USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN : amide:sc= 1.01 K(o=0.97,f=-0.95) USER MOD Set 1.2: A 91 MET CE :methyl 161:sc= -0.032 (180deg=-0.421) USER MOD Set 2.1: A 63 GLN : amide:sc= 0 X(o=-2.3,f=-2.3) USER MOD Set 2.2: A 64 ASN : amide:sc= -2.34 K(o=-2.3,f=-2.9!) USER MOD Set 3.1: A 25 TYR OH : rot -146:sc= 1.05 USER MOD Set 3.2: A 48 HIS : no HE2:sc= -2.89! C(o=-1.8!,f=-7.8!) USER MOD Set 4.1: A 44 CYS SG : rot 60:sc= 0.512 USER MOD Set 4.2: A 68 ASN : amide:sc= -2.85! C(o=-2.3!,f=-4.6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -142:sc= 1.32 USER MOD Single : A 19 GLN : amide:sc= 0.302 K(o=0.3,f=-0.42) USER MOD Single : A 21 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.33) USER MOD Single : A 22 THR OG1 : rot -68:sc= 1.26 USER MOD Single : A 29 ASN : amide:sc= -1.37! C(o=-1.4!,f=-2.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 78:sc= 1.21 USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= -0.862 (180deg=-2.68!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 50 TYR OH : rot 16:sc= 0.177 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.065) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 151:sc= 0 (180deg=-0.283) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0379 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -162:sc= -0.138 (180deg=-0.732) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot -94:sc= 0.0342 USER MOD Single : A 107 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 108 GLN : amide:sc= -4.62! C(o=-4.6!,f=-4.1!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 162:sc= -0.0738 (180deg=-0.227) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 127 N SER A 12 8.128 -9.190 -6.620 1.00 0.00 N ATOM 128 CA SER A 12 8.045 -8.245 -7.727 1.00 0.00 C ATOM 129 C SER A 12 8.759 -6.941 -7.383 1.00 0.00 C ATOM 130 O SER A 12 8.657 -6.441 -6.263 1.00 0.00 O ATOM 131 CB SER A 12 6.582 -7.962 -8.076 1.00 0.00 C ATOM 132 OG SER A 12 6.016 -9.035 -8.809 1.00 0.00 O ATOM 0 HA SER A 12 8.537 -8.692 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.011 -7.801 -7.161 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.515 -7.044 -8.659 1.00 0.00 H new ATOM 0 HG SER A 12 5.081 -8.831 -9.018 1.00 0.00 H new ATOM 138 N LYS A 13 9.482 -6.396 -8.355 1.00 0.00 N ATOM 139 CA LYS A 13 10.214 -5.150 -8.158 1.00 0.00 C ATOM 140 C LYS A 13 9.454 -4.216 -7.221 1.00 0.00 C ATOM 141 O LYS A 13 9.988 -3.773 -6.203 1.00 0.00 O ATOM 142 CB LYS A 13 10.453 -4.457 -9.501 1.00 0.00 C ATOM 143 CG LYS A 13 11.375 -3.254 -9.409 1.00 0.00 C ATOM 144 CD LYS A 13 12.826 -3.673 -9.247 1.00 0.00 C ATOM 145 CE LYS A 13 13.700 -2.505 -8.817 1.00 0.00 C ATOM 146 NZ LYS A 13 15.086 -2.939 -8.492 1.00 0.00 N ATOM 0 H LYS A 13 9.577 -6.798 -9.288 1.00 0.00 H new ATOM 0 HA LYS A 13 11.175 -5.390 -7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.877 -5.177 -10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.495 -4.139 -9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.270 -2.645 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.079 -2.632 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.895 -4.471 -8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.196 -4.078 -10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.730 -1.761 -9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.257 -2.022 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.649 -2.114 -8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.060 -3.630 -7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.518 -3.377 -9.330 1.00 0.00 H new ATOM 160 N LEU A 14 8.207 -3.922 -7.570 1.00 0.00 N ATOM 161 CA LEU A 14 7.373 -3.041 -6.759 1.00 0.00 C ATOM 162 C LEU A 14 7.280 -3.549 -5.323 1.00 0.00 C ATOM 163 O LEU A 14 7.603 -2.831 -4.377 1.00 0.00 O ATOM 164 CB LEU A 14 5.973 -2.931 -7.365 1.00 0.00 C ATOM 165 CG LEU A 14 4.885 -2.374 -6.446 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.037 -0.868 -6.291 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.504 -2.720 -6.982 1.00 0.00 C ATOM 0 H LEU A 14 7.751 -4.280 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 14 7.835 -2.054 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.031 -2.298 -8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.665 -3.921 -7.700 1.00 0.00 H new ATOM 0 HG LEU A 14 4.996 -2.833 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.254 -0.489 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.013 -0.643 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.953 -0.391 -7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.743 -2.315 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.381 -2.290 -7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.397 -3.803 -7.040 1.00 0.00 H new ATOM 179 N LEU A 15 6.838 -4.793 -5.169 1.00 0.00 N ATOM 180 CA LEU A 15 6.704 -5.399 -3.849 1.00 0.00 C ATOM 181 C LEU A 15 7.921 -5.092 -2.983 1.00 0.00 C ATOM 182 O LEU A 15 7.802 -4.488 -1.918 1.00 0.00 O ATOM 183 CB LEU A 15 6.523 -6.913 -3.978 1.00 0.00 C ATOM 184 CG LEU A 15 6.760 -7.727 -2.705 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.671 -7.447 -1.682 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.822 -9.213 -3.027 1.00 0.00 C ATOM 0 H LEU A 15 6.567 -5.401 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 15 5.823 -4.974 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.509 -7.109 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.202 -7.276 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 15 7.717 -7.427 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.856 -8.035 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.673 -6.387 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.701 -7.718 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.991 -9.777 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.881 -9.527 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.639 -9.400 -3.724 1.00 0.00 H new ATOM 198 N GLY A 16 9.094 -5.512 -3.449 1.00 0.00 N ATOM 199 CA GLY A 16 10.317 -5.271 -2.706 1.00 0.00 C ATOM 200 C GLY A 16 10.316 -3.925 -2.009 1.00 0.00 C ATOM 201 O GLY A 16 10.624 -3.834 -0.821 1.00 0.00 O ATOM 0 H GLY A 16 9.219 -6.015 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.450 -6.060 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.168 -5.324 -3.385 1.00 0.00 H new ATOM 205 N TRP A 17 9.972 -2.878 -2.750 1.00 0.00 N ATOM 206 CA TRP A 17 9.935 -1.529 -2.196 1.00 0.00 C ATOM 207 C TRP A 17 9.096 -1.486 -0.924 1.00 0.00 C ATOM 208 O TRP A 17 9.554 -1.011 0.116 1.00 0.00 O ATOM 209 CB TRP A 17 9.372 -0.548 -3.226 1.00 0.00 C ATOM 210 CG TRP A 17 9.508 0.887 -2.815 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.655 1.628 -2.793 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.460 1.752 -2.366 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.383 2.902 -2.357 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.043 3.004 -2.089 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.085 1.593 -2.172 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.298 4.087 -1.629 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.347 2.668 -1.715 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.955 3.902 -1.448 1.00 0.00 C ATOM 0 H TRP A 17 9.715 -2.937 -3.735 1.00 0.00 H new ATOM 0 HA TRP A 17 10.955 -1.237 -1.946 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.884 -0.696 -4.177 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.319 -0.772 -3.393 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.632 1.266 -3.077 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.067 3.651 -2.250 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.608 0.646 -2.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.764 5.039 -1.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.284 2.555 -1.561 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.351 4.724 -1.092 1.00 0.00 H new ATOM 229 N CYS A 18 7.869 -1.985 -1.012 1.00 0.00 N ATOM 230 CA CYS A 18 6.966 -2.003 0.133 1.00 0.00 C ATOM 231 C CYS A 18 7.572 -2.789 1.291 1.00 0.00 C ATOM 232 O CYS A 18 7.688 -2.280 2.405 1.00 0.00 O ATOM 233 CB CYS A 18 5.619 -2.610 -0.262 1.00 0.00 C ATOM 234 SG CYS A 18 4.724 -1.667 -1.518 1.00 0.00 S ATOM 0 H CYS A 18 7.476 -2.383 -1.865 1.00 0.00 H new ATOM 0 HA CYS A 18 6.811 -0.974 0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.783 -3.622 -0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.995 -2.693 0.628 1.00 0.00 H new ATOM 0 HG CYS A 18 3.452 -1.687 -1.251 1.00 0.00 H new ATOM 240 N GLN A 19 7.955 -4.033 1.019 1.00 0.00 N ATOM 241 CA GLN A 19 8.547 -4.890 2.039 1.00 0.00 C ATOM 242 C GLN A 19 9.658 -4.160 2.786 1.00 0.00 C ATOM 243 O GLN A 19 9.813 -4.317 3.997 1.00 0.00 O ATOM 244 CB GLN A 19 9.097 -6.169 1.405 1.00 0.00 C ATOM 245 CG GLN A 19 8.069 -6.932 0.585 1.00 0.00 C ATOM 246 CD GLN A 19 8.324 -8.426 0.575 1.00 0.00 C ATOM 247 OE1 GLN A 19 9.440 -8.875 0.310 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.289 -9.206 0.863 1.00 0.00 N ATOM 0 H GLN A 19 7.866 -4.469 0.101 1.00 0.00 H new ATOM 0 HA GLN A 19 7.767 -5.154 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.942 -5.913 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.478 -6.820 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.074 -6.740 0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.077 -6.559 -0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.382 -8.791 1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.401 -10.220 0.871 1.00 0.00 H new ATOM 257 N ARG A 20 10.430 -3.361 2.055 1.00 0.00 N ATOM 258 CA ARG A 20 11.528 -2.608 2.648 1.00 0.00 C ATOM 259 C ARG A 20 11.005 -1.403 3.424 1.00 0.00 C ATOM 260 O ARG A 20 11.403 -1.168 4.564 1.00 0.00 O ATOM 261 CB ARG A 20 12.502 -2.145 1.563 1.00 0.00 C ATOM 262 CG ARG A 20 13.283 -3.280 0.921 1.00 0.00 C ATOM 263 CD ARG A 20 14.275 -2.762 -0.108 1.00 0.00 C ATOM 264 NE ARG A 20 13.610 -2.079 -1.215 1.00 0.00 N ATOM 265 CZ ARG A 20 14.235 -1.689 -2.320 1.00 0.00 C ATOM 266 NH1 ARG A 20 15.533 -1.913 -2.465 1.00 0.00 N ATOM 267 NH2 ARG A 20 13.560 -1.073 -3.283 1.00 0.00 N ATOM 0 H ARG A 20 10.315 -3.219 1.052 1.00 0.00 H new ATOM 0 HA ARG A 20 12.053 -3.265 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.946 -1.615 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.204 -1.432 1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.815 -3.838 1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.592 -3.974 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.972 -2.077 0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.862 -3.594 -0.496 1.00 0.00 H new ATOM 0 HE ARG A 20 12.611 -1.891 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.054 -2.386 -1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.011 -1.612 -3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.561 -0.899 -3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.041 -0.774 -4.131 1.00 0.00 H new ATOM 281 N GLN A 21 10.111 -0.645 2.797 1.00 0.00 N ATOM 282 CA GLN A 21 9.534 0.536 3.429 1.00 0.00 C ATOM 283 C GLN A 21 8.663 0.146 4.618 1.00 0.00 C ATOM 284 O GLN A 21 8.963 0.490 5.762 1.00 0.00 O ATOM 285 CB GLN A 21 8.709 1.331 2.416 1.00 0.00 C ATOM 286 CG GLN A 21 9.536 1.911 1.280 1.00 0.00 C ATOM 287 CD GLN A 21 10.889 2.417 1.741 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.977 3.376 2.509 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.952 1.774 1.275 1.00 0.00 N ATOM 0 H GLN A 21 9.771 -0.827 1.853 1.00 0.00 H new ATOM 0 HA GLN A 21 10.352 1.160 3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.938 0.683 1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.198 2.143 2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.679 1.149 0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.985 2.729 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.833 0.984 0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.888 2.069 1.551 1.00 0.00 H new ATOM 298 N THR A 22 7.580 -0.574 4.342 1.00 0.00 N ATOM 299 CA THR A 22 6.664 -1.010 5.388 1.00 0.00 C ATOM 300 C THR A 22 7.423 -1.547 6.595 1.00 0.00 C ATOM 301 O THR A 22 6.991 -1.381 7.736 1.00 0.00 O ATOM 302 CB THR A 22 5.702 -2.098 4.875 1.00 0.00 C ATOM 303 OG1 THR A 22 6.442 -3.251 4.459 1.00 0.00 O ATOM 304 CG2 THR A 22 4.868 -1.579 3.713 1.00 0.00 C ATOM 0 H THR A 22 7.316 -0.868 3.402 1.00 0.00 H new ATOM 0 HA THR A 22 6.086 -0.135 5.686 1.00 0.00 H new ATOM 0 HB THR A 22 5.032 -2.372 5.690 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.963 -3.034 3.658 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.196 -2.365 3.368 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.283 -0.720 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.526 -1.280 2.897 1.00 0.00 H new ATOM 312 N ASP A 23 8.556 -2.190 6.337 1.00 0.00 N ATOM 313 CA ASP A 23 9.377 -2.751 7.404 1.00 0.00 C ATOM 314 C ASP A 23 9.427 -1.810 8.603 1.00 0.00 C ATOM 315 O ASP A 23 9.860 -0.664 8.489 1.00 0.00 O ATOM 316 CB ASP A 23 10.794 -3.024 6.896 1.00 0.00 C ATOM 317 CG ASP A 23 11.673 -3.668 7.951 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.639 -4.910 8.074 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.394 -2.929 8.654 1.00 0.00 O ATOM 0 H ASP A 23 8.927 -2.336 5.398 1.00 0.00 H new ATOM 0 HA ASP A 23 8.925 -3.691 7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.745 -3.674 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.247 -2.087 6.572 1.00 0.00 H new ATOM 324 N GLY A 24 8.978 -2.302 9.754 1.00 0.00 N ATOM 325 CA GLY A 24 8.979 -1.491 10.958 1.00 0.00 C ATOM 326 C GLY A 24 7.633 -1.487 11.655 1.00 0.00 C ATOM 327 O GLY A 24 7.561 -1.421 12.882 1.00 0.00 O ATOM 0 H GLY A 24 8.614 -3.247 9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.739 -1.865 11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.256 -0.468 10.703 1.00 0.00 H new ATOM 331 N TYR A 25 6.562 -1.557 10.871 1.00 0.00 N ATOM 332 CA TYR A 25 5.212 -1.557 11.420 1.00 0.00 C ATOM 333 C TYR A 25 4.857 -2.925 11.994 1.00 0.00 C ATOM 334 O TYR A 25 5.324 -3.955 11.508 1.00 0.00 O ATOM 335 CB TYR A 25 4.200 -1.166 10.342 1.00 0.00 C ATOM 336 CG TYR A 25 4.223 0.305 9.994 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.276 0.852 9.271 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.191 1.148 10.388 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.301 2.196 8.952 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.207 2.493 10.072 1.00 0.00 C ATOM 341 CZ TYR A 25 4.265 3.012 9.355 1.00 0.00 C ATOM 342 OH TYR A 25 4.286 4.351 9.038 1.00 0.00 O ATOM 0 H TYR A 25 6.603 -1.614 9.853 1.00 0.00 H new ATOM 0 HA TYR A 25 5.176 -0.824 12.226 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.399 -1.747 9.441 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.199 -1.435 10.680 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.089 0.216 8.953 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.362 0.745 10.951 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.127 2.605 8.390 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.396 3.134 10.384 1.00 0.00 H new ATOM 0 HH TYR A 25 3.865 4.864 9.759 1.00 0.00 H new ATOM 352 N ALA A 26 4.027 -2.927 13.032 1.00 0.00 N ATOM 353 CA ALA A 26 3.606 -4.167 13.672 1.00 0.00 C ATOM 354 C ALA A 26 2.327 -4.704 13.040 1.00 0.00 C ATOM 355 O ALA A 26 1.328 -3.993 12.937 1.00 0.00 O ATOM 356 CB ALA A 26 3.410 -3.951 15.165 1.00 0.00 C ATOM 0 H ALA A 26 3.633 -2.083 13.448 1.00 0.00 H new ATOM 0 HA ALA A 26 4.392 -4.908 13.524 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.096 -4.886 15.630 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.348 -3.622 15.611 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.645 -3.191 15.325 1.00 0.00 H new ATOM 362 N GLY A 27 2.364 -5.965 12.618 1.00 0.00 N ATOM 363 CA GLY A 27 1.201 -6.575 12.001 1.00 0.00 C ATOM 364 C GLY A 27 1.155 -6.351 10.503 1.00 0.00 C ATOM 365 O GLY A 27 0.486 -7.087 9.778 1.00 0.00 O ATOM 0 H GLY A 27 3.179 -6.574 12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.205 -7.646 12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.297 -6.167 12.454 1.00 0.00 H new ATOM 369 N VAL A 28 1.867 -5.330 10.036 1.00 0.00 N ATOM 370 CA VAL A 28 1.904 -5.010 8.614 1.00 0.00 C ATOM 371 C VAL A 28 2.919 -5.880 7.882 1.00 0.00 C ATOM 372 O VAL A 28 3.875 -5.376 7.295 1.00 0.00 O ATOM 373 CB VAL A 28 2.253 -3.528 8.381 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.377 -3.236 6.894 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.209 -2.628 9.025 1.00 0.00 C ATOM 0 H VAL A 28 2.426 -4.710 10.622 1.00 0.00 H new ATOM 0 HA VAL A 28 0.907 -5.208 8.219 1.00 0.00 H new ATOM 0 HB VAL A 28 3.216 -3.321 8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.624 -2.184 6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.165 -3.856 6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.431 -3.458 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.471 -1.584 8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.232 -2.834 8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.175 -2.819 10.098 1.00 0.00 H new ATOM 385 N ASN A 29 2.703 -7.191 7.921 1.00 0.00 N ATOM 386 CA ASN A 29 3.600 -8.133 7.260 1.00 0.00 C ATOM 387 C ASN A 29 3.195 -8.340 5.804 1.00 0.00 C ATOM 388 O ASN A 29 2.409 -9.234 5.488 1.00 0.00 O ATOM 389 CB ASN A 29 3.597 -9.474 7.997 1.00 0.00 C ATOM 390 CG ASN A 29 2.274 -10.203 7.867 1.00 0.00 C ATOM 391 OD1 ASN A 29 1.253 -9.758 8.391 1.00 0.00 O ATOM 392 ND2 ASN A 29 2.287 -11.331 7.165 1.00 0.00 N ATOM 0 H ASN A 29 1.916 -7.625 8.403 1.00 0.00 H new ATOM 0 HA ASN A 29 4.606 -7.715 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.395 -10.103 7.604 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.814 -9.306 9.052 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.427 -11.866 7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.157 -11.662 6.748 1.00 0.00 H new ATOM 399 N VAL A 30 3.737 -7.508 4.921 1.00 0.00 N ATOM 400 CA VAL A 30 3.434 -7.600 3.497 1.00 0.00 C ATOM 401 C VAL A 30 4.140 -8.792 2.861 1.00 0.00 C ATOM 402 O VAL A 30 5.322 -8.720 2.523 1.00 0.00 O ATOM 403 CB VAL A 30 3.844 -6.316 2.752 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.663 -6.488 1.252 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.044 -5.126 3.261 1.00 0.00 C ATOM 0 H VAL A 30 4.388 -6.762 5.166 1.00 0.00 H new ATOM 0 HA VAL A 30 2.356 -7.732 3.410 1.00 0.00 H new ATOM 0 HB VAL A 30 4.899 -6.125 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.958 -5.571 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.284 -7.313 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.617 -6.704 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.347 -4.227 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.981 -5.306 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.230 -4.991 4.327 1.00 0.00 H new ATOM 415 N THR A 31 3.407 -9.890 2.700 1.00 0.00 N ATOM 416 CA THR A 31 3.963 -11.098 2.105 1.00 0.00 C ATOM 417 C THR A 31 3.456 -11.293 0.680 1.00 0.00 C ATOM 418 O THR A 31 4.069 -12.006 -0.115 1.00 0.00 O ATOM 419 CB THR A 31 3.613 -12.346 2.937 1.00 0.00 C ATOM 420 OG1 THR A 31 4.157 -13.517 2.317 1.00 0.00 O ATOM 421 CG2 THR A 31 2.105 -12.496 3.079 1.00 0.00 C ATOM 0 H THR A 31 2.427 -9.967 2.974 1.00 0.00 H new ATOM 0 HA THR A 31 5.046 -10.973 2.089 1.00 0.00 H new ATOM 0 HB THR A 31 4.046 -12.227 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.931 -14.306 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.882 -13.384 3.670 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.697 -11.616 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.655 -12.595 2.091 1.00 0.00 H new ATOM 429 N ASP A 32 2.335 -10.654 0.364 1.00 0.00 N ATOM 430 CA ASP A 32 1.747 -10.755 -0.966 1.00 0.00 C ATOM 431 C ASP A 32 1.086 -9.441 -1.370 1.00 0.00 C ATOM 432 O ASP A 32 0.513 -8.739 -0.535 1.00 0.00 O ATOM 433 CB ASP A 32 0.722 -11.890 -1.009 1.00 0.00 C ATOM 434 CG ASP A 32 -0.062 -12.011 0.283 1.00 0.00 C ATOM 435 OD1 ASP A 32 -0.822 -11.074 0.605 1.00 0.00 O ATOM 436 OD2 ASP A 32 0.086 -13.042 0.972 1.00 0.00 O ATOM 0 H ASP A 32 1.816 -10.061 1.011 1.00 0.00 H new ATOM 0 HA ASP A 32 2.547 -10.971 -1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.031 -11.721 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.234 -12.831 -1.209 1.00 0.00 H new ATOM 441 N LEU A 33 1.170 -9.113 -2.654 1.00 0.00 N ATOM 442 CA LEU A 33 0.581 -7.881 -3.169 1.00 0.00 C ATOM 443 C LEU A 33 -0.900 -8.074 -3.479 1.00 0.00 C ATOM 444 O LEU A 33 -1.408 -7.570 -4.482 1.00 0.00 O ATOM 445 CB LEU A 33 1.322 -7.425 -4.427 1.00 0.00 C ATOM 446 CG LEU A 33 2.768 -6.971 -4.227 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.472 -6.825 -5.567 1.00 0.00 C ATOM 448 CD2 LEU A 33 2.813 -5.662 -3.453 1.00 0.00 C ATOM 0 H LEU A 33 1.640 -9.682 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 33 0.676 -7.113 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.316 -8.245 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.763 -6.604 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 33 3.291 -7.731 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.500 -6.501 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.471 -7.784 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.950 -6.085 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.850 -5.354 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.274 -4.893 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.347 -5.800 -2.477 1.00 0.00 H new ATOM 460 N THR A 34 -1.591 -8.807 -2.611 1.00 0.00 N ATOM 461 CA THR A 34 -3.014 -9.066 -2.792 1.00 0.00 C ATOM 462 C THR A 34 -3.778 -8.871 -1.487 1.00 0.00 C ATOM 463 O THR A 34 -4.635 -7.994 -1.385 1.00 0.00 O ATOM 464 CB THR A 34 -3.263 -10.495 -3.310 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.308 -11.397 -2.740 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.172 -10.544 -4.828 1.00 0.00 C ATOM 0 H THR A 34 -1.188 -9.232 -1.776 1.00 0.00 H new ATOM 0 HA THR A 34 -3.374 -8.351 -3.532 1.00 0.00 H new ATOM 0 HB THR A 34 -4.268 -10.795 -3.012 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.475 -12.303 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.351 -11.563 -5.171 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.921 -9.879 -5.259 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.179 -10.225 -5.143 1.00 0.00 H new ATOM 474 N MET A 35 -3.461 -9.693 -0.492 1.00 0.00 N ATOM 475 CA MET A 35 -4.117 -9.608 0.807 1.00 0.00 C ATOM 476 C MET A 35 -3.430 -8.577 1.697 1.00 0.00 C ATOM 477 O MET A 35 -4.090 -7.816 2.405 1.00 0.00 O ATOM 478 CB MET A 35 -4.114 -10.975 1.495 1.00 0.00 C ATOM 479 CG MET A 35 -4.892 -12.038 0.737 1.00 0.00 C ATOM 480 SD MET A 35 -5.311 -13.458 1.766 1.00 0.00 S ATOM 481 CE MET A 35 -7.091 -13.503 1.572 1.00 0.00 C ATOM 0 H MET A 35 -2.754 -10.425 -0.561 1.00 0.00 H new ATOM 0 HA MET A 35 -5.148 -9.293 0.645 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.084 -11.309 1.618 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.536 -10.871 2.494 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.807 -11.599 0.340 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.303 -12.374 -0.117 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.499 -14.331 2.151 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.520 -12.566 1.927 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.339 -13.639 0.519 1.00 0.00 H new ATOM 491 N SER A 36 -2.102 -8.557 1.656 1.00 0.00 N ATOM 492 CA SER A 36 -1.326 -7.622 2.462 1.00 0.00 C ATOM 493 C SER A 36 -1.953 -6.231 2.435 1.00 0.00 C ATOM 494 O SER A 36 -1.765 -5.436 3.356 1.00 0.00 O ATOM 495 CB SER A 36 0.116 -7.553 1.954 1.00 0.00 C ATOM 496 OG SER A 36 0.709 -8.840 1.927 1.00 0.00 O ATOM 0 H SER A 36 -1.541 -9.178 1.073 1.00 0.00 H new ATOM 0 HA SER A 36 -1.325 -7.982 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.132 -7.121 0.954 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.700 -6.893 2.596 1.00 0.00 H new ATOM 0 HG SER A 36 0.392 -9.330 1.140 1.00 0.00 H new ATOM 502 N TRP A 37 -2.699 -5.947 1.374 1.00 0.00 N ATOM 503 CA TRP A 37 -3.355 -4.652 1.227 1.00 0.00 C ATOM 504 C TRP A 37 -4.841 -4.755 1.552 1.00 0.00 C ATOM 505 O TRP A 37 -5.466 -3.777 1.964 1.00 0.00 O ATOM 506 CB TRP A 37 -3.168 -4.121 -0.196 1.00 0.00 C ATOM 507 CG TRP A 37 -1.737 -4.111 -0.641 1.00 0.00 C ATOM 508 CD1 TRP A 37 -1.095 -5.078 -1.361 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.770 -3.084 -0.395 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.212 -4.714 -1.577 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.436 -3.495 -0.995 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.806 -1.856 0.272 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.593 -2.722 -0.946 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.343 -1.090 0.320 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.529 -1.524 -0.286 1.00 0.00 C ATOM 0 H TRP A 37 -2.865 -6.594 0.604 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.895 -3.958 1.930 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.751 -4.733 -0.884 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.566 -3.108 -0.254 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.548 -5.994 -1.709 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.903 -5.263 -2.088 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.716 -1.512 0.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.508 -3.055 -1.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.326 -0.140 0.834 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.410 -0.902 -0.232 1.00 0.00 H new ATOM 526 N LYS A 38 -5.403 -5.944 1.365 1.00 0.00 N ATOM 527 CA LYS A 38 -6.816 -6.176 1.640 1.00 0.00 C ATOM 528 C LYS A 38 -7.206 -5.607 3.001 1.00 0.00 C ATOM 529 O LYS A 38 -8.284 -5.035 3.160 1.00 0.00 O ATOM 530 CB LYS A 38 -7.127 -7.673 1.593 1.00 0.00 C ATOM 531 CG LYS A 38 -7.511 -8.171 0.210 1.00 0.00 C ATOM 532 CD LYS A 38 -8.075 -9.582 0.262 1.00 0.00 C ATOM 533 CE LYS A 38 -9.553 -9.578 0.618 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.770 -9.447 2.085 1.00 0.00 N ATOM 0 H LYS A 38 -4.901 -6.763 1.024 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.398 -5.666 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.256 -8.228 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.940 -7.889 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.249 -7.499 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.637 -8.151 -0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.934 -10.067 -0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.524 -10.168 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.048 -8.755 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.014 -10.500 0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.614 -9.989 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.941 -9.816 2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.907 -8.445 2.328 1.00 0.00 H new ATOM 548 N SER A 39 -6.320 -5.768 3.980 1.00 0.00 N ATOM 549 CA SER A 39 -6.573 -5.273 5.328 1.00 0.00 C ATOM 550 C SER A 39 -6.632 -3.748 5.344 1.00 0.00 C ATOM 551 O SER A 39 -7.471 -3.155 6.021 1.00 0.00 O ATOM 552 CB SER A 39 -5.486 -5.763 6.286 1.00 0.00 C ATOM 553 OG SER A 39 -4.255 -5.105 6.041 1.00 0.00 O ATOM 0 H SER A 39 -5.422 -6.237 3.864 1.00 0.00 H new ATOM 0 HA SER A 39 -7.538 -5.660 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.798 -5.586 7.315 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.355 -6.839 6.173 1.00 0.00 H new ATOM 0 HG SER A 39 -3.577 -5.435 6.668 1.00 0.00 H new ATOM 559 N GLY A 40 -5.732 -3.119 4.594 1.00 0.00 N ATOM 560 CA GLY A 40 -5.697 -1.670 4.536 1.00 0.00 C ATOM 561 C GLY A 40 -4.490 -1.090 5.245 1.00 0.00 C ATOM 562 O GLY A 40 -3.938 -0.074 4.819 1.00 0.00 O ATOM 0 H GLY A 40 -5.027 -3.588 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.690 -1.351 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.606 -1.270 4.986 1.00 0.00 H new ATOM 566 N LEU A 41 -4.078 -1.734 6.332 1.00 0.00 N ATOM 567 CA LEU A 41 -2.928 -1.275 7.104 1.00 0.00 C ATOM 568 C LEU A 41 -1.783 -0.867 6.183 1.00 0.00 C ATOM 569 O LEU A 41 -1.374 0.294 6.162 1.00 0.00 O ATOM 570 CB LEU A 41 -2.462 -2.373 8.061 1.00 0.00 C ATOM 571 CG LEU A 41 -3.414 -2.712 9.209 1.00 0.00 C ATOM 572 CD1 LEU A 41 -2.922 -3.935 9.967 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.561 -1.524 10.148 1.00 0.00 C ATOM 0 H LEU A 41 -4.523 -2.575 6.699 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.233 -0.403 7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.285 -3.280 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.504 -2.074 8.486 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.393 -2.941 8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.612 -4.161 10.780 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.869 -4.787 9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.932 -3.735 10.376 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.242 -1.783 10.959 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.586 -1.264 10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.960 -0.672 9.597 1.00 0.00 H new ATOM 585 N ALA A 42 -1.270 -1.828 5.423 1.00 0.00 N ATOM 586 CA ALA A 42 -0.174 -1.567 4.497 1.00 0.00 C ATOM 587 C ALA A 42 -0.297 -0.179 3.878 1.00 0.00 C ATOM 588 O ALA A 42 0.479 0.724 4.194 1.00 0.00 O ATOM 589 CB ALA A 42 -0.138 -2.631 3.410 1.00 0.00 C ATOM 0 H ALA A 42 -1.595 -2.795 5.430 1.00 0.00 H new ATOM 0 HA ALA A 42 0.760 -1.604 5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.685 -2.424 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.006 -3.611 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.079 -2.621 2.860 1.00 0.00 H new ATOM 595 N LEU A 43 -1.276 -0.015 2.995 1.00 0.00 N ATOM 596 CA LEU A 43 -1.500 1.264 2.330 1.00 0.00 C ATOM 597 C LEU A 43 -1.398 2.418 3.322 1.00 0.00 C ATOM 598 O LEU A 43 -0.820 3.463 3.017 1.00 0.00 O ATOM 599 CB LEU A 43 -2.873 1.277 1.656 1.00 0.00 C ATOM 600 CG LEU A 43 -3.076 2.332 0.567 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.943 2.279 -0.445 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.419 2.136 -0.121 1.00 0.00 C ATOM 0 H LEU A 43 -1.927 -0.751 2.723 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.728 1.391 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.051 0.294 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.631 1.426 2.424 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.071 3.316 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.104 3.036 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.996 2.469 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.915 1.293 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.547 2.895 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.454 1.146 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.220 2.226 0.613 1.00 0.00 H new ATOM 614 N CYS A 44 -1.960 2.222 4.510 1.00 0.00 N ATOM 615 CA CYS A 44 -1.930 3.247 5.548 1.00 0.00 C ATOM 616 C CYS A 44 -0.506 3.480 6.042 1.00 0.00 C ATOM 617 O CYS A 44 -0.124 4.607 6.355 1.00 0.00 O ATOM 618 CB CYS A 44 -2.829 2.843 6.718 1.00 0.00 C ATOM 619 SG CYS A 44 -4.518 2.411 6.236 1.00 0.00 S ATOM 0 H CYS A 44 -2.441 1.364 4.778 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.302 4.177 5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.380 1.992 7.230 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.866 3.664 7.434 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.490 1.408 5.409 1.00 0.00 H new ATOM 625 N ALA A 45 0.274 2.407 6.109 1.00 0.00 N ATOM 626 CA ALA A 45 1.656 2.494 6.565 1.00 0.00 C ATOM 627 C ALA A 45 2.540 3.156 5.512 1.00 0.00 C ATOM 628 O ALA A 45 3.573 3.741 5.836 1.00 0.00 O ATOM 629 CB ALA A 45 2.187 1.110 6.909 1.00 0.00 C ATOM 0 H ALA A 45 -0.027 1.467 5.853 1.00 0.00 H new ATOM 0 HA ALA A 45 1.679 3.112 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.220 1.190 7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.578 0.673 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.144 0.474 6.025 1.00 0.00 H new ATOM 635 N ILE A 46 2.127 3.057 4.253 1.00 0.00 N ATOM 636 CA ILE A 46 2.882 3.647 3.154 1.00 0.00 C ATOM 637 C ILE A 46 2.861 5.170 3.228 1.00 0.00 C ATOM 638 O ILE A 46 3.908 5.817 3.196 1.00 0.00 O ATOM 639 CB ILE A 46 2.327 3.202 1.788 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.477 1.689 1.620 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.038 3.939 0.663 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.914 1.217 1.654 1.00 0.00 C ATOM 0 H ILE A 46 1.275 2.574 3.969 1.00 0.00 H new ATOM 0 HA ILE A 46 3.909 3.296 3.252 1.00 0.00 H new ATOM 0 HB ILE A 46 1.266 3.449 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.919 1.187 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.027 1.390 0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.635 3.614 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.884 5.012 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.105 3.720 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.944 0.135 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.472 1.691 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.362 1.485 2.611 1.00 0.00 H new ATOM 654 N ILE A 47 1.663 5.735 3.328 1.00 0.00 N ATOM 655 CA ILE A 47 1.506 7.182 3.409 1.00 0.00 C ATOM 656 C ILE A 47 2.126 7.731 4.690 1.00 0.00 C ATOM 657 O ILE A 47 2.813 8.753 4.671 1.00 0.00 O ATOM 658 CB ILE A 47 0.023 7.592 3.353 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.574 7.245 1.988 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.128 9.078 3.641 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.086 7.280 1.963 1.00 0.00 C ATOM 0 H ILE A 47 0.787 5.213 3.355 1.00 0.00 H new ATOM 0 HA ILE A 47 2.023 7.604 2.547 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.520 7.037 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.190 7.944 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.237 6.251 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.182 9.352 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.263 9.298 4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.427 9.651 2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.439 7.024 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.479 6.561 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.431 8.280 2.224 1.00 0.00 H new ATOM 673 N HIS A 48 1.879 7.045 5.801 1.00 0.00 N ATOM 674 CA HIS A 48 2.415 7.463 7.092 1.00 0.00 C ATOM 675 C HIS A 48 3.940 7.414 7.088 1.00 0.00 C ATOM 676 O HIS A 48 4.602 8.338 7.562 1.00 0.00 O ATOM 677 CB HIS A 48 1.867 6.573 8.208 1.00 0.00 C ATOM 678 CG HIS A 48 2.366 6.945 9.570 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.691 6.848 9.939 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.709 7.417 10.655 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.827 7.244 11.192 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.639 7.595 11.649 1.00 0.00 N ATOM 0 H HIS A 48 1.312 6.198 5.834 1.00 0.00 H new ATOM 0 HA HIS A 48 2.102 8.492 7.272 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.778 6.626 8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.137 5.537 8.001 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.448 6.521 9.338 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.650 7.617 10.726 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.752 7.275 11.748 1.00 0.00 H new ATOM 691 N ARG A 49 4.491 6.330 6.552 1.00 0.00 N ATOM 692 CA ARG A 49 5.938 6.160 6.489 1.00 0.00 C ATOM 693 C ARG A 49 6.629 7.486 6.185 1.00 0.00 C ATOM 694 O ARG A 49 7.557 7.889 6.886 1.00 0.00 O ATOM 695 CB ARG A 49 6.305 5.126 5.423 1.00 0.00 C ATOM 696 CG ARG A 49 7.802 4.909 5.275 1.00 0.00 C ATOM 697 CD ARG A 49 8.321 3.896 6.284 1.00 0.00 C ATOM 698 NE ARG A 49 9.760 4.023 6.497 1.00 0.00 N ATOM 699 CZ ARG A 49 10.309 4.953 7.271 1.00 0.00 C ATOM 700 NH1 ARG A 49 9.543 5.832 7.902 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.627 5.004 7.415 1.00 0.00 N ATOM 0 H ARG A 49 3.958 5.556 6.155 1.00 0.00 H new ATOM 0 HA ARG A 49 6.280 5.807 7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.832 4.176 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.896 5.444 4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.023 4.564 4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.323 5.857 5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.801 4.030 7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.094 2.888 5.936 1.00 0.00 H new ATOM 0 HE ARG A 49 10.377 3.362 6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.529 5.795 7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.967 6.545 8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.219 4.329 6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.048 5.718 8.009 1.00 0.00 H new ATOM 715 N TYR A 50 6.170 8.160 5.137 1.00 0.00 N ATOM 716 CA TYR A 50 6.745 9.439 4.739 1.00 0.00 C ATOM 717 C TYR A 50 6.024 10.597 5.422 1.00 0.00 C ATOM 718 O TYR A 50 6.652 11.452 6.047 1.00 0.00 O ATOM 719 CB TYR A 50 6.672 9.604 3.220 1.00 0.00 C ATOM 720 CG TYR A 50 7.555 8.638 2.463 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.246 7.285 2.403 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.700 9.078 1.809 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.050 6.398 1.713 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.509 8.199 1.116 1.00 0.00 C ATOM 725 CZ TYR A 50 9.180 6.860 1.071 1.00 0.00 C ATOM 726 OH TYR A 50 9.984 5.981 0.382 1.00 0.00 O ATOM 0 H TYR A 50 5.401 7.842 4.547 1.00 0.00 H new ATOM 0 HA TYR A 50 7.790 9.451 5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.640 9.469 2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.956 10.624 2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.362 6.920 2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.961 10.125 1.843 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.795 5.349 1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.394 8.558 0.612 1.00 0.00 H new ATOM 0 HH TYR A 50 9.498 5.144 0.229 1.00 0.00 H new ATOM 736 N ARG A 51 4.701 10.617 5.300 1.00 0.00 N ATOM 737 CA ARG A 51 3.893 11.669 5.905 1.00 0.00 C ATOM 738 C ARG A 51 2.884 11.082 6.888 1.00 0.00 C ATOM 739 O ARG A 51 1.796 10.645 6.513 1.00 0.00 O ATOM 740 CB ARG A 51 3.162 12.466 4.823 1.00 0.00 C ATOM 741 CG ARG A 51 4.083 13.018 3.747 1.00 0.00 C ATOM 742 CD ARG A 51 3.531 14.302 3.147 1.00 0.00 C ATOM 743 NE ARG A 51 4.258 14.701 1.945 1.00 0.00 N ATOM 744 CZ ARG A 51 5.500 15.172 1.959 1.00 0.00 C ATOM 745 NH1 ARG A 51 6.150 15.303 3.107 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.094 15.514 0.822 1.00 0.00 N ATOM 0 H ARG A 51 4.166 9.916 4.787 1.00 0.00 H new ATOM 0 HA ARG A 51 4.560 12.337 6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.413 11.826 4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.627 13.293 5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.068 13.208 4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.213 12.274 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.477 14.165 2.905 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.587 15.101 3.886 1.00 0.00 H new ATOM 0 HE ARG A 51 3.786 14.613 1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.697 15.042 3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.104 15.665 3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.597 15.415 -0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.048 15.876 0.834 1.00 0.00 H new ATOM 760 N PRO A 52 3.252 11.072 8.178 1.00 0.00 N ATOM 761 CA PRO A 52 2.394 10.542 9.242 1.00 0.00 C ATOM 762 C PRO A 52 1.175 11.422 9.495 1.00 0.00 C ATOM 763 O PRO A 52 0.194 10.982 10.096 1.00 0.00 O ATOM 764 CB PRO A 52 3.311 10.533 10.467 1.00 0.00 C ATOM 765 CG PRO A 52 4.327 11.587 10.187 1.00 0.00 C ATOM 766 CD PRO A 52 4.534 11.577 8.697 1.00 0.00 C ATOM 0 HA PRO A 52 1.990 9.562 8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.755 10.751 11.379 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.779 9.558 10.604 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.980 12.563 10.526 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.259 11.380 10.712 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.757 12.573 8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.365 10.932 8.411 1.00 0.00 H new ATOM 774 N ASP A 53 1.242 12.665 9.033 1.00 0.00 N ATOM 775 CA ASP A 53 0.143 13.607 9.209 1.00 0.00 C ATOM 776 C ASP A 53 -1.053 13.213 8.348 1.00 0.00 C ATOM 777 O ASP A 53 -2.162 13.033 8.852 1.00 0.00 O ATOM 778 CB ASP A 53 0.596 15.025 8.857 1.00 0.00 C ATOM 779 CG ASP A 53 1.272 15.722 10.020 1.00 0.00 C ATOM 780 OD1 ASP A 53 0.555 16.215 10.916 1.00 0.00 O ATOM 781 OD2 ASP A 53 2.520 15.775 10.035 1.00 0.00 O ATOM 0 H ASP A 53 2.046 13.044 8.533 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.161 13.581 10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.284 14.984 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.267 15.610 8.538 1.00 0.00 H new ATOM 786 N LEU A 54 -0.820 13.082 7.046 1.00 0.00 N ATOM 787 CA LEU A 54 -1.879 12.710 6.114 1.00 0.00 C ATOM 788 C LEU A 54 -2.756 11.607 6.697 1.00 0.00 C ATOM 789 O LEU A 54 -3.968 11.774 6.837 1.00 0.00 O ATOM 790 CB LEU A 54 -1.276 12.248 4.785 1.00 0.00 C ATOM 791 CG LEU A 54 -0.239 13.181 4.159 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.167 12.680 2.782 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.780 14.600 4.074 1.00 0.00 C ATOM 0 H LEU A 54 0.092 13.228 6.613 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.500 13.588 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.813 11.273 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.087 12.107 4.070 1.00 0.00 H new ATOM 0 HG LEU A 54 0.646 13.189 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.906 13.357 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.597 11.682 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.710 12.642 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.028 15.250 3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.681 14.610 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.019 14.959 5.075 1.00 0.00 H new ATOM 805 N ILE A 55 -2.136 10.482 7.038 1.00 0.00 N ATOM 806 CA ILE A 55 -2.861 9.354 7.610 1.00 0.00 C ATOM 807 C ILE A 55 -2.311 8.988 8.984 1.00 0.00 C ATOM 808 O ILE A 55 -1.118 9.138 9.247 1.00 0.00 O ATOM 809 CB ILE A 55 -2.790 8.118 6.694 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.846 7.090 7.107 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.399 7.504 6.740 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.336 6.234 5.960 1.00 0.00 C ATOM 0 H ILE A 55 -1.134 10.328 6.928 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.901 9.663 7.709 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.994 8.430 5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.430 6.444 7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.695 7.611 7.550 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.365 6.631 6.088 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.666 8.238 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.168 7.202 7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.082 5.528 6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.782 6.870 5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.497 5.685 5.531 1.00 0.00 H new ATOM 824 N ASP A 56 -3.188 8.504 9.856 1.00 0.00 N ATOM 825 CA ASP A 56 -2.791 8.112 11.203 1.00 0.00 C ATOM 826 C ASP A 56 -2.886 6.600 11.380 1.00 0.00 C ATOM 827 O ASP A 56 -3.980 6.046 11.497 1.00 0.00 O ATOM 828 CB ASP A 56 -3.667 8.816 12.241 1.00 0.00 C ATOM 829 CG ASP A 56 -3.029 8.840 13.616 1.00 0.00 C ATOM 830 OD1 ASP A 56 -2.158 7.984 13.881 1.00 0.00 O ATOM 831 OD2 ASP A 56 -3.401 9.713 14.428 1.00 0.00 O ATOM 0 H ASP A 56 -4.179 8.374 9.654 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.754 8.412 11.351 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.861 9.838 11.916 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.632 8.312 12.300 1.00 0.00 H new ATOM 836 N PHE A 57 -1.735 5.937 11.397 1.00 0.00 N ATOM 837 CA PHE A 57 -1.688 4.488 11.557 1.00 0.00 C ATOM 838 C PHE A 57 -1.888 4.096 13.018 1.00 0.00 C ATOM 839 O PHE A 57 -2.679 3.206 13.330 1.00 0.00 O ATOM 840 CB PHE A 57 -0.354 3.940 11.048 1.00 0.00 C ATOM 841 CG PHE A 57 -0.350 2.450 10.860 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.720 1.891 9.647 1.00 0.00 C ATOM 843 CD2 PHE A 57 0.022 1.609 11.896 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.717 0.520 9.471 1.00 0.00 C ATOM 845 CE2 PHE A 57 0.026 0.237 11.725 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.345 -0.308 10.512 1.00 0.00 C ATOM 0 H PHE A 57 -0.821 6.380 11.302 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.498 4.056 10.969 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.112 4.418 10.099 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.433 4.211 11.751 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.014 2.534 8.830 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.312 2.030 12.848 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.005 0.097 8.520 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.319 -0.408 12.540 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.344 -1.380 10.377 1.00 0.00 H new ATOM 856 N ASP A 58 -1.165 4.767 13.908 1.00 0.00 N ATOM 857 CA ASP A 58 -1.263 4.490 15.337 1.00 0.00 C ATOM 858 C ASP A 58 -2.721 4.431 15.781 1.00 0.00 C ATOM 859 O ASP A 58 -3.091 3.614 16.624 1.00 0.00 O ATOM 860 CB ASP A 58 -0.515 5.557 16.137 1.00 0.00 C ATOM 861 CG ASP A 58 -0.882 5.541 17.608 1.00 0.00 C ATOM 862 OD1 ASP A 58 -0.888 4.445 18.206 1.00 0.00 O ATOM 863 OD2 ASP A 58 -1.165 6.625 18.161 1.00 0.00 O ATOM 0 H ASP A 58 -0.505 5.506 13.666 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.806 3.519 15.526 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.558 5.400 16.032 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.736 6.540 15.721 1.00 0.00 H new ATOM 868 N SER A 59 -3.544 5.305 15.210 1.00 0.00 N ATOM 869 CA SER A 59 -4.961 5.356 15.550 1.00 0.00 C ATOM 870 C SER A 59 -5.714 4.189 14.919 1.00 0.00 C ATOM 871 O SER A 59 -6.452 3.472 15.596 1.00 0.00 O ATOM 872 CB SER A 59 -5.570 6.681 15.088 1.00 0.00 C ATOM 873 OG SER A 59 -6.739 6.990 15.828 1.00 0.00 O ATOM 0 H SER A 59 -3.254 5.987 14.510 1.00 0.00 H new ATOM 0 HA SER A 59 -5.052 5.280 16.634 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.839 7.481 15.205 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.812 6.623 14.027 1.00 0.00 H new ATOM 0 HG SER A 59 -7.108 7.842 15.515 1.00 0.00 H new ATOM 879 N LEU A 60 -5.521 4.003 13.618 1.00 0.00 N ATOM 880 CA LEU A 60 -6.182 2.923 12.893 1.00 0.00 C ATOM 881 C LEU A 60 -6.001 1.592 13.616 1.00 0.00 C ATOM 882 O LEU A 60 -5.208 1.485 14.552 1.00 0.00 O ATOM 883 CB LEU A 60 -5.627 2.823 11.471 1.00 0.00 C ATOM 884 CG LEU A 60 -5.956 3.990 10.539 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.008 4.007 9.350 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.401 3.906 10.069 1.00 0.00 C ATOM 0 H LEU A 60 -4.912 4.586 13.043 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.247 3.148 12.846 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.543 2.727 11.531 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.004 1.906 11.019 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.828 4.920 11.093 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.257 4.844 8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.983 4.115 9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.104 3.074 8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.618 4.744 9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.555 2.970 9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.067 3.943 10.931 1.00 0.00 H new ATOM 898 N ASP A 61 -6.740 0.580 13.175 1.00 0.00 N ATOM 899 CA ASP A 61 -6.660 -0.745 13.778 1.00 0.00 C ATOM 900 C ASP A 61 -6.720 -1.832 12.710 1.00 0.00 C ATOM 901 O ASP A 61 -7.270 -1.624 11.629 1.00 0.00 O ATOM 902 CB ASP A 61 -7.793 -0.940 14.787 1.00 0.00 C ATOM 903 CG ASP A 61 -7.443 -0.404 16.161 1.00 0.00 C ATOM 904 OD1 ASP A 61 -6.660 0.566 16.239 1.00 0.00 O ATOM 905 OD2 ASP A 61 -7.953 -0.954 17.159 1.00 0.00 O ATOM 0 H ASP A 61 -7.401 0.652 12.402 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.705 -0.823 14.298 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.690 -0.440 14.423 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.029 -2.001 14.863 1.00 0.00 H new ATOM 910 N GLU A 62 -6.150 -2.993 13.021 1.00 0.00 N ATOM 911 CA GLU A 62 -6.138 -4.112 12.086 1.00 0.00 C ATOM 912 C GLU A 62 -7.534 -4.709 11.934 1.00 0.00 C ATOM 913 O GLU A 62 -7.932 -5.110 10.841 1.00 0.00 O ATOM 914 CB GLU A 62 -5.159 -5.189 12.558 1.00 0.00 C ATOM 915 CG GLU A 62 -5.452 -5.707 13.956 1.00 0.00 C ATOM 916 CD GLU A 62 -4.603 -6.909 14.323 1.00 0.00 C ATOM 917 OE1 GLU A 62 -4.442 -7.804 13.467 1.00 0.00 O ATOM 918 OE2 GLU A 62 -4.101 -6.954 15.465 1.00 0.00 O ATOM 0 H GLU A 62 -5.691 -3.182 13.912 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.814 -3.738 11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.185 -6.024 11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.147 -4.784 12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.278 -4.910 14.679 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.506 -5.976 14.026 1.00 0.00 H new ATOM 925 N GLN A 63 -8.271 -4.764 13.039 1.00 0.00 N ATOM 926 CA GLN A 63 -9.622 -5.313 13.029 1.00 0.00 C ATOM 927 C GLN A 63 -10.491 -4.602 11.997 1.00 0.00 C ATOM 928 O GLN A 63 -11.396 -5.199 11.417 1.00 0.00 O ATOM 929 CB GLN A 63 -10.254 -5.192 14.416 1.00 0.00 C ATOM 930 CG GLN A 63 -10.310 -3.765 14.937 1.00 0.00 C ATOM 931 CD GLN A 63 -11.271 -3.605 16.099 1.00 0.00 C ATOM 932 OE1 GLN A 63 -12.474 -3.425 15.904 1.00 0.00 O ATOM 933 NE2 GLN A 63 -10.745 -3.670 17.316 1.00 0.00 N ATOM 0 H GLN A 63 -7.956 -4.435 13.952 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.557 -6.367 12.758 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -11.265 -5.597 14.382 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.689 -5.804 15.118 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.312 -3.457 15.251 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.610 -3.098 14.128 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.743 -3.821 17.431 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.343 -3.569 18.136 1.00 0.00 H new ATOM 942 N ASN A 64 -10.209 -3.322 11.774 1.00 0.00 N ATOM 943 CA ASN A 64 -10.966 -2.529 10.812 1.00 0.00 C ATOM 944 C ASN A 64 -10.344 -2.621 9.422 1.00 0.00 C ATOM 945 O ASN A 64 -9.221 -2.168 9.201 1.00 0.00 O ATOM 946 CB ASN A 64 -11.026 -1.068 11.260 1.00 0.00 C ATOM 947 CG ASN A 64 -11.349 -0.928 12.736 1.00 0.00 C ATOM 948 OD1 ASN A 64 -12.121 -1.711 13.290 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.759 0.073 13.378 1.00 0.00 N ATOM 0 H ASN A 64 -9.462 -2.812 12.246 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.979 -2.930 10.765 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.070 -0.588 11.053 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.780 -0.542 10.674 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.938 0.218 14.372 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.126 0.697 12.878 1.00 0.00 H new ATOM 956 N VAL A 65 -11.083 -3.210 8.487 1.00 0.00 N ATOM 957 CA VAL A 65 -10.605 -3.361 7.118 1.00 0.00 C ATOM 958 C VAL A 65 -11.221 -2.308 6.203 1.00 0.00 C ATOM 959 O VAL A 65 -10.530 -1.412 5.719 1.00 0.00 O ATOM 960 CB VAL A 65 -10.928 -4.760 6.561 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.472 -4.878 5.115 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.283 -5.837 7.421 1.00 0.00 C ATOM 0 H VAL A 65 -12.015 -3.590 8.653 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.523 -3.230 7.144 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.008 -4.902 6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.709 -5.873 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.984 -4.130 4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.396 -4.715 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.521 -6.819 7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.202 -5.699 7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.663 -5.765 8.440 1.00 0.00 H new ATOM 972 N GLU A 66 -12.525 -2.423 5.970 1.00 0.00 N ATOM 973 CA GLU A 66 -13.233 -1.480 5.112 1.00 0.00 C ATOM 974 C GLU A 66 -12.835 -0.043 5.438 1.00 0.00 C ATOM 975 O GLU A 66 -12.760 0.809 4.553 1.00 0.00 O ATOM 976 CB GLU A 66 -14.745 -1.650 5.269 1.00 0.00 C ATOM 977 CG GLU A 66 -15.557 -0.807 4.300 1.00 0.00 C ATOM 978 CD GLU A 66 -17.034 -0.783 4.643 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.712 -1.806 4.414 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.510 0.259 5.140 1.00 0.00 O ATOM 0 H GLU A 66 -13.112 -3.159 6.363 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.956 -1.690 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.001 -2.700 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.027 -1.389 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.171 0.212 4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.429 -1.196 3.290 1.00 0.00 H new ATOM 987 N LYS A 67 -12.582 0.219 6.716 1.00 0.00 N ATOM 988 CA LYS A 67 -12.192 1.551 7.162 1.00 0.00 C ATOM 989 C LYS A 67 -10.824 1.932 6.604 1.00 0.00 C ATOM 990 O LYS A 67 -10.725 2.728 5.670 1.00 0.00 O ATOM 991 CB LYS A 67 -12.166 1.613 8.691 1.00 0.00 C ATOM 992 CG LYS A 67 -13.463 2.114 9.301 1.00 0.00 C ATOM 993 CD LYS A 67 -14.453 0.981 9.515 1.00 0.00 C ATOM 994 CE LYS A 67 -15.840 1.509 9.847 1.00 0.00 C ATOM 995 NZ LYS A 67 -16.910 0.571 9.409 1.00 0.00 N ATOM 0 H LYS A 67 -12.640 -0.475 7.462 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.929 2.262 6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.950 0.619 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.351 2.264 9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.254 2.600 10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.906 2.867 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.502 0.365 8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.104 0.339 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.918 1.673 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.985 2.476 9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.840 0.967 9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.852 0.434 8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.787 -0.344 9.888 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.774 1.359 7.181 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.412 1.638 6.740 1.00 0.00 C ATOM 1011 C ASN A 68 -8.363 1.855 5.230 1.00 0.00 C ATOM 1012 O ASN A 68 -7.723 2.789 4.748 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.481 0.489 7.132 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.948 0.633 8.544 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.861 1.171 8.757 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.712 0.151 9.517 1.00 0.00 N ATOM 0 H ASN A 68 -9.839 0.698 7.955 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.077 2.551 7.232 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.017 -0.456 7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.645 0.448 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.405 0.219 10.487 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.606 -0.287 9.294 1.00 0.00 H new ATOM 1023 N ASN A 69 -9.043 0.986 4.491 1.00 0.00 N ATOM 1024 CA ASN A 69 -9.078 1.083 3.036 1.00 0.00 C ATOM 1025 C ASN A 69 -9.737 2.385 2.592 1.00 0.00 C ATOM 1026 O ASN A 69 -9.108 3.220 1.942 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.829 -0.110 2.442 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.964 -1.353 2.352 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -8.114 -1.468 1.469 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.177 -2.289 3.269 1.00 0.00 N ATOM 0 H ASN A 69 -9.577 0.207 4.875 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.050 1.075 2.672 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.706 -0.325 3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.190 0.151 1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.625 -3.147 3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.893 -2.150 3.982 1.00 0.00 H new ATOM 1037 N GLN A 70 -11.007 2.551 2.949 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.751 3.751 2.588 1.00 0.00 C ATOM 1039 C GLN A 70 -10.924 5.005 2.853 1.00 0.00 C ATOM 1040 O GLN A 70 -10.901 5.930 2.041 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.064 3.817 3.369 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.983 4.942 2.921 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.531 4.727 1.524 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.616 4.171 1.350 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.783 5.166 0.520 1.00 0.00 N ATOM 0 H GLN A 70 -11.541 1.869 3.488 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.973 3.703 1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.588 2.867 3.263 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.841 3.942 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.812 5.030 3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.438 5.885 2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.890 5.621 0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.101 5.048 -0.442 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.245 5.029 3.995 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.417 6.170 4.369 1.00 0.00 C ATOM 1056 C LEU A 71 -8.344 6.431 3.316 1.00 0.00 C ATOM 1057 O LEU A 71 -8.389 7.434 2.605 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.763 5.927 5.730 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.067 7.131 6.365 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.008 8.324 6.421 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.562 6.782 7.758 1.00 0.00 C ATOM 0 H LEU A 71 -10.252 4.271 4.678 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.059 7.048 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.528 5.570 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.032 5.126 5.622 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.211 7.399 5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.495 9.171 6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.320 8.589 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.885 8.068 7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.069 7.651 8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.402 6.487 8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.852 5.958 7.692 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.380 5.521 3.223 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.298 5.650 2.255 1.00 0.00 C ATOM 1075 C ALA A 72 -6.832 6.054 0.885 1.00 0.00 C ATOM 1076 O ALA A 72 -6.423 7.070 0.323 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.519 4.347 2.157 1.00 0.00 C ATOM 0 H ALA A 72 -7.326 4.686 3.807 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.627 6.436 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.714 4.458 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.097 4.101 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.187 3.547 1.839 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.748 5.252 0.352 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.337 5.525 -0.953 1.00 0.00 C ATOM 1085 C PHE A 73 -8.743 6.991 -1.071 1.00 0.00 C ATOM 1086 O PHE A 73 -8.817 7.539 -2.170 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.554 4.627 -1.185 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.198 3.195 -1.464 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.188 2.880 -2.359 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.873 2.163 -0.831 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.859 1.563 -2.618 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.548 0.844 -1.086 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.539 0.544 -1.980 1.00 0.00 C ATOM 0 H PHE A 73 -8.098 4.408 0.804 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.586 5.312 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.199 4.668 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.131 5.019 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.652 3.673 -2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.662 2.392 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.071 1.331 -3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.082 0.049 -0.587 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.282 -0.486 -2.180 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.005 7.619 0.070 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.403 9.022 0.097 1.00 0.00 C ATOM 1105 C ASP A 74 -8.194 9.926 0.313 1.00 0.00 C ATOM 1106 O ASP A 74 -7.870 10.759 -0.534 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.437 9.260 1.198 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.358 10.423 0.886 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.578 10.701 -0.311 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -11.860 11.054 1.840 1.00 0.00 O ATOM 0 H ASP A 74 -8.949 7.179 0.988 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.848 9.266 -0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.031 8.357 1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.923 9.450 2.140 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.531 9.756 1.452 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.358 10.557 1.779 1.00 0.00 C ATOM 1117 C ILE A 75 -5.378 10.598 0.611 1.00 0.00 C ATOM 1118 O ILE A 75 -4.904 11.666 0.223 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.633 10.011 3.024 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.588 9.966 4.218 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.415 10.865 3.344 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.098 11.328 4.635 1.00 0.00 C ATOM 0 H ILE A 75 -7.786 9.071 2.163 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.713 11.566 1.988 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.296 8.996 2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.437 9.329 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.079 9.503 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.913 10.467 4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.728 10.850 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.730 11.890 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.770 11.220 5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.256 11.962 4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.636 11.785 3.804 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.079 9.429 0.055 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.159 9.332 -1.071 1.00 0.00 C ATOM 1136 C ALA A 76 -4.498 10.358 -2.147 1.00 0.00 C ATOM 1137 O ALA A 76 -3.776 11.338 -2.333 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.183 7.927 -1.654 1.00 0.00 C ATOM 0 H ALA A 76 -5.461 8.536 0.366 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.154 9.545 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.491 7.870 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.885 7.210 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.191 7.693 -1.997 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.600 10.126 -2.854 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.032 11.031 -3.913 1.00 0.00 C ATOM 1146 C GLU A 77 -6.100 12.469 -3.405 1.00 0.00 C ATOM 1147 O GLU A 77 -5.782 13.411 -4.131 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.398 10.604 -4.453 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.727 11.195 -5.813 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.220 11.310 -6.054 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -9.968 11.491 -5.071 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -9.639 11.218 -7.227 1.00 0.00 O ATOM 0 H GLU A 77 -6.209 9.320 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.300 10.983 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.428 9.517 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.169 10.900 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.272 12.182 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.284 10.574 -6.592 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.518 12.629 -2.154 1.00 0.00 N ATOM 1160 CA LYS A 78 -6.628 13.951 -1.548 1.00 0.00 C ATOM 1161 C LYS A 78 -5.285 14.674 -1.570 1.00 0.00 C ATOM 1162 O LYS A 78 -5.205 15.841 -1.952 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.132 13.833 -0.107 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.645 13.882 0.014 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.085 13.972 1.465 1.00 0.00 C ATOM 1166 CE LYS A 78 -10.582 14.222 1.579 1.00 0.00 C ATOM 1167 NZ LYS A 78 -10.955 14.748 2.921 1.00 0.00 N ATOM 0 H LYS A 78 -6.786 11.860 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.343 14.532 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.772 12.897 0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.702 14.640 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.027 14.741 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.077 12.992 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.829 13.047 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.542 14.776 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.891 14.932 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.121 13.294 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.982 14.905 2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.683 14.060 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.461 15.647 3.091 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.233 13.972 -1.160 1.00 0.00 N ATOM 1182 CA GLU A 79 -2.894 14.548 -1.134 1.00 0.00 C ATOM 1183 C GLU A 79 -2.028 13.961 -2.245 1.00 0.00 C ATOM 1184 O GLU A 79 -1.692 14.645 -3.213 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.235 14.303 0.224 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.046 14.827 1.398 1.00 0.00 C ATOM 1187 CD GLU A 79 -2.781 16.292 1.683 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -1.697 16.783 1.302 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -3.655 16.948 2.286 1.00 0.00 O ATOM 0 H GLU A 79 -4.282 13.004 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.985 15.622 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.075 13.233 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.253 14.775 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.107 14.687 1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.813 14.240 2.286 1.00 0.00 H new ATOM 1196 N LEU A 80 -1.669 12.691 -2.098 1.00 0.00 N ATOM 1197 CA LEU A 80 -0.841 12.010 -3.088 1.00 0.00 C ATOM 1198 C LEU A 80 -1.368 12.253 -4.499 1.00 0.00 C ATOM 1199 O LEU A 80 -0.600 12.312 -5.458 1.00 0.00 O ATOM 1200 CB LEU A 80 -0.797 10.509 -2.799 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.339 10.108 -1.396 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.054 8.616 -1.334 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.891 10.906 -0.989 1.00 0.00 C ATOM 0 H LEU A 80 -1.938 12.111 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 80 0.168 12.416 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.793 10.098 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.133 10.039 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.142 10.333 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.271 8.349 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.959 8.062 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.731 8.366 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.203 10.608 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.700 10.713 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.652 11.970 -0.993 1.00 0.00 H new ATOM 1215 N GLY A 81 -2.685 12.396 -4.616 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.292 12.633 -5.913 1.00 0.00 C ATOM 1217 C GLY A 81 -3.519 11.351 -6.690 1.00 0.00 C ATOM 1218 O GLY A 81 -3.872 11.387 -7.869 1.00 0.00 O ATOM 0 H GLY A 81 -3.342 12.352 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.245 13.145 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.653 13.298 -6.494 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.313 10.217 -6.030 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.497 8.919 -6.668 1.00 0.00 C ATOM 1224 C ILE A 82 -4.947 8.457 -6.566 1.00 0.00 C ATOM 1225 O ILE A 82 -5.434 8.140 -5.481 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.584 7.849 -6.040 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.114 8.234 -6.217 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.859 6.488 -6.660 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.167 7.403 -5.381 1.00 0.00 C ATOM 0 H ILE A 82 -3.019 10.170 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.230 9.042 -7.718 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.799 7.790 -4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.844 8.131 -7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.988 9.285 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.206 5.743 -6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.899 6.213 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.669 6.532 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.857 7.731 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.411 7.525 -4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.264 6.353 -5.657 1.00 0.00 H new ATOM 1241 N SER A 83 -5.631 8.420 -7.705 1.00 0.00 N ATOM 1242 CA SER A 83 -7.027 7.998 -7.745 1.00 0.00 C ATOM 1243 C SER A 83 -7.157 6.518 -7.398 1.00 0.00 C ATOM 1244 O SER A 83 -6.457 5.663 -7.942 1.00 0.00 O ATOM 1245 CB SER A 83 -7.622 8.264 -9.129 1.00 0.00 C ATOM 1246 OG SER A 83 -7.595 9.646 -9.439 1.00 0.00 O ATOM 0 H SER A 83 -5.242 8.677 -8.612 1.00 0.00 H new ATOM 0 HA SER A 83 -7.578 8.577 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.063 7.708 -9.882 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.649 7.901 -9.163 1.00 0.00 H new ATOM 0 HG SER A 83 -7.979 9.789 -10.329 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.075 6.207 -6.471 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.320 4.830 -6.031 1.00 0.00 C ATOM 1254 C PRO A 84 -8.984 3.985 -7.112 1.00 0.00 C ATOM 1255 O PRO A 84 -9.902 4.441 -7.794 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.260 5.003 -4.835 1.00 0.00 C ATOM 1257 CG PRO A 84 -9.946 6.303 -5.077 1.00 0.00 C ATOM 1258 CD PRO A 84 -8.944 7.175 -5.782 1.00 0.00 C ATOM 0 HA PRO A 84 -7.394 4.308 -5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.976 4.183 -4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.707 5.016 -3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.840 6.165 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.266 6.756 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.426 7.854 -6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.382 7.791 -5.079 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.513 2.752 -7.264 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.063 1.843 -8.263 1.00 0.00 C ATOM 1268 C ILE A 85 -10.264 1.082 -7.711 1.00 0.00 C ATOM 1269 O ILE A 85 -11.118 0.619 -8.467 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.006 0.831 -8.745 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.418 0.068 -7.557 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -6.908 1.543 -9.521 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.775 -1.246 -7.941 1.00 0.00 C ATOM 0 H ILE A 85 -7.753 2.359 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.380 2.455 -9.107 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.488 0.113 -9.409 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.676 0.696 -7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.208 -0.122 -6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.168 0.815 -9.855 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.341 2.044 -10.387 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.427 2.280 -8.878 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.380 -1.732 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.519 -1.892 -8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.963 -1.062 -8.644 1.00 0.00 H new ATOM 1285 N MET A 86 -10.323 0.958 -6.389 1.00 0.00 N ATOM 1286 CA MET A 86 -11.422 0.256 -5.736 1.00 0.00 C ATOM 1287 C MET A 86 -11.899 1.019 -4.505 1.00 0.00 C ATOM 1288 O MET A 86 -11.255 1.972 -4.063 1.00 0.00 O ATOM 1289 CB MET A 86 -10.988 -1.156 -5.339 1.00 0.00 C ATOM 1290 CG MET A 86 -10.658 -2.047 -6.525 1.00 0.00 C ATOM 1291 SD MET A 86 -10.592 -3.794 -6.085 1.00 0.00 S ATOM 1292 CE MET A 86 -8.896 -3.939 -5.527 1.00 0.00 C ATOM 0 H MET A 86 -9.623 1.334 -5.749 1.00 0.00 H new ATOM 0 HA MET A 86 -12.249 0.189 -6.443 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.114 -1.090 -4.691 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.783 -1.621 -4.756 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.407 -1.901 -7.304 1.00 0.00 H new ATOM 0 HG3 MET A 86 -9.698 -1.746 -6.945 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.825 -4.730 -4.780 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.254 -4.181 -6.374 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.576 -2.995 -5.087 1.00 0.00 H new ATOM 1302 N THR A 87 -13.033 0.596 -3.954 1.00 0.00 N ATOM 1303 CA THR A 87 -13.597 1.240 -2.775 1.00 0.00 C ATOM 1304 C THR A 87 -13.507 0.331 -1.555 1.00 0.00 C ATOM 1305 O THR A 87 -13.609 -0.890 -1.670 1.00 0.00 O ATOM 1306 CB THR A 87 -15.070 1.633 -3.000 1.00 0.00 C ATOM 1307 OG1 THR A 87 -15.819 0.495 -3.438 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.181 2.747 -4.031 1.00 0.00 C ATOM 0 H THR A 87 -13.579 -0.190 -4.306 1.00 0.00 H new ATOM 0 HA THR A 87 -13.011 2.141 -2.597 1.00 0.00 H new ATOM 0 HB THR A 87 -15.476 1.992 -2.054 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.754 0.753 -3.577 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.230 3.008 -4.173 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.634 3.622 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 87 -14.759 2.410 -4.978 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.315 0.934 -0.386 1.00 0.00 N ATOM 1317 CA GLY A 88 -13.215 0.163 0.839 1.00 0.00 C ATOM 1318 C GLY A 88 -14.209 -0.980 0.888 1.00 0.00 C ATOM 1319 O GLY A 88 -13.852 -2.111 1.220 1.00 0.00 O ATOM 0 H GLY A 88 -13.227 1.943 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.204 -0.234 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.380 0.820 1.693 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.462 -0.686 0.558 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.513 -1.697 0.565 1.00 0.00 C ATOM 1325 C LYS A 89 -16.191 -2.824 -0.410 1.00 0.00 C ATOM 1326 O LYS A 89 -16.088 -3.986 -0.018 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.860 -1.065 0.204 1.00 0.00 C ATOM 1328 CG LYS A 89 -19.053 -1.805 0.783 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.516 -2.923 -0.137 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.312 -2.383 -1.315 1.00 0.00 C ATOM 1331 NZ LYS A 89 -21.739 -2.151 -0.960 1.00 0.00 N ATOM 0 H LYS A 89 -15.775 0.245 0.282 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.572 -2.116 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.875 -0.034 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.956 -1.030 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.788 -2.219 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.872 -1.105 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.651 -3.475 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.129 -3.628 0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.866 -1.449 -1.657 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.254 -3.087 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.248 -1.783 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.172 -3.047 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.796 -1.460 -0.185 1.00 0.00 H new ATOM 1345 N GLU A 90 -16.030 -2.473 -1.682 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.718 -3.456 -2.713 1.00 0.00 C ATOM 1347 C GLU A 90 -14.504 -4.292 -2.318 1.00 0.00 C ATOM 1348 O GLU A 90 -14.402 -5.465 -2.675 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.459 -2.761 -4.051 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.722 -2.490 -4.851 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.179 -3.697 -5.647 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.701 -3.869 -6.788 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -18.014 -4.468 -5.131 1.00 0.00 O ATOM 0 H GLU A 90 -16.110 -1.515 -2.023 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.576 -4.120 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.946 -1.817 -3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.787 -3.378 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.519 -2.184 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.545 -1.657 -5.531 1.00 0.00 H new ATOM 1360 N MET A 91 -13.586 -3.678 -1.578 1.00 0.00 N ATOM 1361 CA MET A 91 -12.379 -4.365 -1.134 1.00 0.00 C ATOM 1362 C MET A 91 -12.710 -5.423 -0.087 1.00 0.00 C ATOM 1363 O MET A 91 -12.179 -6.533 -0.123 1.00 0.00 O ATOM 1364 CB MET A 91 -11.376 -3.361 -0.562 1.00 0.00 C ATOM 1365 CG MET A 91 -10.105 -4.005 -0.033 1.00 0.00 C ATOM 1366 SD MET A 91 -9.151 -4.822 -1.326 1.00 0.00 S ATOM 1367 CE MET A 91 -7.642 -3.858 -1.293 1.00 0.00 C ATOM 0 H MET A 91 -13.655 -2.707 -1.274 1.00 0.00 H new ATOM 0 HA MET A 91 -11.934 -4.860 -1.997 1.00 0.00 H new ATOM 0 HB2 MET A 91 -11.113 -2.641 -1.337 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.853 -2.802 0.243 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.487 -3.243 0.443 1.00 0.00 H new ATOM 0 HG3 MET A 91 -10.364 -4.732 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.841 -4.420 -1.772 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.797 -2.921 -1.827 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.368 -3.646 -0.259 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.590 -5.072 0.845 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.992 -5.993 1.901 1.00 0.00 C ATOM 1379 C ALA A 92 -14.953 -7.051 1.370 1.00 0.00 C ATOM 1380 O ALA A 92 -15.164 -8.085 2.003 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.629 -5.229 3.053 1.00 0.00 C ATOM 0 H ALA A 92 -14.038 -4.157 0.890 1.00 0.00 H new ATOM 0 HA ALA A 92 -13.099 -6.501 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.924 -5.929 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.911 -4.515 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.508 -4.695 2.693 1.00 0.00 H new ATOM 1387 N SER A 93 -15.534 -6.784 0.205 1.00 0.00 N ATOM 1388 CA SER A 93 -16.477 -7.712 -0.409 1.00 0.00 C ATOM 1389 C SER A 93 -15.747 -8.742 -1.265 1.00 0.00 C ATOM 1390 O SER A 93 -16.031 -9.938 -1.197 1.00 0.00 O ATOM 1391 CB SER A 93 -17.492 -6.950 -1.263 1.00 0.00 C ATOM 1392 OG SER A 93 -18.572 -6.481 -0.474 1.00 0.00 O ATOM 0 H SER A 93 -15.369 -5.933 -0.333 1.00 0.00 H new ATOM 0 HA SER A 93 -17.004 -8.236 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.002 -6.108 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.869 -7.600 -2.052 1.00 0.00 H new ATOM 0 HG SER A 93 -19.206 -5.996 -1.042 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.802 -8.268 -2.072 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.029 -9.147 -2.942 1.00 0.00 C ATOM 1400 C VAL A 94 -13.225 -10.156 -2.129 1.00 0.00 C ATOM 1401 O VAL A 94 -12.688 -9.830 -1.072 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.068 -8.344 -3.839 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -11.923 -7.772 -3.017 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.540 -9.216 -4.968 1.00 0.00 C ATOM 0 H VAL A 94 -14.554 -7.281 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.743 -9.678 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.619 -7.513 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.254 -7.208 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.322 -7.112 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.371 -8.586 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.863 -8.633 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.005 -10.068 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.374 -9.573 -5.573 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.146 -11.384 -2.633 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.405 -12.422 -1.941 1.00 0.00 C ATOM 1416 C GLY A 95 -10.905 -12.257 -2.083 1.00 0.00 C ATOM 1417 O GLY A 95 -10.145 -12.645 -1.197 1.00 0.00 O ATOM 0 H GLY A 95 -13.582 -11.678 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.670 -12.410 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.699 -13.396 -2.332 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.478 -11.681 -3.202 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.058 -11.468 -3.458 1.00 0.00 C ATOM 1423 C GLU A 96 -8.853 -10.568 -4.673 1.00 0.00 C ATOM 1424 O GLU A 96 -9.430 -10.781 -5.739 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.350 -12.807 -3.676 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.835 -12.711 -3.618 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.160 -14.066 -3.711 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.352 -14.755 -4.734 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.441 -14.437 -2.760 1.00 0.00 O ATOM 0 H GLU A 96 -11.095 -11.354 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.628 -10.975 -2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.690 -13.515 -2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.643 -13.210 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.483 -12.078 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.541 -12.226 -2.687 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.011 -9.537 -4.509 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.709 -8.584 -5.581 1.00 0.00 C ATOM 1438 C PRO A 97 -6.881 -9.210 -6.698 1.00 0.00 C ATOM 1439 O PRO A 97 -6.298 -10.281 -6.526 1.00 0.00 O ATOM 1440 CB PRO A 97 -6.907 -7.491 -4.869 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.299 -8.174 -3.693 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.288 -9.223 -3.266 1.00 0.00 C ATOM 0 HA PRO A 97 -8.613 -8.220 -6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.142 -7.072 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.549 -6.666 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.342 -8.624 -3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.108 -7.466 -2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.790 -10.102 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.960 -8.850 -2.493 1.00 0.00 H new ATOM 1450 N ASP A 98 -6.832 -8.536 -7.842 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.074 -9.026 -8.987 1.00 0.00 C ATOM 1452 C ASP A 98 -4.642 -8.500 -8.955 1.00 0.00 C ATOM 1453 O ASP A 98 -4.413 -7.300 -8.797 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.754 -8.610 -10.292 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.261 -9.409 -11.482 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -6.258 -10.656 -11.400 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -5.878 -8.788 -12.495 1.00 0.00 O ATOM 0 H ASP A 98 -7.309 -7.648 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.044 -10.114 -8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.832 -8.738 -10.193 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.574 -7.550 -10.470 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.681 -9.405 -9.105 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.271 -9.034 -9.094 1.00 0.00 C ATOM 1464 C LYS A 99 -2.024 -7.809 -9.969 1.00 0.00 C ATOM 1465 O LYS A 99 -1.568 -6.771 -9.487 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.411 -10.203 -9.580 1.00 0.00 C ATOM 1467 CG LYS A 99 0.081 -9.959 -9.441 1.00 0.00 C ATOM 1468 CD LYS A 99 0.524 -10.026 -7.989 1.00 0.00 C ATOM 1469 CE LYS A 99 0.926 -11.439 -7.594 1.00 0.00 C ATOM 1470 NZ LYS A 99 1.151 -11.561 -6.127 1.00 0.00 N ATOM 0 H LYS A 99 -3.853 -10.402 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.994 -8.788 -8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.678 -11.098 -9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.642 -10.403 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.628 -10.700 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.331 -8.982 -9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.365 -9.350 -7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.285 -9.683 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.148 -12.138 -7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.835 -11.720 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.423 -12.538 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.911 -10.913 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.276 -11.317 -5.620 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.329 -7.935 -11.255 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.142 -6.838 -12.198 1.00 0.00 C ATOM 1486 C LEU A 100 -2.718 -5.539 -11.642 1.00 0.00 C ATOM 1487 O LEU A 100 -1.983 -4.595 -11.355 1.00 0.00 O ATOM 1488 CB LEU A 100 -2.802 -7.170 -13.537 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.070 -8.190 -14.411 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -2.945 -8.617 -15.579 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -0.753 -7.615 -14.911 1.00 0.00 C ATOM 0 H LEU A 100 -2.707 -8.787 -11.669 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.071 -6.703 -12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.807 -7.544 -13.341 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.911 -6.246 -14.105 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.853 -9.070 -13.806 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.408 -9.343 -16.190 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.862 -9.069 -15.201 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.193 -7.746 -16.185 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.245 -8.354 -15.531 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.948 -6.719 -15.500 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.121 -7.360 -14.060 1.00 0.00 H new ATOM 1503 N SER A 101 -4.038 -5.500 -11.493 1.00 0.00 N ATOM 1504 CA SER A 101 -4.714 -4.317 -10.973 1.00 0.00 C ATOM 1505 C SER A 101 -3.970 -3.752 -9.767 1.00 0.00 C ATOM 1506 O SER A 101 -3.591 -2.581 -9.750 1.00 0.00 O ATOM 1507 CB SER A 101 -6.155 -4.655 -10.585 1.00 0.00 C ATOM 1508 OG SER A 101 -6.876 -5.162 -11.695 1.00 0.00 O ATOM 0 H SER A 101 -4.661 -6.274 -11.725 1.00 0.00 H new ATOM 0 HA SER A 101 -4.725 -3.561 -11.758 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.155 -5.390 -9.780 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.651 -3.763 -10.202 1.00 0.00 H new ATOM 0 HG SER A 101 -7.793 -5.372 -11.421 1.00 0.00 H new ATOM 1514 N MET A 102 -3.764 -4.594 -8.759 1.00 0.00 N ATOM 1515 CA MET A 102 -3.065 -4.180 -7.549 1.00 0.00 C ATOM 1516 C MET A 102 -1.726 -3.533 -7.889 1.00 0.00 C ATOM 1517 O MET A 102 -1.511 -2.350 -7.622 1.00 0.00 O ATOM 1518 CB MET A 102 -2.844 -5.379 -6.625 1.00 0.00 C ATOM 1519 CG MET A 102 -4.116 -5.870 -5.952 1.00 0.00 C ATOM 1520 SD MET A 102 -4.936 -4.581 -4.994 1.00 0.00 S ATOM 1521 CE MET A 102 -3.638 -4.139 -3.841 1.00 0.00 C ATOM 0 H MET A 102 -4.071 -5.567 -8.757 1.00 0.00 H new ATOM 0 HA MET A 102 -3.685 -3.445 -7.036 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.409 -6.196 -7.201 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.118 -5.108 -5.858 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.802 -6.246 -6.711 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.876 -6.707 -5.297 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.069 -3.603 -2.995 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.145 -5.043 -3.484 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.909 -3.501 -4.341 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.828 -4.315 -8.480 1.00 0.00 N ATOM 1532 CA VAL A 103 0.489 -3.818 -8.857 1.00 0.00 C ATOM 1533 C VAL A 103 0.387 -2.469 -9.560 1.00 0.00 C ATOM 1534 O VAL A 103 1.058 -1.509 -9.182 1.00 0.00 O ATOM 1535 CB VAL A 103 1.220 -4.811 -9.780 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.546 -4.230 -10.247 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.432 -6.141 -9.071 1.00 0.00 C ATOM 0 H VAL A 103 -0.989 -5.296 -8.708 1.00 0.00 H new ATOM 0 HA VAL A 103 1.059 -3.702 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 103 0.599 -4.988 -10.658 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.048 -4.946 -10.898 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.365 -3.306 -10.795 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.177 -4.022 -9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.950 -6.830 -9.738 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.032 -5.984 -8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.466 -6.563 -8.792 1.00 0.00 H new ATOM 1547 N MET A 104 -0.458 -2.404 -10.584 1.00 0.00 N ATOM 1548 CA MET A 104 -0.649 -1.171 -11.338 1.00 0.00 C ATOM 1549 C MET A 104 -0.985 -0.010 -10.407 1.00 0.00 C ATOM 1550 O MET A 104 -0.300 1.013 -10.404 1.00 0.00 O ATOM 1551 CB MET A 104 -1.762 -1.348 -12.373 1.00 0.00 C ATOM 1552 CG MET A 104 -1.384 -2.272 -13.520 1.00 0.00 C ATOM 1553 SD MET A 104 -2.289 -1.903 -15.035 1.00 0.00 S ATOM 1554 CE MET A 104 -2.168 -3.471 -15.892 1.00 0.00 C ATOM 0 H MET A 104 -1.021 -3.190 -10.910 1.00 0.00 H new ATOM 0 HA MET A 104 0.284 -0.942 -11.853 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.649 -1.742 -11.877 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.030 -0.372 -12.777 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.314 -2.189 -13.711 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.577 -3.304 -13.228 1.00 0.00 H new ATOM 0 HE1 MET A 104 -2.682 -3.402 -16.851 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.119 -3.714 -16.059 1.00 0.00 H new ATOM 0 HE3 MET A 104 -2.630 -4.252 -15.288 1.00 0.00 H new ATOM 1564 N TYR A 105 -2.042 -0.176 -9.620 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.470 0.860 -8.687 1.00 0.00 C ATOM 1566 C TYR A 105 -1.341 1.229 -7.728 1.00 0.00 C ATOM 1567 O TYR A 105 -0.917 2.384 -7.665 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.692 0.390 -7.896 1.00 0.00 C ATOM 1569 CG TYR A 105 -4.170 1.391 -6.869 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.425 2.710 -7.222 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -4.369 1.017 -5.546 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.862 3.628 -6.287 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.806 1.928 -4.604 1.00 0.00 C ATOM 1574 CZ TYR A 105 -5.051 3.232 -4.979 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.487 4.144 -4.045 1.00 0.00 O ATOM 0 H TYR A 105 -2.618 -1.018 -9.609 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.737 1.745 -9.264 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.505 0.179 -8.591 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.451 -0.547 -7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.279 3.023 -8.245 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.179 -0.004 -5.249 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.055 4.650 -6.578 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.955 1.621 -3.579 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.715 4.538 -3.587 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.859 0.240 -6.984 1.00 0.00 N ATOM 1586 CA LEU A 106 0.221 0.459 -6.028 1.00 0.00 C ATOM 1587 C LEU A 106 1.359 1.251 -6.664 1.00 0.00 C ATOM 1588 O LEU A 106 1.837 2.236 -6.099 1.00 0.00 O ATOM 1589 CB LEU A 106 0.746 -0.880 -5.507 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.271 -1.764 -4.783 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.199 -3.210 -4.761 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.506 -1.256 -3.368 1.00 0.00 C ATOM 0 H LEU A 106 -1.199 -0.721 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.177 1.036 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.151 -1.441 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.575 -0.683 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.215 -1.719 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.537 -3.824 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.316 -3.570 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.155 -3.274 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.232 -1.896 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.433 -1.271 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.888 -0.236 -3.406 1.00 0.00 H new ATOM 1604 N THR A 107 1.788 0.817 -7.845 1.00 0.00 N ATOM 1605 CA THR A 107 2.868 1.486 -8.559 1.00 0.00 C ATOM 1606 C THR A 107 2.836 2.991 -8.320 1.00 0.00 C ATOM 1607 O THR A 107 3.854 3.598 -7.988 1.00 0.00 O ATOM 1608 CB THR A 107 2.792 1.216 -10.073 1.00 0.00 C ATOM 1609 OG1 THR A 107 2.921 -0.187 -10.328 1.00 0.00 O ATOM 1610 CG2 THR A 107 3.885 1.973 -10.813 1.00 0.00 C ATOM 0 H THR A 107 1.404 0.005 -8.327 1.00 0.00 H new ATOM 0 HA THR A 107 3.802 1.080 -8.172 1.00 0.00 H new ATOM 0 HB THR A 107 1.823 1.563 -10.433 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.076 -0.637 -10.119 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.811 1.767 -11.881 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.767 3.043 -10.641 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.861 1.652 -10.448 1.00 0.00 H new ATOM 1618 N GLN A 108 1.660 3.588 -8.491 1.00 0.00 N ATOM 1619 CA GLN A 108 1.497 5.023 -8.293 1.00 0.00 C ATOM 1620 C GLN A 108 2.131 5.468 -6.980 1.00 0.00 C ATOM 1621 O GLN A 108 2.855 6.462 -6.934 1.00 0.00 O ATOM 1622 CB GLN A 108 0.013 5.395 -8.308 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.678 5.090 -9.628 1.00 0.00 C ATOM 1624 CD GLN A 108 -2.123 5.545 -9.649 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.413 6.720 -9.874 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -3.041 4.614 -9.414 1.00 0.00 N ATOM 0 H GLN A 108 0.807 3.100 -8.766 1.00 0.00 H new ATOM 0 HA GLN A 108 2.002 5.537 -9.111 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.496 4.857 -7.508 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.089 6.458 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.136 5.577 -10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.636 4.017 -9.816 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.756 3.652 -9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -4.030 4.862 -9.416 1.00 0.00 H new ATOM 1635 N PHE A 109 1.854 4.725 -5.913 1.00 0.00 N ATOM 1636 CA PHE A 109 2.397 5.043 -4.598 1.00 0.00 C ATOM 1637 C PHE A 109 3.916 4.897 -4.586 1.00 0.00 C ATOM 1638 O PHE A 109 4.614 5.616 -3.870 1.00 0.00 O ATOM 1639 CB PHE A 109 1.778 4.135 -3.533 1.00 0.00 C ATOM 1640 CG PHE A 109 0.348 4.470 -3.217 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.678 4.022 -4.033 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.031 5.232 -2.105 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.995 4.330 -3.745 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.283 5.542 -1.811 1.00 0.00 C ATOM 1645 CZ PHE A 109 -2.298 5.090 -2.632 1.00 0.00 C ATOM 0 H PHE A 109 1.257 3.899 -5.934 1.00 0.00 H new ATOM 0 HA PHE A 109 2.147 6.080 -4.371 1.00 0.00 H new ATOM 0 HB2 PHE A 109 1.834 3.100 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.369 4.204 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.447 3.426 -4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.820 5.588 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.786 3.977 -4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.516 6.137 -0.940 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.326 5.330 -2.404 1.00 0.00 H new ATOM 1655 N TYR A 110 4.420 3.962 -5.384 1.00 0.00 N ATOM 1656 CA TYR A 110 5.856 3.719 -5.464 1.00 0.00 C ATOM 1657 C TYR A 110 6.548 4.807 -6.278 1.00 0.00 C ATOM 1658 O TYR A 110 7.374 5.556 -5.757 1.00 0.00 O ATOM 1659 CB TYR A 110 6.128 2.349 -6.087 1.00 0.00 C ATOM 1660 CG TYR A 110 7.453 2.265 -6.809 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.615 1.912 -6.132 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.545 2.537 -8.169 1.00 0.00 C ATOM 1663 CE1 TYR A 110 9.828 1.835 -6.788 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.753 2.460 -8.833 1.00 0.00 C ATOM 1665 CZ TYR A 110 9.892 2.110 -8.138 1.00 0.00 C ATOM 1666 OH TYR A 110 11.099 2.032 -8.796 1.00 0.00 O ATOM 0 H TYR A 110 3.856 3.360 -5.984 1.00 0.00 H new ATOM 0 HA TYR A 110 6.259 3.737 -4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.102 1.591 -5.304 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.327 2.112 -6.787 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.568 1.694 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.656 2.813 -8.716 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.722 1.561 -6.247 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.806 2.673 -9.891 1.00 0.00 H new ATOM 0 HH TYR A 110 10.971 2.255 -9.742 1.00 0.00 H new ATOM 1676 N GLU A 111 6.204 4.887 -7.560 1.00 0.00 N ATOM 1677 CA GLU A 111 6.793 5.884 -8.447 1.00 0.00 C ATOM 1678 C GLU A 111 6.801 7.261 -7.789 1.00 0.00 C ATOM 1679 O GLU A 111 7.619 8.116 -8.126 1.00 0.00 O ATOM 1680 CB GLU A 111 6.022 5.942 -9.768 1.00 0.00 C ATOM 1681 CG GLU A 111 6.263 4.740 -10.666 1.00 0.00 C ATOM 1682 CD GLU A 111 5.699 4.932 -12.060 1.00 0.00 C ATOM 1683 OE1 GLU A 111 5.741 6.073 -12.565 1.00 0.00 O ATOM 1684 OE2 GLU A 111 5.214 3.941 -12.646 1.00 0.00 O ATOM 0 H GLU A 111 5.522 4.275 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 111 7.823 5.591 -8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 111 4.956 6.017 -9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.304 6.848 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.334 4.551 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.812 3.857 -10.214 1.00 0.00 H new ATOM 1691 N MET A 112 5.883 7.467 -6.850 1.00 0.00 N ATOM 1692 CA MET A 112 5.785 8.739 -6.145 1.00 0.00 C ATOM 1693 C MET A 112 6.885 8.866 -5.096 1.00 0.00 C ATOM 1694 O MET A 112 7.414 9.954 -4.865 1.00 0.00 O ATOM 1695 CB MET A 112 4.413 8.874 -5.481 1.00 0.00 C ATOM 1696 CG MET A 112 4.230 10.179 -4.723 1.00 0.00 C ATOM 1697 SD MET A 112 4.005 11.592 -5.820 1.00 0.00 S ATOM 1698 CE MET A 112 2.240 11.515 -6.114 1.00 0.00 C ATOM 0 H MET A 112 5.197 6.770 -6.560 1.00 0.00 H new ATOM 0 HA MET A 112 5.909 9.540 -6.874 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.640 8.796 -6.245 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.268 8.041 -4.794 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.366 10.094 -4.064 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.099 10.351 -4.088 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.893 12.475 -6.497 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.026 10.734 -6.844 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.725 11.289 -5.180 1.00 0.00 H new ATOM 1708 N PHE A 113 7.226 7.748 -4.464 1.00 0.00 N ATOM 1709 CA PHE A 113 8.263 7.735 -3.439 1.00 0.00 C ATOM 1710 C PHE A 113 9.362 6.737 -3.790 1.00 0.00 C ATOM 1711 O PHE A 113 10.005 6.168 -2.908 1.00 0.00 O ATOM 1712 CB PHE A 113 7.658 7.386 -2.077 1.00 0.00 C ATOM 1713 CG PHE A 113 6.453 8.212 -1.727 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.543 9.592 -1.641 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.230 7.608 -1.484 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.436 10.353 -1.319 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.119 8.364 -1.161 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.222 9.739 -1.080 1.00 0.00 C ATOM 0 H PHE A 113 6.799 6.839 -4.644 1.00 0.00 H new ATOM 0 HA PHE A 113 8.703 8.731 -3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.380 6.332 -2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.417 7.520 -1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.489 10.078 -1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.144 6.533 -1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.520 11.428 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.172 7.880 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.355 10.333 -0.830 1.00 0.00 H new ATOM 1728 N LYS A 114 9.572 6.529 -5.086 1.00 0.00 N ATOM 1729 CA LYS A 114 10.594 5.601 -5.557 1.00 0.00 C ATOM 1730 C LYS A 114 11.976 6.245 -5.512 1.00 0.00 C ATOM 1731 O LYS A 114 12.968 5.586 -5.203 1.00 0.00 O ATOM 1732 CB LYS A 114 10.278 5.143 -6.982 1.00 0.00 C ATOM 1733 CG LYS A 114 10.684 6.147 -8.047 1.00 0.00 C ATOM 1734 CD LYS A 114 10.619 5.541 -9.439 1.00 0.00 C ATOM 1735 CE LYS A 114 10.746 6.606 -10.518 1.00 0.00 C ATOM 1736 NZ LYS A 114 10.713 6.017 -11.885 1.00 0.00 N ATOM 0 H LYS A 114 9.048 6.991 -5.829 1.00 0.00 H new ATOM 0 HA LYS A 114 10.595 4.734 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 114 10.787 4.198 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.208 4.951 -7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.029 7.017 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.697 6.499 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.417 4.807 -9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.676 5.008 -9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.935 7.327 -10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.679 7.153 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 10.802 6.775 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.501 5.348 -11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.812 5.517 -12.026 1.00 0.00 H new