.00 C ATOM 1324 C SER A 85 -14.156 -10.159 1.034 1.00 0.00 C ATOM 1325 O SER A 85 -13.326 -9.269 1.218 1.00 0.00 O ATOM 1326 CB SER A 85 -14.553 -12.020 2.659 1.00 0.00 C ATOM 1327 OG SER A 85 -15.938 -11.730 2.583 1.00 0.00 O ATOM 0 H SER A 85 -11.935 -11.123 2.115 1.00 0.00 H new ATOM 0 HA SER A 85 -14.182 -12.243 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.411 -13.086 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.114 -11.494 3.507 1.00 0.00 H new ATOM 0 HG SER A 85 -16.383 -12.045 3.397 1.00 0.00 H new ATOM 1333 N SER A 86 -15.368 -9.928 0.540 1.00 0.00 N ATOM 1334 CA SER A 86 -15.800 -8.584 0.173 1.00 0.00 C ATOM 1335 C SER A 86 -15.693 -7.635 1.363 1.00 0.00 C ATOM 1336 O SER A 86 -15.229 -6.504 1.228 1.00 0.00 O ATOM 1337 CB SER A 86 -17.240 -8.612 -0.343 1.00 0.00 C ATOM 1338 OG SER A 86 -17.674 -7.315 -0.714 1.00 0.00 O ATOM 0 H SER A 86 -16.068 -10.653 0.385 1.00 0.00 H new ATOM 0 HA SER A 86 -15.144 -8.222 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.309 -9.281 -1.201 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.898 -9.012 0.428 1.00 0.00 H new ATOM 0 HG SER A 86 -18.596 -7.360 -1.042 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.126 -8.106 2.528 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.080 -7.299 3.742 1.00 0.00 C ATOM 1346 C GLU A 87 -14.650 -6.871 4.057 1.00 0.00 C ATOM 1347 O GLU A 87 -14.406 -5.735 4.463 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.662 -8.080 4.923 1.00 0.00 C ATOM 1349 CG GLU A 87 -16.114 -9.492 5.047 1.00 0.00 C ATOM 1350 CD GLU A 87 -16.554 -10.177 6.327 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -16.613 -9.499 7.374 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -16.840 -11.392 6.280 1.00 0.00 O ATOM 0 H GLU A 87 -16.512 -9.041 2.657 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.680 -6.405 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.455 -7.536 5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -17.746 -8.128 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -16.443 -10.082 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.025 -9.460 5.012 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.708 -7.790 3.866 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.302 -7.507 4.131 1.00 0.00 C ATOM 1361 C GLU A 88 -11.803 -6.359 3.258 1.00 0.00 C ATOM 1362 O GLU A 88 -11.251 -5.380 3.758 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.453 -8.756 3.884 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.041 -8.651 4.436 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.383 -10.006 4.617 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -9.727 -10.707 5.591 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.525 -10.363 3.783 1.00 0.00 O ATOM 0 H GLU A 88 -13.893 -8.735 3.529 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.208 -7.212 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.947 -9.616 4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.402 -8.944 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.436 -8.044 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.067 -8.133 5.395 1.00 0.00 H new ATOM 1374 N MET A 89 -12.003 -6.489 1.950 1.00 0.00 N ATOM 1375 CA MET A 89 -11.574 -5.462 1.007 1.00 0.00 C ATOM 1376 C MET A 89 -12.237 -4.125 1.321 1.00 0.00 C ATOM 1377 O MET A 89 -11.660 -3.064 1.082 1.00 0.00 O ATOM 1378 CB MET A 89 -11.907 -5.885 -0.426 1.00 0.00 C ATOM 1379 CG MET A 89 -13.387 -5.791 -0.759 1.00 0.00 C ATOM 1380 SD MET A 89 -13.687 -5.504 -2.514 1.00 0.00 S ATOM 1381 CE MET A 89 -12.605 -4.109 -2.818 1.00 0.00 C ATOM 0 H MET A 89 -12.459 -7.294 1.520 1.00 0.00 H new ATOM 0 HA MET A 89 -10.495 -5.344 1.103 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.346 -5.259 -1.120 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.573 -6.911 -0.580 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.883 -6.713 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.835 -4.983 -0.181 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.080 -3.427 -3.524 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.414 -3.586 -1.881 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.662 -4.464 -3.234 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.452 -4.182 1.859 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.172 -2.969 2.196 1.00 0.00 C ATOM 1393 C GLY A 90 -13.555 -2.236 3.371 1.00 0.00 C ATOM 1394 O GLY A 90 -13.712 -1.022 3.507 1.00 0.00 O ATOM 0 H GLY A 90 -13.950 -5.047 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.191 -2.309 1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.207 -3.218 2.430 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.851 -2.974 4.223 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.209 -2.387 5.394 1.00 0.00 C ATOM 1400 C HIS A 91 -10.848 -1.800 5.030 1.00 0.00 C ATOM 1401 O HIS A 91 -10.383 -0.850 5.659 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.047 -3.436 6.494 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.001 -3.086 7.507 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.213 -2.182 8.526 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.729 -3.526 7.655 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.117 -2.079 9.256 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.202 -2.885 8.749 1.00 0.00 N ATOM 0 H HIS A 91 -12.710 -3.979 4.125 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.846 -1.583 5.761 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.002 -3.569 7.002 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.793 -4.393 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.223 -4.247 7.029 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.991 -1.444 10.120 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.257 -3.011 9.111 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.216 -2.373 4.012 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.908 -1.907 3.565 1.00 0.00 C ATOM 1418 C TRP A 92 -9.046 -0.703 2.641 1.00 0.00 C ATOM 1419 O TRP A 92 -8.285 0.261 2.743 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.160 -3.033 2.848 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.462 -3.972 3.785 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.976 -5.111 4.336 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.124 -3.852 4.279 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.037 -5.706 5.145 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.893 -4.954 5.126 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.098 -2.923 4.088 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.679 -5.148 5.779 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -3.894 -3.117 4.738 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.692 -4.223 5.574 1.00 0.00 C ATOM 0 H TRP A 92 -10.588 -3.160 3.481 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.338 -1.604 4.443 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.865 -3.597 2.238 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.427 -2.598 2.168 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.973 -5.489 4.162 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.171 -6.568 5.674 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.243 -2.068 3.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.522 -5.999 6.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.095 -2.404 4.599 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.739 -4.348 6.066 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.019 -0.763 1.739 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.257 0.325 0.796 1.00 0.00 C ATOM 1442 C LEU A 93 -10.263 1.673 1.509 1.00 0.00 C ATOM 1443 O LEU A 93 -9.473 2.560 1.189 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.586 0.114 0.068 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.546 -0.814 -1.147 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.923 -0.920 -1.783 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.524 -0.321 -2.161 1.00 0.00 C ATOM 0 H LEU A 93 -10.656 -1.553 1.640 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.446 0.324 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.308 -0.284 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -11.959 1.086 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.246 -1.807 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.875 -1.584 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.630 -1.320 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.253 0.068 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.509 -0.993 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.794 0.682 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.536 -0.298 -1.701 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.160 1.819 2.480 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.251 3.061 3.225 1.00 0.00 C ATOM 1461 C GLY A 94 -10.024 3.316 4.079 1.00 0.00 C ATOM 1462 O GLY A 94 -9.609 4.462 4.256 1.00 0.00 O ATOM 0 H GLY A 94 -11.825 1.099 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.384 3.889 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.135 3.035 3.863 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.443 2.247 4.610 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.256 2.360 5.452 1.00 0.00 C ATOM 1468 C LEU A 95 -7.105 3.005 4.686 1.00 0.00 C ATOM 1469 O LEU A 95 -6.531 4.000 5.130 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.835 0.980 5.962 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.417 0.877 6.523 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.413 1.158 8.018 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.829 -0.497 6.236 1.00 0.00 C ATOM 0 H LEU A 95 -9.774 1.292 4.473 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.503 2.995 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.535 0.673 6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.933 0.267 5.144 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.797 1.626 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.395 1.080 8.400 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.793 2.163 8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.048 0.432 8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.819 -0.553 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.450 -1.263 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.796 -0.661 5.159 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.775 2.433 3.534 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.693 2.954 2.704 1.00 0.00 C ATOM 1487 C LEU A 96 -6.037 4.340 2.169 1.00 0.00 C ATOM 1488 O LEU A 96 -5.235 5.270 2.264 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.412 2.000 1.541 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.872 0.621 1.920 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.088 -0.367 0.784 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.397 0.706 2.281 1.00 0.00 C ATOM 0 H LEU A 96 -7.240 1.609 3.153 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.799 3.036 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.335 1.864 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.697 2.477 0.871 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.419 0.266 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.697 -1.343 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.154 -0.451 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.568 -0.016 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.030 -0.285 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.835 1.083 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.268 1.381 3.127 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.233 4.472 1.607 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.684 5.746 1.058 1.00 0.00 C ATOM 1506 C LEU A 97 -7.404 6.887 2.030 1.00 0.00 C ATOM 1507 O LEU A 97 -6.758 7.873 1.676 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.180 5.686 0.741 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.553 5.115 -0.627 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.012 4.684 -0.646 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.282 6.135 -1.723 1.00 0.00 C ATOM 0 H LEU A 97 -7.908 3.713 1.519 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.131 5.933 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.670 5.087 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.588 6.694 0.815 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.934 4.238 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.259 4.280 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.175 3.919 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.648 5.544 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.553 5.711 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.875 7.031 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.223 6.394 -1.725 1.00 0.00 H new ATOM 1523 N SER A 98 -7.894 6.746 3.258 1.00 0.00 N ATOM 1524 CA SER A 98 -7.697 7.766 4.281 1.00 0.00 C ATOM 1525 C SER A 98 -6.230 8.176 4.365 1.00 0.00 C ATOM 1526 O SER A 98 -5.907 9.363 4.386 1.00 0.00 O ATOM 1527 CB SER A 98 -8.174 7.252 5.641 1.00 0.00 C ATOM 1528 OG SER A 98 -9.584 7.339 5.754 1.00 0.00 O ATOM 0 H SER A 98 -8.430 5.936 3.568 1.00 0.00 H new ATOM 0 HA SER A 98 -8.285 8.641 4.004 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.859 6.217 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.706 7.832 6.437 1.00 0.00 H new ATOM 0 HG SER A 98 -9.992 6.528 5.385 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.347 7.184 4.413 1.00 0.00 N ATOM 1535 CA GLU A 99 -3.914 7.441 4.496 1.00 0.00 C ATOM 1536 C GLU A 99 -3.412 8.137 3.234 1.00 0.00 C ATOM 1537 O GLU A 99 -2.645 9.097 3.305 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.150 6.132 4.707 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.515 5.416 5.997 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.479 6.333 7.204 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -2.391 6.862 7.513 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -4.537 6.520 7.839 1.00 0.00 O ATOM 0 H GLU A 99 -5.598 6.196 4.396 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.738 8.098 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.344 5.468 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.080 6.341 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.513 4.988 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.826 4.586 6.155 1.00 0.00 H new ATOM 1549 N SER A 100 -3.851 7.645 2.080 1.00 0.00 N ATOM 1550 CA SER A 100 -3.444 8.216 0.801 1.00 0.00 C ATOM 1551 C SER A 100 -4.115 9.567 0.571 1.00 0.00 C ATOM 1552 O SER A 100 -5.126 9.660 -0.124 1.00 0.00 O ATOM 1553 CB SER A 100 -3.790 7.260 -0.342 1.00 0.00 C ATOM 1554 OG SER A 100 -5.191 7.070 -0.440 1.00 0.00 O ATOM 0 H SER A 100 -4.488 6.852 2.004 1.00 0.00 H new ATOM 0 HA SER A 100 -2.365 8.366 0.825 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.407 7.658 -1.282 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.300 6.300 -0.179 1.00 0.00 H new ATOM 0 HG SER A 100 -5.654 7.849 -0.066 1.00 0.00 H new