USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 558 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 36 LYS NZ :NH3+ 153:sc= 1.37 (180deg=-0.0771) USER MOD Set 1.2: A 43 CYS SG : rot 26:sc= 1.12 USER MOD Set 2.1: A 4 MET CE :methyl 178:sc= -1.46 (180deg=-1.57) USER MOD Set 2.2: A 74 ASN : amide:sc= -0.2 K(o=-1.7,f=-3.2) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0252 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -9.89! C(o=-9.9!,f=-11!) USER MOD Single : A 18 THR OG1 : rot 80:sc= -5.23! USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0678 USER MOD Single : A 28 CYS SG : rot -128:sc= -6.44! USER MOD Single : A 35 CYS SG : rot 77:sc= -6.7! USER MOD Single : A 44 HIS : no HE2:sc= -0.329 K(o=-0.33,f=-8.2!) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0173 USER MOD Single : A 52 SER OG : rot -163:sc= 0.0661 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -179:sc= -7.78! (180deg=-7.84!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 72 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.596 -1.936 -11.327 1.00 0.00 N ATOM 77 CA MET A 4 -2.614 -2.697 -10.566 1.00 0.00 C ATOM 78 C MET A 4 -3.116 -2.938 -9.146 1.00 0.00 C ATOM 79 O MET A 4 -4.274 -2.662 -8.837 1.00 0.00 O ATOM 80 CB MET A 4 -1.273 -1.960 -10.538 1.00 0.00 C ATOM 81 CG MET A 4 -0.596 -1.880 -11.896 1.00 0.00 C ATOM 82 SD MET A 4 0.122 -3.454 -12.407 1.00 0.00 S ATOM 83 CE MET A 4 1.867 -3.046 -12.406 1.00 0.00 C ATOM 0 HA MET A 4 -2.469 -3.661 -11.053 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.431 -0.950 -10.160 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.606 -2.463 -9.838 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.323 -1.557 -12.642 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.186 -1.121 -11.864 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.448 -3.931 -12.668 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.057 -2.258 -13.135 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.159 -2.701 -11.414 1.00 0.00 H new ATOM 93 N PHE A 5 -2.248 -3.461 -8.287 1.00 0.00 N ATOM 94 CA PHE A 5 -2.628 -3.739 -6.908 1.00 0.00 C ATOM 95 C PHE A 5 -1.427 -3.672 -5.975 1.00 0.00 C ATOM 96 O PHE A 5 -0.282 -3.831 -6.400 1.00 0.00 O ATOM 97 CB PHE A 5 -3.279 -5.121 -6.816 1.00 0.00 C ATOM 98 CG PHE A 5 -2.337 -6.247 -7.140 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.760 -6.344 -8.396 1.00 0.00 C ATOM 100 CD2 PHE A 5 -2.029 -7.206 -6.188 1.00 0.00 C ATOM 101 CE1 PHE A 5 -0.891 -7.376 -8.695 1.00 0.00 C ATOM 102 CE2 PHE A 5 -1.161 -8.240 -6.482 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.591 -8.325 -7.738 1.00 0.00 C ATOM 0 H PHE A 5 -1.284 -3.699 -8.519 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.341 -2.976 -6.596 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.671 -5.263 -5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.129 -5.160 -7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.992 -5.605 -9.149 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.473 -7.144 -5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.447 -7.440 -9.677 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.928 -8.981 -5.731 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.088 -9.132 -7.971 1.00 0.00 H new ATOM 113 N LEU A 6 -1.702 -3.434 -4.698 1.00 0.00 N ATOM 114 CA LEU A 6 -0.655 -3.340 -3.690 1.00 0.00 C ATOM 115 C LEU A 6 -0.862 -4.368 -2.581 1.00 0.00 C ATOM 116 O LEU A 6 -1.989 -4.612 -2.151 1.00 0.00 O ATOM 117 CB LEU A 6 -0.640 -1.940 -3.084 1.00 0.00 C ATOM 118 CG LEU A 6 -1.945 -1.527 -2.411 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.953 -1.965 -0.956 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.157 -0.022 -2.525 1.00 0.00 C ATOM 0 H LEU A 6 -2.646 -3.302 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 6 0.299 -3.543 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.165 -1.884 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.408 -1.221 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.769 -2.024 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.891 -1.663 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.854 -3.049 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.120 -1.498 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.093 0.251 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.331 0.499 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.198 0.261 -3.577 1.00 0.00 H new ATOM 132 N THR A 7 0.235 -4.952 -2.108 1.00 0.00 N ATOM 133 CA THR A 7 0.169 -5.935 -1.033 1.00 0.00 C ATOM 134 C THR A 7 0.494 -5.281 0.304 1.00 0.00 C ATOM 135 O THR A 7 1.641 -4.908 0.562 1.00 0.00 O ATOM 136 CB THR A 7 1.122 -7.100 -1.286 1.00 0.00 C ATOM 137 OG1 THR A 7 0.882 -7.682 -2.557 1.00 0.00 O ATOM 138 CG2 THR A 7 0.993 -8.191 -0.245 1.00 0.00 C ATOM 0 H THR A 7 1.177 -4.762 -2.451 1.00 0.00 H new ATOM 0 HA THR A 7 -0.848 -6.327 -1.004 1.00 0.00 H new ATOM 0 HB THR A 7 2.126 -6.680 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.505 -8.425 -2.699 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.693 -8.995 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.217 -7.782 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.024 -8.582 -0.252 1.00 0.00 H new ATOM 146 N VAL A 8 -0.523 -5.147 1.146 1.00 0.00 N ATOM 147 CA VAL A 8 -0.359 -4.530 2.459 1.00 0.00 C ATOM 148 C VAL A 8 -0.019 -5.575 3.510 1.00 0.00 C ATOM 149 O VAL A 8 -0.270 -6.758 3.317 1.00 0.00 O ATOM 150 CB VAL A 8 -1.629 -3.772 2.904 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.278 -2.712 3.936 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.347 -3.143 1.718 1.00 0.00 C ATOM 0 H VAL A 8 -1.473 -5.458 0.944 1.00 0.00 H new ATOM 0 HA VAL A 8 0.460 -3.817 2.367 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.307 -4.495 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.183 -2.186 4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.825 -3.187 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.574 -2.002 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.236 -2.618 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.681 -2.438 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.639 -3.923 1.015 1.00 0.00 H new ATOM 162 N TYR A 9 0.563 -5.134 4.618 1.00 0.00 N ATOM 163 CA TYR A 9 0.943 -6.039 5.695 1.00 0.00 C ATOM 164 C TYR A 9 0.101 -5.798 6.936 1.00 0.00 C ATOM 165 O TYR A 9 -0.092 -4.655 7.368 1.00 0.00 O ATOM 166 CB TYR A 9 2.433 -5.908 6.004 1.00 0.00 C ATOM 167 CG TYR A 9 3.295 -6.782 5.118 1.00 0.00 C ATOM 168 CD1 TYR A 9 3.115 -6.795 3.741 1.00 0.00 C ATOM 169 CD2 TYR A 9 4.283 -7.596 5.656 1.00 0.00 C ATOM 170 CE1 TYR A 9 3.895 -7.594 2.924 1.00 0.00 C ATOM 171 CE2 TYR A 9 5.067 -8.397 4.848 1.00 0.00 C ATOM 172 CZ TYR A 9 4.870 -8.392 3.483 1.00 0.00 C ATOM 173 OH TYR A 9 5.650 -9.188 2.676 1.00 0.00 O ATOM 0 H TYR A 9 0.782 -4.154 4.794 1.00 0.00 H new ATOM 0 HA TYR A 9 0.754 -7.060 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.734 -4.867 5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.608 -6.172 7.047 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.352 -6.170 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.441 -7.603 6.724 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.741 -7.592 1.855 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.831 -9.024 5.283 1.00 0.00 H new ATOM 0 HH TYR A 9 6.289 -9.686 3.227 1.00 0.00 H new ATOM 183 N LEU A 10 -0.416 -6.893 7.487 1.00 0.00 N ATOM 184 CA LEU A 10 -1.271 -6.841 8.667 1.00 0.00 C ATOM 185 C LEU A 10 -0.491 -7.083 9.954 1.00 0.00 C ATOM 186 O LEU A 10 0.307 -8.014 10.051 1.00 0.00 O ATOM 187 CB LEU A 10 -2.385 -7.885 8.551 1.00 0.00 C ATOM 188 CG LEU A 10 -3.249 -7.777 7.294 1.00 0.00 C ATOM 189 CD1 LEU A 10 -2.672 -8.628 6.171 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.683 -8.188 7.599 1.00 0.00 C ATOM 0 H LEU A 10 -0.255 -7.835 7.130 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.695 -5.838 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.935 -8.878 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.031 -7.802 9.425 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.252 -6.738 6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.301 -8.537 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.664 -8.286 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.637 -9.671 6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.285 -8.106 6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.699 -9.219 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.093 -7.534 8.369 1.00 0.00 H new ATOM 241 N GLU A 14 5.629 -9.145 8.109 1.00 0.00 N ATOM 242 CA GLU A 14 6.709 -10.072 7.799 1.00 0.00 C ATOM 243 C GLU A 14 6.213 -11.139 6.831 1.00 0.00 C ATOM 244 O GLU A 14 6.830 -11.393 5.797 1.00 0.00 O ATOM 245 CB GLU A 14 7.240 -10.726 9.076 1.00 0.00 C ATOM 246 CG GLU A 14 8.747 -10.923 9.077 1.00 0.00 C ATOM 247 CD GLU A 14 9.282 -11.340 10.432 1.00 0.00 C ATOM 248 OE1 GLU A 14 9.013 -12.486 10.849 1.00 0.00 O ATOM 249 OE2 GLU A 14 9.969 -10.521 11.077 1.00 0.00 O ATOM 0 HA GLU A 14 7.523 -9.516 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.962 -10.111 9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.755 -11.693 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.011 -11.680 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.231 -9.996 8.770 1.00 0.00 H new ATOM 256 N GLN A 15 5.088 -11.752 7.178 1.00 0.00 N ATOM 257 CA GLN A 15 4.492 -12.788 6.344 1.00 0.00 C ATOM 258 C GLN A 15 2.983 -12.622 6.241 1.00 0.00 C ATOM 259 O GLN A 15 2.347 -13.294 5.429 1.00 0.00 O ATOM 260 CB GLN A 15 4.833 -14.177 6.886 1.00 0.00 C ATOM 261 CG GLN A 15 4.883 -15.254 5.813 1.00 0.00 C ATOM 262 CD GLN A 15 6.296 -15.705 5.506 1.00 0.00 C ATOM 263 OE1 GLN A 15 6.917 -15.235 4.552 1.00 0.00 O ATOM 264 NE2 GLN A 15 6.814 -16.624 6.313 1.00 0.00 N ATOM 0 H GLN A 15 4.569 -11.549 8.033 1.00 0.00 H new ATOM 0 HA GLN A 15 4.911 -12.685 5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.798 -14.134 7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.093 -14.457 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.294 -16.112 6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.420 -14.875 4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.265 -16.987 7.092 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.761 -16.967 6.154 1.00 0.00 H new ATOM 273 N HIS A 16 2.396 -11.707 7.020 1.00 0.00 N ATOM 274 CA HIS A 16 0.964 -11.496 6.906 1.00 0.00 C ATOM 275 C HIS A 16 0.740 -10.255 6.071 1.00 0.00 C ATOM 276 O HIS A 16 1.200 -9.165 6.413 1.00 0.00 O ATOM 277 CB HIS A 16 0.356 -11.301 8.299 1.00 0.00 C ATOM 278 CG HIS A 16 -1.139 -11.274 8.331 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.928 -11.322 7.202 1.00 0.00 N ATOM 280 CD2 HIS A 16 -1.992 -11.181 9.378 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.199 -11.253 7.554 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.266 -11.167 8.872 1.00 0.00 N ATOM 0 H HIS A 16 2.874 -11.125 7.708 1.00 0.00 H new ATOM 0 HA HIS A 16 0.490 -12.359 6.438 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.705 -12.104 8.948 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.732 -10.367 8.717 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.719 -11.128 10.421 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.042 -11.265 6.879 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.123 -11.101 9.421 1.00 0.00 H new ATOM 291 N PHE A 17 0.032 -10.428 4.974 1.00 0.00 N ATOM 292 CA PHE A 17 -0.258 -9.328 4.083 1.00 0.00 C ATOM 293 C PHE A 17 -1.634 -9.449 3.471 1.00 0.00 C ATOM 294 O PHE A 17 -2.193 -10.542 3.376 1.00 0.00 O ATOM 295 CB PHE A 17 0.791 -9.228 2.987 1.00 0.00 C ATOM 296 CG PHE A 17 1.076 -10.539 2.342 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.165 -11.295 2.749 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.252 -11.020 1.333 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.437 -12.509 2.164 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.521 -12.241 0.740 1.00 0.00 C ATOM 301 CZ PHE A 17 1.616 -12.986 1.155 1.00 0.00 C ATOM 0 H PHE A 17 -0.354 -11.325 4.679 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.234 -8.417 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.453 -8.521 2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.713 -8.827 3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.807 -10.926 3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.600 -10.440 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.288 -13.089 2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.120 -12.614 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.828 -13.938 0.691 1.00 0.00 H new ATOM 311 N THR A 18 -2.142 -8.337 2.994 1.00 0.00 N ATOM 312 CA THR A 18 -3.413 -8.324 2.315 1.00 0.00 C ATOM 313 C THR A 18 -3.285 -7.484 1.057 1.00 0.00 C ATOM 314 O THR A 18 -3.042 -6.280 1.122 1.00 0.00 O ATOM 315 CB THR A 18 -4.520 -7.785 3.220 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.763 -7.772 2.541 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.251 -6.381 3.716 1.00 0.00 C ATOM 0 H THR A 18 -1.690 -7.425 3.065 1.00 0.00 H new ATOM 0 HA THR A 18 -3.688 -9.344 2.048 1.00 0.00 H new ATOM 0 HB THR A 18 -4.548 -8.458 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.148 -8.673 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.074 -6.056 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.323 -6.369 4.287 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.162 -5.705 2.865 1.00 0.00 H new ATOM 325 N GLU A 19 -3.422 -8.132 -0.089 1.00 0.00 N ATOM 326 CA GLU A 19 -3.289 -7.446 -1.362 1.00 0.00 C ATOM 327 C GLU A 19 -4.640 -6.983 -1.874 1.00 0.00 C ATOM 328 O GLU A 19 -5.677 -7.559 -1.543 1.00 0.00 O ATOM 329 CB GLU A 19 -2.605 -8.351 -2.387 1.00 0.00 C ATOM 330 CG GLU A 19 -3.083 -9.795 -2.360 1.00 0.00 C ATOM 331 CD GLU A 19 -2.106 -10.725 -1.666 1.00 0.00 C ATOM 332 OE1 GLU A 19 -2.374 -11.945 -1.627 1.00 0.00 O ATOM 333 OE2 GLU A 19 -1.073 -10.236 -1.161 1.00 0.00 O ATOM 0 H GLU A 19 -3.625 -9.129 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.668 -6.564 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.772 -7.943 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.529 -8.333 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.047 -9.844 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.242 -10.139 -3.382 1.00 0.00 H new ATOM 340 N VAL A 20 -4.622 -5.915 -2.660 1.00 0.00 N ATOM 341 CA VAL A 20 -5.855 -5.348 -3.189 1.00 0.00 C ATOM 342 C VAL A 20 -5.642 -4.588 -4.497 1.00 0.00 C ATOM 343 O VAL A 20 -4.713 -3.784 -4.614 1.00 0.00 O ATOM 344 CB VAL A 20 -6.481 -4.380 -2.171 1.00 0.00 C ATOM 345 CG1 VAL A 20 -7.011 -5.139 -0.966 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.464 -3.326 -1.748 1.00 0.00 C ATOM 0 H VAL A 20 -3.773 -5.426 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.517 -6.192 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.322 -3.873 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.450 -4.436 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.771 -5.850 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.193 -5.676 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.921 -2.648 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.603 -3.814 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.140 -2.762 -2.622 1.00 0.00 H new ATOM 356 N PRO A 21 -6.528 -4.809 -5.488 1.00 0.00 N ATOM 357 CA PRO A 21 -6.470 -4.125 -6.774 1.00 0.00 C ATOM 358 C PRO A 21 -7.218 -2.801 -6.712 1.00 0.00 C ATOM 359 O PRO A 21 -8.436 -2.777 -6.535 1.00 0.00 O ATOM 360 CB PRO A 21 -7.179 -5.107 -7.700 1.00 0.00 C ATOM 361 CG PRO A 21 -8.215 -5.751 -6.837 1.00 0.00 C ATOM 362 CD PRO A 21 -7.685 -5.725 -5.421 1.00 0.00 C ATOM 0 HA PRO A 21 -5.458 -3.878 -7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.632 -4.596 -8.550 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.485 -5.844 -8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.162 -5.215 -6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.404 -6.775 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.438 -5.366 -4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.388 -6.719 -5.088 1.00 0.00 H new ATOM 370 N VAL A 22 -6.486 -1.699 -6.819 1.00 0.00 N ATOM 371 CA VAL A 22 -7.095 -0.379 -6.733 1.00 0.00 C ATOM 372 C VAL A 22 -6.865 0.452 -7.987 1.00 0.00 C ATOM 373 O VAL A 22 -5.857 0.313 -8.678 1.00 0.00 O ATOM 374 CB VAL A 22 -6.560 0.409 -5.503 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.215 -0.145 -5.055 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.444 1.905 -5.797 1.00 0.00 C ATOM 0 H VAL A 22 -5.476 -1.693 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.166 -0.550 -6.625 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.282 0.283 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.858 0.419 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.327 -1.194 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.496 -0.058 -5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.067 2.421 -4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.757 2.060 -6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.425 2.302 -6.058 1.00 0.00 H new ATOM 386 N THR A 23 -7.801 1.359 -8.221 1.00 0.00 N ATOM 387 CA THR A 23 -7.730 2.289 -9.329 1.00 0.00 C ATOM 388 C THR A 23 -7.328 3.642 -8.764 1.00 0.00 C ATOM 389 O THR A 23 -7.314 3.815 -7.546 1.00 0.00 O ATOM 390 CB THR A 23 -9.076 2.378 -10.049 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.054 2.973 -9.215 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.604 1.029 -10.490 1.00 0.00 C ATOM 0 H THR A 23 -8.634 1.468 -7.643 1.00 0.00 H new ATOM 0 HA THR A 23 -6.998 1.952 -10.062 1.00 0.00 H new ATOM 0 HB THR A 23 -8.893 2.987 -10.934 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.907 3.022 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.561 1.160 -10.994 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.893 0.566 -11.175 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.738 0.388 -9.619 1.00 0.00 H new ATOM 400 N PRO A 24 -6.987 4.625 -9.597 1.00 0.00 N ATOM 401 CA PRO A 24 -6.587 5.934 -9.092 1.00 0.00 C ATOM 402 C PRO A 24 -7.726 6.657 -8.368 1.00 0.00 C ATOM 403 O PRO A 24 -7.547 7.767 -7.867 1.00 0.00 O ATOM 404 CB PRO A 24 -6.141 6.701 -10.335 1.00 0.00 C ATOM 405 CG PRO A 24 -6.024 5.682 -11.424 1.00 0.00 C ATOM 406 CD PRO A 24 -6.960 4.563 -11.063 1.00 0.00 C ATOM 0 HA PRO A 24 -5.798 5.850 -8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.864 7.473 -10.598 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.188 7.202 -10.164 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.289 6.113 -12.389 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.000 5.319 -11.508 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.951 4.709 -11.493 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.597 3.600 -11.421 1.00 0.00 H new ATOM 414 N GLU A 25 -8.895 6.017 -8.298 1.00 0.00 N ATOM 415 CA GLU A 25 -10.044 6.596 -7.615 1.00 0.00 C ATOM 416 C GLU A 25 -9.937 6.367 -6.109 1.00 0.00 C ATOM 417 O GLU A 25 -9.953 7.316 -5.326 1.00 0.00 O ATOM 418 CB GLU A 25 -11.344 5.989 -8.146 1.00 0.00 C ATOM 419 CG GLU A 25 -11.856 6.662 -9.409 1.00 0.00 C ATOM 420 CD GLU A 25 -12.917 7.706 -9.123 1.00 0.00 C ATOM 421 OE1 GLU A 25 -12.552 8.883 -8.914 1.00 0.00 O ATOM 422 OE2 GLU A 25 -14.114 7.349 -9.108 1.00 0.00 O ATOM 0 H GLU A 25 -9.067 5.098 -8.707 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.054 7.669 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.185 4.930 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.109 6.056 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.021 7.131 -9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.266 5.906 -10.079 1.00 0.00 H new ATOM 429 N THR A 26 -9.814 5.101 -5.710 1.00 0.00 N ATOM 430 CA THR A 26 -9.689 4.757 -4.297 1.00 0.00 C ATOM 431 C THR A 26 -8.244 4.882 -3.842 1.00 0.00 C ATOM 432 O THR A 26 -7.318 4.635 -4.615 1.00 0.00 O ATOM 433 CB THR A 26 -10.188 3.344 -4.024 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.646 2.424 -4.956 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.695 3.228 -4.073 1.00 0.00 C ATOM 0 H THR A 26 -9.798 4.301 -6.343 1.00 0.00 H new ATOM 0 HA THR A 26 -10.306 5.458 -3.735 1.00 0.00 H new ATOM 0 HB THR A 26 -9.855 3.109 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.980 1.524 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.987 2.198 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.135 3.884 -3.322 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.050 3.518 -5.062 1.00 0.00 H new ATOM 443 N ILE A 27 -8.051 5.263 -2.586 1.00 0.00 N ATOM 444 CA ILE A 27 -6.697 5.409 -2.053 1.00 0.00 C ATOM 445 C ILE A 27 -6.554 4.877 -0.625 1.00 0.00 C ATOM 446 O ILE A 27 -7.286 5.276 0.278 1.00 0.00 O ATOM 447 CB ILE A 27 -6.310 6.900 -2.049 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.101 7.663 -0.974 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.553 7.511 -3.418 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.581 7.334 -0.921 1.00 0.00 C ATOM 0 H ILE A 27 -8.798 5.474 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.042 4.822 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.249 6.979 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.661 7.451 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.987 8.733 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.275 8.565 -3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.951 6.989 -4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.608 7.418 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.056 7.919 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.042 7.574 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.710 6.272 -0.712 1.00 0.00 H new ATOM 462 N CYS A 28 -5.558 4.020 -0.424 1.00 0.00 N ATOM 463 CA CYS A 28 -5.235 3.460 0.889 1.00 0.00 C ATOM 464 C CYS A 28 -6.486 3.149 1.713 1.00 0.00 C ATOM 465 O CYS A 28 -6.422 3.048 2.942 1.00 0.00 O ATOM 466 CB CYS A 28 -4.310 4.394 1.652 1.00 0.00 C ATOM 467 SG CYS A 28 -3.124 3.545 2.722 1.00 0.00 S ATOM 0 H CYS A 28 -4.947 3.691 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.722 2.513 0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.763 5.010 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.913 5.069 2.259 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.189 4.041 3.922 1.00 0.00 H new ATOM 473 N ARG A 29 -7.604 2.958 1.036 1.00 0.00 N ATOM 474 CA ARG A 29 -8.850 2.627 1.703 1.00 0.00 C ATOM 475 C ARG A 29 -8.864 1.137 1.916 1.00 0.00 C ATOM 476 O ARG A 29 -9.181 0.642 2.996 1.00 0.00 O ATOM 477 CB ARG A 29 -10.052 3.063 0.862 1.00 0.00 C ATOM 478 CG ARG A 29 -11.262 3.466 1.693 1.00 0.00 C ATOM 479 CD ARG A 29 -11.777 4.842 1.299 1.00 0.00 C ATOM 480 NE ARG A 29 -13.220 4.961 1.493 1.00 0.00 N ATOM 481 CZ ARG A 29 -14.125 4.480 0.644 1.00 0.00 C ATOM 482 NH1 ARG A 29 -13.742 3.846 -0.458 1.00 0.00 N ATOM 483 NH2 ARG A 29 -15.418 4.631 0.896 1.00 0.00 N ATOM 0 H ARG A 29 -7.674 3.027 0.021 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.920 3.151 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.759 3.902 0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.334 2.247 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.055 2.729 1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.995 3.465 2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.268 5.603 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.534 5.035 0.254 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.554 5.441 2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.749 3.725 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.441 3.480 -1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.720 5.116 1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.111 4.262 0.245 1.00 0.00 H new ATOM 497 N ASP A 30 -8.460 0.437 0.872 1.00 0.00 N ATOM 498 CA ASP A 30 -8.359 -1.010 0.923 1.00 0.00 C ATOM 499 C ASP A 30 -7.183 -1.397 1.813 1.00 0.00 C ATOM 500 O ASP A 30 -7.200 -2.437 2.473 1.00 0.00 O ATOM 501 CB ASP A 30 -8.172 -1.587 -0.483 1.00 0.00 C ATOM 502 CG ASP A 30 -9.492 -1.897 -1.161 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.690 -1.443 -2.309 1.00 0.00 O ATOM 504 OD2 ASP A 30 -10.327 -2.593 -0.547 1.00 0.00 O ATOM 0 H ASP A 30 -8.196 0.848 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.281 -1.420 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.612 -0.878 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.575 -2.497 -0.423 1.00 0.00 H new ATOM 509 N VAL A 31 -6.162 -0.535 1.832 1.00 0.00 N ATOM 510 CA VAL A 31 -4.975 -0.764 2.644 1.00 0.00 C ATOM 511 C VAL A 31 -5.315 -0.688 4.129 1.00 0.00 C ATOM 512 O VAL A 31 -5.017 -1.608 4.896 1.00 0.00 O ATOM 513 CB VAL A 31 -3.886 0.284 2.309 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.659 0.143 3.205 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.493 0.184 0.846 1.00 0.00 C ATOM 0 H VAL A 31 -6.139 0.329 1.290 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.598 -1.761 2.419 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.310 1.270 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.922 0.899 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.951 0.279 4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.226 -0.849 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.727 0.926 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.103 -0.813 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.367 0.367 0.221 1.00 0.00 H new ATOM 525 N VAL A 32 -5.953 0.408 4.532 1.00 0.00 N ATOM 526 CA VAL A 32 -6.336 0.588 5.927 1.00 0.00 C ATOM 527 C VAL A 32 -7.511 -0.311 6.303 1.00 0.00 C ATOM 528 O VAL A 32 -7.544 -0.877 7.396 1.00 0.00 O ATOM 529 CB VAL A 32 -6.695 2.056 6.227 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.171 2.209 7.664 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.496 2.954 5.960 1.00 0.00 C ATOM 0 H VAL A 32 -6.213 1.179 3.917 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.472 0.307 6.529 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.509 2.357 5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.420 3.253 7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.055 1.591 7.822 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.380 1.893 8.345 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.761 3.989 6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.666 2.652 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.201 2.865 4.915 1.00 0.00 H new ATOM 541 N ASP A 33 -8.477 -0.431 5.400 1.00 0.00 N ATOM 542 CA ASP A 33 -9.659 -1.251 5.648 1.00 0.00 C ATOM 543 C ASP A 33 -9.289 -2.702 5.942 1.00 0.00 C ATOM 544 O ASP A 33 -9.838 -3.312 6.860 1.00 0.00 O ATOM 545 CB ASP A 33 -10.610 -1.198 4.452 1.00 0.00 C ATOM 546 CG ASP A 33 -11.421 0.083 4.413 1.00 0.00 C ATOM 547 OD1 ASP A 33 -11.756 0.540 3.301 1.00 0.00 O ATOM 548 OD2 ASP A 33 -11.720 0.628 5.497 1.00 0.00 O ATOM 0 H ASP A 33 -8.466 0.029 4.489 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.157 -0.841 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.035 -1.289 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.286 -2.052 4.491 1.00 0.00 H new ATOM 553 N LEU A 34 -8.374 -3.262 5.156 1.00 0.00 N ATOM 554 CA LEU A 34 -7.970 -4.650 5.346 1.00 0.00 C ATOM 555 C LEU A 34 -6.978 -4.803 6.496 1.00 0.00 C ATOM 556 O LEU A 34 -7.008 -5.803 7.214 1.00 0.00 O ATOM 557 CB LEU A 34 -7.370 -5.212 4.057 1.00 0.00 C ATOM 558 CG LEU A 34 -8.365 -5.936 3.148 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.797 -6.091 1.744 1.00 0.00 C ATOM 560 CD2 LEU A 34 -8.727 -7.294 3.733 1.00 0.00 C ATOM 0 H LEU A 34 -7.903 -2.781 4.389 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.865 -5.216 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.917 -4.394 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.568 -5.903 4.317 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.272 -5.335 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.520 -6.608 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.589 -5.107 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.874 -6.669 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.436 -7.797 3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.827 -7.901 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.178 -7.158 4.716 1.00 0.00 H new ATOM 572 N CYS A 35 -6.097 -3.821 6.676 1.00 0.00 N ATOM 573 CA CYS A 35 -5.113 -3.886 7.748 1.00 0.00 C ATOM 574 C CYS A 35 -5.547 -3.064 8.953 1.00 0.00 C ATOM 575 O CYS A 35 -4.721 -2.531 9.693 1.00 0.00 O ATOM 576 CB CYS A 35 -3.756 -3.410 7.245 1.00 0.00 C ATOM 577 SG CYS A 35 -3.077 -4.402 5.896 1.00 0.00 S ATOM 0 H CYS A 35 -6.046 -2.981 6.099 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.032 -4.925 8.066 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.847 -2.376 6.911 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.051 -3.416 8.076 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.681 -4.096 4.786 1.00 0.00 H new ATOM 583 N LYS A 36 -6.848 -2.984 9.143 1.00 0.00 N ATOM 584 CA LYS A 36 -7.422 -2.244 10.258 1.00 0.00 C ATOM 585 C LYS A 36 -7.667 -3.163 11.452 1.00 0.00 C ATOM 586 O LYS A 36 -7.939 -4.353 11.288 1.00 0.00 O ATOM 587 CB LYS A 36 -8.733 -1.572 9.835 1.00 0.00 C ATOM 588 CG LYS A 36 -8.698 -0.053 9.911 1.00 0.00 C ATOM 589 CD LYS A 36 -8.308 0.429 11.299 1.00 0.00 C ATOM 590 CE LYS A 36 -6.809 0.663 11.405 1.00 0.00 C ATOM 591 NZ LYS A 36 -6.491 1.927 12.124 1.00 0.00 N ATOM 0 H LYS A 36 -7.538 -3.426 8.535 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.710 -1.474 10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.970 -1.870 8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.540 -1.940 10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.988 0.332 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.677 0.348 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.839 1.353 11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.616 -0.307 12.041 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.347 -0.176 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.376 0.696 10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.556 1.845 12.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.483 2.718 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.211 2.102 12.854 1.00 0.00 H new ATOM 679 N CYS A 43 -4.168 6.424 11.657 1.00 0.00 N ATOM 680 CA CYS A 43 -3.296 5.390 11.113 1.00 0.00 C ATOM 681 C CYS A 43 -2.807 5.761 9.717 1.00 0.00 C ATOM 682 O CYS A 43 -3.508 6.432 8.960 1.00 0.00 O ATOM 683 CB CYS A 43 -4.033 4.052 11.064 1.00 0.00 C ATOM 684 SG CYS A 43 -5.563 4.090 10.101 1.00 0.00 S ATOM 0 HA CYS A 43 -2.429 5.302 11.768 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.369 3.298 10.642 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.264 3.739 12.082 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.486 5.024 9.200 1.00 0.00 H new ATOM 690 N HIS A 44 -1.602 5.312 9.381 1.00 0.00 N ATOM 691 CA HIS A 44 -1.018 5.589 8.075 1.00 0.00 C ATOM 692 C HIS A 44 -0.384 4.327 7.492 1.00 0.00 C ATOM 693 O HIS A 44 -0.046 3.395 8.224 1.00 0.00 O ATOM 694 CB HIS A 44 0.013 6.724 8.175 1.00 0.00 C ATOM 695 CG HIS A 44 1.439 6.265 8.274 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.145 5.762 7.200 1.00 0.00 N ATOM 697 CD2 HIS A 44 2.288 6.233 9.328 1.00 0.00 C ATOM 698 CE1 HIS A 44 3.366 5.442 7.589 1.00 0.00 C ATOM 699 NE2 HIS A 44 3.479 5.718 8.875 1.00 0.00 N ATOM 0 H HIS A 44 -1.011 4.754 9.997 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.813 5.911 7.402 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.088 7.367 7.301 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.220 7.333 9.048 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.781 5.654 6.253 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.070 6.552 10.336 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.140 5.025 6.962 1.00 0.00 H new ATOM 708 N LEU A 45 -0.224 4.304 6.173 1.00 0.00 N ATOM 709 CA LEU A 45 0.370 3.162 5.498 1.00 0.00 C ATOM 710 C LEU A 45 1.835 3.445 5.180 1.00 0.00 C ATOM 711 O LEU A 45 2.212 4.590 4.962 1.00 0.00 O ATOM 712 CB LEU A 45 -0.418 2.839 4.225 1.00 0.00 C ATOM 713 CG LEU A 45 0.296 1.930 3.224 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.224 0.484 3.683 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.311 2.085 1.839 1.00 0.00 C ATOM 0 H LEU A 45 -0.499 5.065 5.552 1.00 0.00 H new ATOM 0 HA LEU A 45 0.328 2.293 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.359 2.368 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.668 3.775 3.726 1.00 0.00 H new ATOM 0 HG LEU A 45 1.344 2.223 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.736 -0.153 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.704 0.387 4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.819 0.178 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.209 1.431 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.367 1.815 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.211 3.120 1.512 1.00 0.00 H new ATOM 727 N ALA A 46 2.660 2.404 5.179 1.00 0.00 N ATOM 728 CA ALA A 46 4.088 2.561 4.906 1.00 0.00 C ATOM 729 C ALA A 46 4.494 1.877 3.601 1.00 0.00 C ATOM 730 O ALA A 46 3.865 0.901 3.179 1.00 0.00 O ATOM 731 CB ALA A 46 4.904 2.009 6.064 1.00 0.00 C ATOM 0 H ALA A 46 2.368 1.444 5.363 1.00 0.00 H new ATOM 0 HA ALA A 46 4.290 3.626 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.966 2.131 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.653 2.550 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.679 0.951 6.196 1.00 0.00 H new ATOM 737 N GLU A 47 5.563 2.381 2.974 1.00 0.00 N ATOM 738 CA GLU A 47 6.068 1.795 1.734 1.00 0.00 C ATOM 739 C GLU A 47 7.572 1.539 1.838 1.00 0.00 C ATOM 740 O GLU A 47 8.371 2.472 1.871 1.00 0.00 O ATOM 741 CB GLU A 47 5.785 2.710 0.549 1.00 0.00 C ATOM 742 CG GLU A 47 6.549 4.024 0.584 1.00 0.00 C ATOM 743 CD GLU A 47 5.681 5.214 0.219 1.00 0.00 C ATOM 744 OE1 GLU A 47 4.814 5.067 -0.668 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.869 6.292 0.820 1.00 0.00 O ATOM 0 H GLU A 47 6.090 3.189 3.305 1.00 0.00 H new ATOM 0 HA GLU A 47 5.554 0.847 1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.033 2.182 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.717 2.924 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.963 4.173 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.392 3.969 -0.105 1.00 0.00 H new ATOM 752 N VAL A 48 7.945 0.264 1.870 1.00 0.00 N ATOM 753 CA VAL A 48 9.348 -0.134 1.947 1.00 0.00 C ATOM 754 C VAL A 48 9.715 -1.063 0.806 1.00 0.00 C ATOM 755 O VAL A 48 9.068 -2.095 0.616 1.00 0.00 O ATOM 756 CB VAL A 48 9.702 -0.808 3.288 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.214 -0.900 3.451 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.076 -0.052 4.452 1.00 0.00 C ATOM 0 H VAL A 48 7.290 -0.518 1.844 1.00 0.00 H new ATOM 0 HA VAL A 48 9.927 0.786 1.871 1.00 0.00 H new ATOM 0 HB VAL A 48 9.295 -1.819 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.449 -1.378 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.633 -1.490 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.644 0.102 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.338 -0.544 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.449 0.972 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.992 -0.042 4.338 1.00 0.00 H new ATOM 768 N TRP A 49 10.745 -0.719 0.053 1.00 0.00 N ATOM 769 CA TRP A 49 11.160 -1.573 -1.045 1.00 0.00 C ATOM 770 C TRP A 49 12.675 -1.548 -1.244 1.00 0.00 C ATOM 771 O TRP A 49 13.265 -0.493 -1.469 1.00 0.00 O ATOM 772 CB TRP A 49 10.407 -1.183 -2.316 1.00 0.00 C ATOM 773 CG TRP A 49 11.269 -0.768 -3.452 1.00 0.00 C ATOM 774 CD1 TRP A 49 11.957 -1.563 -4.318 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.521 0.566 -3.835 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.629 -0.785 -5.227 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.378 0.537 -4.944 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.093 1.781 -3.329 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.823 1.700 -5.563 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.528 2.942 -3.937 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.390 2.896 -5.045 1.00 0.00 C ATOM 0 H TRP A 49 11.300 0.128 0.177 1.00 0.00 H new ATOM 0 HA TRP A 49 10.905 -2.604 -0.798 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.796 -2.028 -2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.724 -0.367 -2.080 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.971 -2.643 -4.293 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.217 -1.130 -5.986 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.432 1.820 -2.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.483 1.664 -6.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.201 3.898 -3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.719 3.819 -5.499 1.00 0.00 H new ATOM 792 N CYS A 50 13.294 -2.724 -1.171 1.00 0.00 N ATOM 793 CA CYS A 50 14.739 -2.851 -1.353 1.00 0.00 C ATOM 794 C CYS A 50 15.502 -1.788 -0.564 1.00 0.00 C ATOM 795 O CYS A 50 16.438 -1.174 -1.076 1.00 0.00 O ATOM 796 CB CYS A 50 15.094 -2.750 -2.838 1.00 0.00 C ATOM 797 SG CYS A 50 14.550 -4.163 -3.825 1.00 0.00 S ATOM 0 H CYS A 50 12.816 -3.606 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 50 15.035 -3.829 -0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.649 -1.843 -3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.175 -2.647 -2.936 1.00 0.00 H new ATOM 0 HG CYS A 50 14.894 -3.984 -5.066 1.00 0.00 H new ATOM 803 N GLY A 51 15.098 -1.578 0.684 1.00 0.00 N ATOM 804 CA GLY A 51 15.759 -0.593 1.518 1.00 0.00 C ATOM 805 C GLY A 51 15.143 0.790 1.402 1.00 0.00 C ATOM 806 O GLY A 51 15.472 1.685 2.181 1.00 0.00 O ATOM 0 H GLY A 51 14.326 -2.072 1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.717 -0.918 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.812 -0.540 1.243 1.00 0.00 H new ATOM 810 N SER A 52 14.245 0.968 0.437 1.00 0.00 N ATOM 811 CA SER A 52 13.588 2.255 0.243 1.00 0.00 C ATOM 812 C SER A 52 12.296 2.315 1.044 1.00 0.00 C ATOM 813 O SER A 52 11.252 1.848 0.592 1.00 0.00 O ATOM 814 CB SER A 52 13.290 2.488 -1.242 1.00 0.00 C ATOM 815 OG SER A 52 13.926 3.664 -1.711 1.00 0.00 O ATOM 0 H SER A 52 13.958 0.241 -0.219 1.00 0.00 H new ATOM 0 HA SER A 52 14.260 3.038 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.630 1.631 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.213 2.569 -1.392 1.00 0.00 H new ATOM 0 HG SER A 52 13.517 3.942 -2.557 1.00 0.00 H new ATOM 821 N GLU A 53 12.374 2.892 2.237 1.00 0.00 N ATOM 822 CA GLU A 53 11.209 3.008 3.103 1.00 0.00 C ATOM 823 C GLU A 53 10.731 4.456 3.183 1.00 0.00 C ATOM 824 O GLU A 53 11.528 5.372 3.383 1.00 0.00 O ATOM 825 CB GLU A 53 11.536 2.490 4.504 1.00 0.00 C ATOM 826 CG GLU A 53 12.706 3.207 5.160 1.00 0.00 C ATOM 827 CD GLU A 53 13.874 2.282 5.444 1.00 0.00 C ATOM 828 OE1 GLU A 53 13.632 1.090 5.726 1.00 0.00 O ATOM 829 OE2 GLU A 53 15.031 2.749 5.383 1.00 0.00 O ATOM 0 H GLU A 53 13.231 3.286 2.626 1.00 0.00 H new ATOM 0 HA GLU A 53 10.409 2.403 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.655 2.596 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.760 1.425 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.039 4.018 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.372 3.661 6.093 1.00 0.00 H new ATOM 836 N ARG A 54 9.427 4.655 3.023 1.00 0.00 N ATOM 837 CA ARG A 54 8.843 5.989 3.075 1.00 0.00 C ATOM 838 C ARG A 54 7.434 5.946 3.661 1.00 0.00 C ATOM 839 O ARG A 54 6.744 4.931 3.566 1.00 0.00 O ATOM 840 CB ARG A 54 8.805 6.609 1.677 1.00 0.00 C ATOM 841 CG ARG A 54 10.179 6.948 1.123 1.00 0.00 C ATOM 842 CD ARG A 54 10.725 8.231 1.727 1.00 0.00 C ATOM 843 NE ARG A 54 11.325 9.100 0.716 1.00 0.00 N ATOM 844 CZ ARG A 54 11.559 10.397 0.897 1.00 0.00 C ATOM 845 NH1 ARG A 54 11.249 10.981 2.048 1.00 0.00 N ATOM 846 NH2 ARG A 54 12.106 11.114 -0.076 1.00 0.00 N ATOM 0 H ARG A 54 8.754 3.907 2.856 1.00 0.00 H new ATOM 0 HA ARG A 54 9.468 6.604 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.308 5.918 0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.201 7.516 1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.867 6.128 1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.120 7.052 0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.920 8.765 2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.470 7.987 2.484 1.00 0.00 H new ATOM 0 HE ARG A 54 11.579 8.687 -0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.829 10.435 2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.431 11.976 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.347 10.671 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.286 12.108 0.062 1.00 0.00 H new ATOM 860 N PRO A 55 6.983 7.051 4.276 1.00 0.00 N ATOM 861 CA PRO A 55 5.650 7.131 4.871 1.00 0.00 C ATOM 862 C PRO A 55 4.571 7.401 3.826 1.00 0.00 C ATOM 863 O PRO A 55 4.617 8.410 3.122 1.00 0.00 O ATOM 864 CB PRO A 55 5.776 8.312 5.829 1.00 0.00 C ATOM 865 CG PRO A 55 6.779 9.208 5.184 1.00 0.00 C ATOM 866 CD PRO A 55 7.735 8.311 4.438 1.00 0.00 C ATOM 0 HA PRO A 55 5.351 6.200 5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.820 8.818 5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.108 7.989 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.294 9.909 4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.306 9.802 5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.014 8.737 3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.658 8.157 4.997 1.00 0.00 H new ATOM 874 N VAL A 56 3.599 6.498 3.733 1.00 0.00 N ATOM 875 CA VAL A 56 2.508 6.654 2.774 1.00 0.00 C ATOM 876 C VAL A 56 1.205 7.033 3.483 1.00 0.00 C ATOM 877 O VAL A 56 0.772 6.374 4.435 1.00 0.00 O ATOM 878 CB VAL A 56 2.288 5.387 1.886 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.151 4.206 2.338 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.814 4.992 1.844 1.00 0.00 C ATOM 0 H VAL A 56 3.544 5.656 4.306 1.00 0.00 H new ATOM 0 HA VAL A 56 2.804 7.464 2.107 1.00 0.00 H new ATOM 0 HB VAL A 56 2.603 5.652 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.963 3.349 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.204 4.481 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.901 3.945 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.692 4.108 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.467 4.773 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.229 5.813 1.429 1.00 0.00 H new ATOM 890 N ALA A 57 0.587 8.104 3.002 1.00 0.00 N ATOM 891 CA ALA A 57 -0.662 8.593 3.567 1.00 0.00 C ATOM 892 C ALA A 57 -1.846 7.767 3.085 1.00 0.00 C ATOM 893 O ALA A 57 -1.814 7.198 1.992 1.00 0.00 O ATOM 894 CB ALA A 57 -0.857 10.050 3.192 1.00 0.00 C ATOM 0 H ALA A 57 0.934 8.653 2.216 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.607 8.500 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.793 10.413 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.028 10.640 3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.890 10.145 2.107 1.00 0.00 H new ATOM 900 N ASP A 58 -2.896 7.706 3.899 1.00 0.00 N ATOM 901 CA ASP A 58 -4.080 6.943 3.535 1.00 0.00 C ATOM 902 C ASP A 58 -4.751 7.514 2.290 1.00 0.00 C ATOM 903 O ASP A 58 -5.616 6.873 1.698 1.00 0.00 O ATOM 904 CB ASP A 58 -5.090 6.892 4.679 1.00 0.00 C ATOM 905 CG ASP A 58 -4.441 6.593 6.016 1.00 0.00 C ATOM 906 OD1 ASP A 58 -4.658 7.372 6.968 1.00 0.00 O ATOM 907 OD2 ASP A 58 -3.716 5.582 6.110 1.00 0.00 O ATOM 0 H ASP A 58 -2.949 8.171 4.805 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.743 5.929 3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.614 7.846 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.839 6.130 4.464 1.00 0.00 H new ATOM 912 N ASN A 59 -4.361 8.721 1.897 1.00 0.00 N ATOM 913 CA ASN A 59 -4.947 9.354 0.725 1.00 0.00 C ATOM 914 C ASN A 59 -4.058 9.180 -0.507 1.00 0.00 C ATOM 915 O ASN A 59 -4.183 9.924 -1.480 1.00 0.00 O ATOM 916 CB ASN A 59 -5.188 10.842 0.988 1.00 0.00 C ATOM 917 CG ASN A 59 -6.573 11.114 1.538 1.00 0.00 C ATOM 918 OD1 ASN A 59 -6.801 11.043 2.745 1.00 0.00 O ATOM 919 ND2 ASN A 59 -7.510 11.431 0.650 1.00 0.00 N ATOM 0 H ASN A 59 -3.647 9.276 2.369 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.901 8.865 0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.442 11.209 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.052 11.399 0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.462 11.627 0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.277 11.479 -0.342 1.00 0.00 H new ATOM 926 N GLU A 60 -3.160 8.198 -0.461 1.00 0.00 N ATOM 927 CA GLU A 60 -2.254 7.942 -1.578 1.00 0.00 C ATOM 928 C GLU A 60 -2.909 7.049 -2.635 1.00 0.00 C ATOM 929 O GLU A 60 -3.396 5.961 -2.327 1.00 0.00 O ATOM 930 CB GLU A 60 -0.969 7.287 -1.069 1.00 0.00 C ATOM 931 CG GLU A 60 0.179 8.266 -0.881 1.00 0.00 C ATOM 932 CD GLU A 60 0.478 9.067 -2.134 1.00 0.00 C ATOM 933 OE1 GLU A 60 -0.089 8.740 -3.198 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.279 10.021 -2.051 1.00 0.00 O ATOM 0 H GLU A 60 -3.041 7.570 0.334 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.016 8.899 -2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.174 6.794 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.663 6.512 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.062 8.950 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.073 7.718 -0.583 1.00 0.00 H new ATOM 941 N ARG A 61 -2.902 7.513 -3.884 1.00 0.00 N ATOM 942 CA ARG A 61 -3.482 6.752 -4.988 1.00 0.00 C ATOM 943 C ARG A 61 -2.580 5.572 -5.340 1.00 0.00 C ATOM 944 O ARG A 61 -1.379 5.746 -5.544 1.00 0.00 O ATOM 945 CB ARG A 61 -3.679 7.652 -6.212 1.00 0.00 C ATOM 946 CG ARG A 61 -5.131 7.992 -6.497 1.00 0.00 C ATOM 947 CD ARG A 61 -5.284 9.415 -7.012 1.00 0.00 C ATOM 948 NE ARG A 61 -5.383 9.460 -8.470 1.00 0.00 N ATOM 949 CZ ARG A 61 -6.019 10.416 -9.145 1.00 0.00 C ATOM 950 NH1 ARG A 61 -6.602 11.421 -8.502 1.00 0.00 N ATOM 951 NH2 ARG A 61 -6.066 10.371 -10.469 1.00 0.00 N ATOM 0 H ARG A 61 -2.502 8.411 -4.156 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.455 6.372 -4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.121 8.577 -6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.253 7.159 -7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.531 7.294 -7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.719 7.869 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.174 9.866 -6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.432 10.012 -6.687 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.938 8.713 -9.003 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.565 11.465 -7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.087 12.149 -9.026 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.615 9.605 -10.970 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.553 11.102 -10.987 1.00 0.00 H new ATOM 965 N MET A 62 -3.168 4.375 -5.413 1.00 0.00 N ATOM 966 CA MET A 62 -2.422 3.151 -5.730 1.00 0.00 C ATOM 967 C MET A 62 -1.181 3.459 -6.563 1.00 0.00 C ATOM 968 O MET A 62 -0.095 3.696 -6.029 1.00 0.00 O ATOM 969 CB MET A 62 -3.332 2.161 -6.463 1.00 0.00 C ATOM 970 CG MET A 62 -2.605 0.955 -7.043 1.00 0.00 C ATOM 971 SD MET A 62 -1.613 0.086 -5.815 1.00 0.00 S ATOM 972 CE MET A 62 -0.542 -0.882 -6.873 1.00 0.00 C ATOM 0 H MET A 62 -4.165 4.226 -5.256 1.00 0.00 H new ATOM 0 HA MET A 62 -2.088 2.701 -4.795 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.099 1.811 -5.773 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.844 2.685 -7.270 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.335 0.266 -7.469 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.961 1.282 -7.859 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.122 -1.491 -6.259 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.146 -1.531 -7.507 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.051 -0.215 -7.498 1.00 0.00 H new ATOM 982 N PHE A 63 -1.357 3.468 -7.868 1.00 0.00 N ATOM 983 CA PHE A 63 -0.254 3.752 -8.784 1.00 0.00 C ATOM 984 C PHE A 63 0.503 5.015 -8.379 1.00 0.00 C ATOM 985 O PHE A 63 1.726 5.077 -8.502 1.00 0.00 O ATOM 986 CB PHE A 63 -0.761 3.920 -10.221 1.00 0.00 C ATOM 987 CG PHE A 63 -1.872 2.986 -10.594 1.00 0.00 C ATOM 988 CD1 PHE A 63 -1.599 1.761 -11.178 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.190 3.337 -10.363 1.00 0.00 C ATOM 990 CE1 PHE A 63 -2.622 0.901 -11.524 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.218 2.481 -10.706 1.00 0.00 C ATOM 992 CZ PHE A 63 -3.934 1.261 -11.286 1.00 0.00 C ATOM 0 H PHE A 63 -2.250 3.283 -8.325 1.00 0.00 H new ATOM 0 HA PHE A 63 0.423 2.899 -8.732 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.103 4.946 -10.356 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.072 3.769 -10.908 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.575 1.475 -11.365 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.417 4.290 -9.910 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.397 -0.052 -11.980 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.243 2.766 -10.521 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.736 0.589 -11.553 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.229 6.023 -7.895 1.00 0.00 N ATOM 1003 CA ASP A 64 0.381 7.289 -7.497 1.00 0.00 C ATOM 1004 C ASP A 64 1.639 7.069 -6.681 1.00 0.00 C ATOM 1005 O ASP A 64 2.672 7.690 -6.933 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.607 8.140 -6.704 1.00 0.00 C ATOM 1007 CG ASP A 64 -0.228 9.608 -6.698 1.00 0.00 C ATOM 1008 OD1 ASP A 64 0.983 9.910 -6.744 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -1.143 10.457 -6.649 1.00 0.00 O ATOM 0 H ASP A 64 -1.241 5.985 -7.771 1.00 0.00 H new ATOM 0 HA ASP A 64 0.654 7.817 -8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.604 8.026 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.655 7.775 -5.678 1.00 0.00 H new ATOM 1014 N VAL A 65 1.554 6.175 -5.711 1.00 0.00 N ATOM 1015 CA VAL A 65 2.703 5.873 -4.878 1.00 0.00 C ATOM 1016 C VAL A 65 3.646 4.939 -5.606 1.00 0.00 C ATOM 1017 O VAL A 65 4.859 5.001 -5.430 1.00 0.00 O ATOM 1018 CB VAL A 65 2.292 5.218 -3.553 1.00 0.00 C ATOM 1019 CG1 VAL A 65 1.600 6.225 -2.649 1.00 0.00 C ATOM 1020 CG2 VAL A 65 1.408 4.010 -3.802 1.00 0.00 C ATOM 0 H VAL A 65 0.710 5.650 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 65 3.198 6.820 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 65 3.194 4.874 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.317 5.741 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.279 7.051 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.708 6.606 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.128 3.561 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.509 4.321 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.951 3.279 -4.402 1.00 0.00 H new ATOM 1030 N LEU A 66 3.065 4.074 -6.426 1.00 0.00 N ATOM 1031 CA LEU A 66 3.825 3.101 -7.195 1.00 0.00 C ATOM 1032 C LEU A 66 4.675 3.776 -8.271 1.00 0.00 C ATOM 1033 O LEU A 66 5.541 3.145 -8.874 1.00 0.00 O ATOM 1034 CB LEU A 66 2.869 2.079 -7.817 1.00 0.00 C ATOM 1035 CG LEU A 66 3.009 0.657 -7.270 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.247 0.516 -5.960 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.519 -0.365 -8.288 1.00 0.00 C ATOM 0 H LEU A 66 2.057 4.028 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 66 4.510 2.587 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.845 2.416 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.033 2.057 -8.894 1.00 0.00 H new ATOM 0 HG LEU A 66 4.065 0.465 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.356 -0.501 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.647 1.219 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.191 0.729 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.628 -1.369 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.469 -0.178 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.108 -0.281 -9.201 1.00 0.00 H new ATOM 1049 N GLN A 67 4.427 5.064 -8.502 1.00 0.00 N ATOM 1050 CA GLN A 67 5.178 5.817 -9.498 1.00 0.00 C ATOM 1051 C GLN A 67 6.434 6.440 -8.887 1.00 0.00 C ATOM 1052 O GLN A 67 7.362 6.812 -9.605 1.00 0.00 O ATOM 1053 CB GLN A 67 4.297 6.909 -10.112 1.00 0.00 C ATOM 1054 CG GLN A 67 4.224 6.849 -11.629 1.00 0.00 C ATOM 1055 CD GLN A 67 3.694 8.132 -12.239 1.00 0.00 C ATOM 1056 OE1 GLN A 67 4.393 9.143 -12.289 1.00 0.00 O ATOM 1057 NE2 GLN A 67 2.451 8.096 -12.705 1.00 0.00 N ATOM 0 H GLN A 67 3.713 5.604 -8.013 1.00 0.00 H new ATOM 0 HA GLN A 67 5.487 5.124 -10.281 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.290 6.824 -9.704 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.680 7.885 -9.813 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.217 6.644 -12.029 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.583 6.018 -11.926 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.908 7.235 -12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.040 8.929 -13.125 1.00 0.00 H new ATOM 1066 N ARG A 68 6.459 6.558 -7.560 1.00 0.00 N ATOM 1067 CA ARG A 68 7.601 7.142 -6.870 1.00 0.00 C ATOM 1068 C ARG A 68 8.700 6.107 -6.638 1.00 0.00 C ATOM 1069 O ARG A 68 9.879 6.454 -6.559 1.00 0.00 O ATOM 1070 CB ARG A 68 7.163 7.755 -5.538 1.00 0.00 C ATOM 1071 CG ARG A 68 6.715 6.730 -4.507 1.00 0.00 C ATOM 1072 CD ARG A 68 7.415 6.932 -3.172 1.00 0.00 C ATOM 1073 NE ARG A 68 6.526 7.521 -2.170 1.00 0.00 N ATOM 1074 CZ ARG A 68 6.315 8.828 -2.037 1.00 0.00 C ATOM 1075 NH1 ARG A 68 6.923 9.694 -2.839 1.00 0.00 N ATOM 1076 NH2 ARG A 68 5.490 9.272 -1.099 1.00 0.00 N ATOM 0 H ARG A 68 5.702 6.257 -6.946 1.00 0.00 H new ATOM 0 HA ARG A 68 8.008 7.928 -7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.990 8.333 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.346 8.453 -5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.636 6.802 -4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.922 5.726 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.786 5.974 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.282 7.578 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 68 6.038 6.890 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.557 9.359 -3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.756 10.694 -2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.018 8.612 -0.481 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.327 10.274 -0.996 1.00 0.00 H new ATOM 1090 N PHE A 69 8.314 4.836 -6.538 1.00 0.00 N ATOM 1091 CA PHE A 69 9.286 3.766 -6.324 1.00 0.00 C ATOM 1092 C PHE A 69 10.225 3.637 -7.528 1.00 0.00 C ATOM 1093 O PHE A 69 11.252 2.964 -7.453 1.00 0.00 O ATOM 1094 CB PHE A 69 8.580 2.429 -6.063 1.00 0.00 C ATOM 1095 CG PHE A 69 7.675 2.430 -4.857 1.00 0.00 C ATOM 1096 CD1 PHE A 69 8.107 1.924 -3.637 1.00 0.00 C ATOM 1097 CD2 PHE A 69 6.388 2.925 -4.948 1.00 0.00 C ATOM 1098 CE1 PHE A 69 7.272 1.916 -2.530 1.00 0.00 C ATOM 1099 CE2 PHE A 69 5.549 2.921 -3.854 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.987 2.420 -2.647 1.00 0.00 C ATOM 0 H PHE A 69 7.345 4.524 -6.601 1.00 0.00 H new ATOM 0 HA PHE A 69 9.877 4.024 -5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.993 2.164 -6.943 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.334 1.652 -5.936 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.109 1.531 -3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.035 3.320 -5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.620 1.521 -1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.546 3.311 -3.943 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.328 2.420 -1.792 1.00 0.00 H new ATOM 1110 N GLY A 70 9.872 4.287 -8.638 1.00 0.00 N ATOM 1111 CA GLY A 70 10.702 4.229 -9.829 1.00 0.00 C ATOM 1112 C GLY A 70 10.202 3.218 -10.842 1.00 0.00 C ATOM 1113 O GLY A 70 8.997 3.077 -11.046 1.00 0.00 O ATOM 0 H GLY A 70 9.027 4.851 -8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.735 5.215 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.723 3.976 -9.543 1.00 0.00 H new ATOM 1117 N SER A 71 11.132 2.506 -11.473 1.00 0.00 N ATOM 1118 CA SER A 71 10.783 1.496 -12.465 1.00 0.00 C ATOM 1119 C SER A 71 10.668 0.120 -11.816 1.00 0.00 C ATOM 1120 O SER A 71 10.939 -0.902 -12.446 1.00 0.00 O ATOM 1121 CB SER A 71 11.829 1.461 -13.582 1.00 0.00 C ATOM 1122 OG SER A 71 13.142 1.541 -13.053 1.00 0.00 O ATOM 0 H SER A 71 12.134 2.611 -11.314 1.00 0.00 H new ATOM 0 HA SER A 71 9.817 1.761 -12.894 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.721 0.542 -14.158 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.659 2.289 -14.270 1.00 0.00 H new ATOM 0 HG SER A 71 13.792 1.515 -13.786 1.00 0.00 H new ATOM 1128 N GLN A 72 10.265 0.108 -10.550 1.00 0.00 N ATOM 1129 CA GLN A 72 10.109 -1.128 -9.798 1.00 0.00 C ATOM 1130 C GLN A 72 8.798 -1.109 -9.019 1.00 0.00 C ATOM 1131 O GLN A 72 8.742 -1.513 -7.858 1.00 0.00 O ATOM 1132 CB GLN A 72 11.290 -1.323 -8.839 1.00 0.00 C ATOM 1133 CG GLN A 72 11.953 -0.025 -8.405 1.00 0.00 C ATOM 1134 CD GLN A 72 13.226 0.266 -9.177 1.00 0.00 C ATOM 1135 OE1 GLN A 72 13.947 -0.648 -9.576 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.508 1.546 -9.391 1.00 0.00 N ATOM 0 H GLN A 72 10.039 0.950 -10.021 1.00 0.00 H new ATOM 0 HA GLN A 72 10.089 -1.961 -10.500 1.00 0.00 H new ATOM 0 HB2 GLN A 72 10.942 -1.855 -7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.035 -1.957 -9.320 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.253 0.799 -8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.182 -0.076 -7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.882 2.271 -9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.351 1.804 -9.904 1.00 0.00 H new ATOM 1145 N ARG A 73 7.747 -0.622 -9.672 1.00 0.00 N ATOM 1146 CA ARG A 73 6.425 -0.528 -9.057 1.00 0.00 C ATOM 1147 C ARG A 73 6.023 -1.842 -8.388 1.00 0.00 C ATOM 1148 O ARG A 73 5.319 -1.843 -7.378 1.00 0.00 O ATOM 1149 CB ARG A 73 5.388 -0.126 -10.110 1.00 0.00 C ATOM 1150 CG ARG A 73 5.034 -1.241 -11.083 1.00 0.00 C ATOM 1151 CD ARG A 73 4.537 -0.685 -12.408 1.00 0.00 C ATOM 1152 NE ARG A 73 5.613 -0.564 -13.389 1.00 0.00 N ATOM 1153 CZ ARG A 73 6.086 -1.585 -14.100 1.00 0.00 C ATOM 1154 NH1 ARG A 73 5.580 -2.803 -13.946 1.00 0.00 N ATOM 1155 NH2 ARG A 73 7.067 -1.389 -14.970 1.00 0.00 N ATOM 0 H ARG A 73 7.785 -0.284 -10.634 1.00 0.00 H new ATOM 0 HA ARG A 73 6.466 0.237 -8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.480 0.204 -9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.767 0.727 -10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.909 -1.867 -11.255 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.267 -1.879 -10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.757 -1.335 -12.804 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.084 0.293 -12.244 1.00 0.00 H new ATOM 0 HE ARG A 73 6.026 0.357 -13.538 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.824 -2.961 -13.280 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.947 -3.581 -14.494 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.459 -0.456 -15.095 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.429 -2.171 -15.515 1.00 0.00 H new ATOM 1169 N ASN A 74 6.473 -2.957 -8.954 1.00 0.00 N ATOM 1170 CA ASN A 74 6.159 -4.273 -8.406 1.00 0.00 C ATOM 1171 C ASN A 74 7.313 -4.794 -7.556 1.00 0.00 C ATOM 1172 O ASN A 74 7.653 -5.977 -7.607 1.00 0.00 O ATOM 1173 CB ASN A 74 5.851 -5.259 -9.535 1.00 0.00 C ATOM 1174 CG ASN A 74 4.383 -5.264 -9.915 1.00 0.00 C ATOM 1175 OD1 ASN A 74 4.029 -5.069 -11.077 1.00 0.00 O ATOM 1176 ND2 ASN A 74 3.519 -5.489 -8.931 1.00 0.00 N ATOM 0 H ASN A 74 7.056 -2.976 -9.791 1.00 0.00 H new ATOM 0 HA ASN A 74 5.278 -4.177 -7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.449 -5.003 -10.410 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.147 -6.262 -9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.518 -5.505 -9.125 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.857 -5.646 -7.981 1.00 0.00 H new ATOM 1183 N GLU A 75 7.916 -3.900 -6.780 1.00 0.00 N ATOM 1184 CA GLU A 75 9.039 -4.261 -5.918 1.00 0.00 C ATOM 1185 C GLU A 75 8.897 -3.652 -4.526 1.00 0.00 C ATOM 1186 O GLU A 75 9.823 -3.722 -3.720 1.00 0.00 O ATOM 1187 CB GLU A 75 10.349 -3.768 -6.533 1.00 0.00 C ATOM 1188 CG GLU A 75 11.538 -4.670 -6.244 1.00 0.00 C ATOM 1189 CD GLU A 75 12.485 -4.781 -7.423 1.00 0.00 C ATOM 1190 OE1 GLU A 75 12.020 -5.130 -8.527 1.00 0.00 O ATOM 1191 OE2 GLU A 75 13.692 -4.517 -7.240 1.00 0.00 O ATOM 0 H GLU A 75 7.646 -2.918 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 75 9.044 -5.347 -5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.224 -3.682 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.563 -2.768 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.081 -4.284 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.179 -5.664 -5.976 1.00 0.00 H new ATOM 1198 N VAL A 76 7.751 -3.032 -4.255 1.00 0.00 N ATOM 1199 CA VAL A 76 7.520 -2.383 -2.968 1.00 0.00 C ATOM 1200 C VAL A 76 6.607 -3.199 -2.061 1.00 0.00 C ATOM 1201 O VAL A 76 5.877 -4.081 -2.513 1.00 0.00 O ATOM 1202 CB VAL A 76 6.939 -0.960 -3.151 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.651 -0.674 -4.618 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.691 -0.732 -2.294 1.00 0.00 C ATOM 0 H VAL A 76 6.970 -2.966 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 76 8.494 -2.310 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 76 7.698 -0.257 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.244 0.332 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.575 -0.751 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.928 -1.398 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.319 0.280 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.921 -1.451 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.944 -0.862 -1.242 1.00 0.00 H new ATOM 1214 N ARG A 77 6.646 -2.866 -0.776 1.00 0.00 N ATOM 1215 CA ARG A 77 5.819 -3.523 0.221 1.00 0.00 C ATOM 1216 C ARG A 77 4.940 -2.498 0.925 1.00 0.00 C ATOM 1217 O ARG A 77 5.392 -1.395 1.243 1.00 0.00 O ATOM 1218 CB ARG A 77 6.693 -4.257 1.238 1.00 0.00 C ATOM 1219 CG ARG A 77 7.337 -5.519 0.688 1.00 0.00 C ATOM 1220 CD ARG A 77 7.570 -6.547 1.781 1.00 0.00 C ATOM 1221 NE ARG A 77 8.891 -7.165 1.680 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.185 -8.155 0.841 1.00 0.00 C ATOM 1223 NH1 ARG A 77 8.258 -8.641 0.024 1.00 0.00 N ATOM 1224 NH2 ARG A 77 10.411 -8.658 0.816 1.00 0.00 N ATOM 0 H ARG A 77 7.250 -2.135 -0.400 1.00 0.00 H new ATOM 0 HA ARG A 77 5.181 -4.253 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.475 -3.582 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.086 -4.517 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.699 -5.947 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.286 -5.268 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 77 7.467 -6.070 2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 77 6.803 -7.319 1.722 1.00 0.00 H new ATOM 0 HE ARG A 77 9.631 -6.817 2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 77 7.314 -8.255 0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.490 -9.400 -0.617 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.128 -8.286 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.638 -9.417 0.173 1.00 0.00 H new ATOM 1238 N PHE A 78 3.688 -2.873 1.170 1.00 0.00 N ATOM 1239 CA PHE A 78 2.740 -2.004 1.854 1.00 0.00 C ATOM 1240 C PHE A 78 2.520 -2.542 3.259 1.00 0.00 C ATOM 1241 O PHE A 78 2.395 -3.747 3.445 1.00 0.00 O ATOM 1242 CB PHE A 78 1.416 -1.938 1.089 1.00 0.00 C ATOM 1243 CG PHE A 78 1.449 -1.005 -0.088 1.00 0.00 C ATOM 1244 CD1 PHE A 78 0.454 -0.059 -0.264 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.474 -1.074 -1.018 1.00 0.00 C ATOM 1246 CE1 PHE A 78 0.479 0.802 -1.345 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.506 -0.215 -2.100 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.507 0.724 -2.264 1.00 0.00 C ATOM 0 H PHE A 78 3.306 -3.780 0.902 1.00 0.00 H new ATOM 0 HA PHE A 78 3.141 -0.992 1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.156 -2.938 0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.627 -1.622 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.352 0.007 0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.257 -1.808 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.304 1.535 -1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.312 -0.278 -2.817 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.529 1.396 -3.109 1.00 0.00 H new ATOM 1258 N PHE A 79 2.526 -1.664 4.252 1.00 0.00 N ATOM 1259 CA PHE A 79 2.369 -2.099 5.642 1.00 0.00 C ATOM 1260 C PHE A 79 1.525 -1.114 6.442 1.00 0.00 C ATOM 1261 O PHE A 79 1.618 0.098 6.249 1.00 0.00 O ATOM 1262 CB PHE A 79 3.752 -2.278 6.285 1.00 0.00 C ATOM 1263 CG PHE A 79 4.863 -2.195 5.279 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.676 -3.282 5.008 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.064 -1.022 4.578 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.669 -3.195 4.054 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.049 -0.923 3.625 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.854 -2.019 3.360 1.00 0.00 C ATOM 0 H PHE A 79 2.636 -0.657 4.129 1.00 0.00 H new ATOM 0 HA PHE A 79 1.844 -3.054 5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.897 -1.513 7.048 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.793 -3.243 6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.532 -4.206 5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.436 -0.168 4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.300 -4.047 3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.195 0.002 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.627 -1.952 2.609 1.00 0.00 H new ATOM 1278 N LEU A 80 0.696 -1.641 7.338 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.167 -0.798 8.157 1.00 0.00 C ATOM 1280 C LEU A 80 0.497 -0.453 9.486 1.00 0.00 C ATOM 1281 O LEU A 80 0.885 -1.338 10.248 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.502 -1.498 8.407 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.740 -0.620 8.212 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.721 0.555 9.178 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.829 -0.134 6.773 1.00 0.00 C ATOM 0 H LEU A 80 0.604 -2.641 7.514 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.343 0.131 7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.575 -2.357 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.507 -1.885 9.426 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.624 -1.221 8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.609 1.167 9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.710 0.183 10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.830 1.157 9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.716 0.489 6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.941 0.449 6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.895 -0.991 6.103 1.00 0.00 H new ATOM 1297 N ARG A 81 0.624 0.844 9.755 1.00 0.00 N ATOM 1298 CA ARG A 81 1.238 1.314 10.991 1.00 0.00 C ATOM 1299 C ARG A 81 0.188 1.889 11.935 1.00 0.00 C ATOM 1300 O ARG A 81 -0.692 2.641 11.517 1.00 0.00 O ATOM 1301 CB ARG A 81 2.300 2.374 10.685 1.00 0.00 C ATOM 1302 CG ARG A 81 3.550 1.810 10.029 1.00 0.00 C ATOM 1303 CD ARG A 81 4.692 1.674 11.025 1.00 0.00 C ATOM 1304 NE ARG A 81 5.544 2.861 11.047 1.00 0.00 N ATOM 1305 CZ ARG A 81 5.463 3.825 11.964 1.00 0.00 C ATOM 1306 NH1 ARG A 81 4.569 3.755 12.944 1.00 0.00 N ATOM 1307 NH2 ARG A 81 6.282 4.866 11.900 1.00 0.00 N ATOM 0 H ARG A 81 0.309 1.588 9.132 1.00 0.00 H new ATOM 0 HA ARG A 81 1.712 0.463 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.867 3.132 10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.580 2.874 11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.326 0.835 9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.857 2.460 9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.285 1.501 12.021 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.293 0.801 10.770 1.00 0.00 H new ATOM 0 HE ARG A 81 6.246 2.958 10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.935 2.958 13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.516 4.499 13.640 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.971 4.927 11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.223 5.605 12.600 1.00 0.00 H new