USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 543 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 46 CYS SG : rot 147:sc= -1.47 USER MOD Set 1.2: A 52 CYS SG : rot 138:sc= 0.321 USER MOD Set 1.3: A 62 CYS SG : rot -158:sc= 1.12 USER MOD Set 1.4: A 65 CYS SG : rot 148:sc= 0.0906 USER MOD Set 2.1: A 10 CYS SG : rot -1:sc= 0.876 USER MOD Set 2.2: A 13 CYS SG : rot -45:sc= 1.24 USER MOD Set 2.3: A 27 CYS SG : rot -129:sc= 1.14 USER MOD Set 2.4: A 30 CYS SG : rot 138:sc= -0.322 USER MOD Set 2.5: A 56 GLN : amide:sc= -8.44! C(o=-5.5!,f=-9.9!) USER MOD Set 3.1: A 26 THR OG1 : rot 171:sc= -0.0917 USER MOD Set 3.2: A 75 MET CE :methyl -159:sc= -2.7 (180deg=-3.49) USER MOD Set 4.1: A 18 SER OG : rot 140:sc= -0.135 USER MOD Set 4.2: A 21 HIS : no HD1:sc= -2.52! C(o=-2.7!,f=-4.3!) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0398 (180deg=-0.26) USER MOD Single : A 17 SER OG : rot -130:sc= 0.0396 USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= -0.0252! (180deg=-1.17) USER MOD Single : A 22 TYR OH : rot -162:sc= 1.17 USER MOD Single : A 24 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.39) USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00231) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -17:sc= 0.655 USER MOD Single : A 41 ASN : amide:sc= -0.613 K(o=-0.61,f=-1.5) USER MOD Single : A 43 THR OG1 : rot -27:sc= 0.473 USER MOD Single : A 44 TYR OH : rot 0:sc= -0.756 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.614 K(o=-0.61,f=-0.0035) USER MOD Single : A 51 ASN : amide:sc= -2.01! K(o=-2!,f=-1.1) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 30:sc= 0.984 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -84:sc= -0.383 USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0592) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.704 15.164 2.726 1.00 0.00 N ATOM 67 CA ILE A 8 -6.258 14.121 3.641 1.00 0.00 C ATOM 68 C ILE A 8 -5.023 13.408 3.102 1.00 0.00 C ATOM 69 O ILE A 8 -4.806 13.352 1.892 1.00 0.00 O ATOM 70 CB ILE A 8 -7.367 13.082 3.894 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.657 13.778 4.334 1.00 0.00 C ATOM 72 CG2 ILE A 8 -6.919 12.073 4.941 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.867 12.870 4.321 1.00 0.00 C ATOM 0 HA ILE A 8 -6.010 14.612 4.582 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.563 12.548 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.521 14.175 5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.844 14.628 3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.713 11.346 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.024 11.559 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.698 12.591 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.745 13.429 4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.028 12.493 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.701 12.033 4.999 1.00 0.00 H new ATOM 85 N GLU A 9 -4.218 12.863 4.008 1.00 0.00 N ATOM 86 CA GLU A 9 -3.004 12.152 3.622 1.00 0.00 C ATOM 87 C GLU A 9 -3.149 10.654 3.872 1.00 0.00 C ATOM 88 O GLU A 9 -4.003 10.221 4.645 1.00 0.00 O ATOM 89 CB GLU A 9 -1.801 12.696 4.395 1.00 0.00 C ATOM 90 CG GLU A 9 -1.455 14.134 4.050 1.00 0.00 C ATOM 91 CD GLU A 9 -2.275 15.137 4.839 1.00 0.00 C ATOM 92 OE1 GLU A 9 -2.514 14.894 6.040 1.00 0.00 O ATOM 93 OE2 GLU A 9 -2.678 16.164 4.254 1.00 0.00 O ATOM 0 H GLU A 9 -4.384 12.900 5.014 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.843 12.311 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.005 12.627 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.935 12.065 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.396 14.305 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.616 14.297 2.984 1.00 0.00 H new ATOM 100 N CYS A 10 -2.307 9.866 3.211 1.00 0.00 N ATOM 101 CA CYS A 10 -2.340 8.416 3.358 1.00 0.00 C ATOM 102 C CYS A 10 -1.683 7.988 4.667 1.00 0.00 C ATOM 103 O CYS A 10 -0.511 8.276 4.910 1.00 0.00 O ATOM 104 CB CYS A 10 -1.634 7.746 2.178 1.00 0.00 C ATOM 105 SG CYS A 10 -1.726 5.927 2.192 1.00 0.00 S ATOM 0 H CYS A 10 -1.593 10.208 2.568 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.383 8.101 3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.072 8.114 1.250 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.586 8.046 2.177 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.375 5.533 3.247 1.00 0.00 H new ATOM 110 N VAL A 11 -2.447 7.298 5.508 1.00 0.00 N ATOM 111 CA VAL A 11 -1.939 6.828 6.792 1.00 0.00 C ATOM 112 C VAL A 11 -0.928 5.702 6.605 1.00 0.00 C ATOM 113 O VAL A 11 -0.427 5.135 7.576 1.00 0.00 O ATOM 114 CB VAL A 11 -3.081 6.332 7.699 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.995 7.485 8.086 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.866 5.226 7.011 1.00 0.00 C ATOM 0 H VAL A 11 -3.420 7.052 5.324 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.448 7.677 7.268 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.646 5.923 8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.796 7.115 8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.421 8.240 8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.424 7.926 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.669 4.888 7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.292 5.606 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.201 4.391 6.791 1.00 0.00 H new ATOM 126 N VAL A 12 -0.632 5.383 5.349 1.00 0.00 N ATOM 127 CA VAL A 12 0.321 4.325 5.033 1.00 0.00 C ATOM 128 C VAL A 12 1.619 4.902 4.481 1.00 0.00 C ATOM 129 O VAL A 12 2.705 4.607 4.981 1.00 0.00 O ATOM 130 CB VAL A 12 -0.262 3.331 4.011 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.757 2.255 3.671 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.546 2.712 4.542 1.00 0.00 C ATOM 0 H VAL A 12 -1.038 5.842 4.534 1.00 0.00 H new ATOM 0 HA VAL A 12 0.528 3.797 5.964 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.499 3.875 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.327 1.562 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.647 2.718 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.029 1.712 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.944 2.012 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.337 2.182 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.278 3.497 4.729 1.00 0.00 H new ATOM 142 N CYS A 13 1.500 5.728 3.447 1.00 0.00 N ATOM 143 CA CYS A 13 2.664 6.348 2.825 1.00 0.00 C ATOM 144 C CYS A 13 2.618 7.866 2.977 1.00 0.00 C ATOM 145 O CYS A 13 3.610 8.555 2.742 1.00 0.00 O ATOM 146 CB CYS A 13 2.737 5.974 1.344 1.00 0.00 C ATOM 147 SG CYS A 13 1.312 6.544 0.362 1.00 0.00 S ATOM 0 H CYS A 13 0.609 5.984 3.022 1.00 0.00 H new ATOM 0 HA CYS A 13 3.556 5.977 3.330 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.649 6.394 0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.814 4.890 1.257 1.00 0.00 H new ATOM 0 HG CYS A 13 0.211 6.282 1.002 1.00 0.00 H new ATOM 152 N GLY A 14 1.457 8.381 3.370 1.00 0.00 N ATOM 153 CA GLY A 14 1.302 9.813 3.546 1.00 0.00 C ATOM 154 C GLY A 14 0.714 10.487 2.322 1.00 0.00 C ATOM 155 O GLY A 14 0.244 11.623 2.397 1.00 0.00 O ATOM 0 H GLY A 14 0.621 7.832 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.659 10.003 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.273 10.256 3.770 1.00 0.00 H new ATOM 159 N ASP A 15 0.742 9.788 1.193 1.00 0.00 N ATOM 160 CA ASP A 15 0.208 10.326 -0.053 1.00 0.00 C ATOM 161 C ASP A 15 -1.212 10.847 0.145 1.00 0.00 C ATOM 162 O ASP A 15 -2.028 10.217 0.818 1.00 0.00 O ATOM 163 CB ASP A 15 0.225 9.255 -1.144 1.00 0.00 C ATOM 164 CG ASP A 15 -0.130 9.814 -2.509 1.00 0.00 C ATOM 165 OD1 ASP A 15 -0.013 11.043 -2.695 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.523 9.021 -3.390 1.00 0.00 O ATOM 0 H ASP A 15 1.129 8.847 1.115 1.00 0.00 H new ATOM 0 HA ASP A 15 0.841 11.158 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.214 8.800 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.479 8.464 -0.884 1.00 0.00 H new ATOM 171 N LYS A 16 -1.501 12.001 -0.446 1.00 0.00 N ATOM 172 CA LYS A 16 -2.822 12.608 -0.336 1.00 0.00 C ATOM 173 C LYS A 16 -3.918 11.559 -0.495 1.00 0.00 C ATOM 174 O LYS A 16 -4.279 11.188 -1.611 1.00 0.00 O ATOM 175 CB LYS A 16 -2.993 13.702 -1.393 1.00 0.00 C ATOM 176 CG LYS A 16 -4.186 14.608 -1.143 1.00 0.00 C ATOM 177 CD LYS A 16 -5.434 14.093 -1.840 1.00 0.00 C ATOM 178 CE LYS A 16 -6.605 15.048 -1.666 1.00 0.00 C ATOM 179 NZ LYS A 16 -6.338 16.373 -2.292 1.00 0.00 N ATOM 0 H LYS A 16 -0.837 12.535 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.908 13.052 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.088 14.308 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.100 13.236 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.371 14.680 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.960 15.614 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.229 13.957 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.698 13.115 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.499 14.610 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.809 15.183 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.227 16.908 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.661 16.903 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.940 16.234 -3.243 1.00 0.00 H new ATOM 193 N SER A 17 -4.444 11.085 0.630 1.00 0.00 N ATOM 194 CA SER A 17 -5.497 10.076 0.616 1.00 0.00 C ATOM 195 C SER A 17 -6.593 10.449 -0.377 1.00 0.00 C ATOM 196 O SER A 17 -6.978 11.613 -0.486 1.00 0.00 O ATOM 197 CB SER A 17 -6.095 9.913 2.015 1.00 0.00 C ATOM 198 OG SER A 17 -7.333 9.225 1.964 1.00 0.00 O ATOM 0 H SER A 17 -4.158 11.383 1.563 1.00 0.00 H new ATOM 0 HA SER A 17 -5.055 9.129 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.398 9.367 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.239 10.894 2.469 1.00 0.00 H new ATOM 0 HG SER A 17 -8.006 9.725 2.470 1.00 0.00 H new ATOM 204 N SER A 18 -7.092 9.452 -1.101 1.00 0.00 N ATOM 205 CA SER A 18 -8.141 9.674 -2.089 1.00 0.00 C ATOM 206 C SER A 18 -9.522 9.512 -1.460 1.00 0.00 C ATOM 207 O SER A 18 -10.504 9.249 -2.153 1.00 0.00 O ATOM 208 CB SER A 18 -7.983 8.702 -3.259 1.00 0.00 C ATOM 209 OG SER A 18 -8.330 7.382 -2.876 1.00 0.00 O ATOM 0 H SER A 18 -6.786 8.482 -1.022 1.00 0.00 H new ATOM 0 HA SER A 18 -8.047 10.695 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.614 9.021 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.953 8.722 -3.616 1.00 0.00 H new ATOM 0 HG SER A 18 -8.829 6.951 -3.601 1.00 0.00 H new ATOM 215 N GLY A 19 -9.588 9.670 -0.142 1.00 0.00 N ATOM 216 CA GLY A 19 -10.852 9.537 0.559 1.00 0.00 C ATOM 217 C GLY A 19 -10.870 8.350 1.501 1.00 0.00 C ATOM 218 O GLY A 19 -9.895 7.604 1.592 1.00 0.00 O ATOM 0 H GLY A 19 -8.789 9.888 0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.048 10.448 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.658 9.433 -0.168 1.00 0.00 H new ATOM 222 N LYS A 20 -11.982 8.175 2.208 1.00 0.00 N ATOM 223 CA LYS A 20 -12.124 7.071 3.149 1.00 0.00 C ATOM 224 C LYS A 20 -12.142 5.732 2.419 1.00 0.00 C ATOM 225 O LYS A 20 -13.075 5.432 1.674 1.00 0.00 O ATOM 226 CB LYS A 20 -13.407 7.234 3.968 1.00 0.00 C ATOM 227 CG LYS A 20 -13.451 6.361 5.210 1.00 0.00 C ATOM 228 CD LYS A 20 -12.973 7.116 6.439 1.00 0.00 C ATOM 229 CE LYS A 20 -11.475 7.373 6.387 1.00 0.00 C ATOM 230 NZ LYS A 20 -10.882 7.475 7.750 1.00 0.00 N ATOM 0 H LYS A 20 -12.798 8.784 2.147 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.266 7.087 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.509 8.278 4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.263 6.997 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.469 6.008 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.828 5.479 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.504 8.065 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.214 6.545 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.987 6.568 5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.283 8.295 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.490 8.429 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.618 7.297 8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.123 6.771 7.852 1.00 0.00 H new ATOM 244 N HIS A 21 -11.105 4.930 2.638 1.00 0.00 N ATOM 245 CA HIS A 21 -11.002 3.621 2.002 1.00 0.00 C ATOM 246 C HIS A 21 -10.813 2.523 3.045 1.00 0.00 C ATOM 247 O HIS A 21 -9.905 2.590 3.873 1.00 0.00 O ATOM 248 CB HIS A 21 -9.840 3.603 1.009 1.00 0.00 C ATOM 249 CG HIS A 21 -10.218 4.067 -0.364 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.439 3.792 -0.942 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.528 4.793 -1.274 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.484 4.327 -2.149 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.336 4.941 -2.374 1.00 0.00 N ATOM 0 H HIS A 21 -10.324 5.163 3.251 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.932 3.431 1.465 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.038 4.236 1.389 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.443 2.590 0.945 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.528 5.183 -1.157 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.317 4.272 -2.835 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -10.090 5.444 -3.227 1.00 0.00 H new ATOM 261 N TYR A 22 -11.677 1.515 2.998 1.00 0.00 N ATOM 262 CA TYR A 22 -11.607 0.405 3.941 1.00 0.00 C ATOM 263 C TYR A 22 -11.715 0.903 5.379 1.00 0.00 C ATOM 264 O TYR A 22 -11.122 0.331 6.292 1.00 0.00 O ATOM 265 CB TYR A 22 -10.300 -0.368 3.754 1.00 0.00 C ATOM 266 CG TYR A 22 -10.013 -0.735 2.316 1.00 0.00 C ATOM 267 CD1 TYR A 22 -10.748 -1.722 1.669 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.009 -0.093 1.602 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.488 -2.060 0.355 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.743 -0.424 0.287 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.485 -1.408 -0.331 1.00 0.00 C ATOM 272 OH TYR A 22 -9.225 -1.741 -1.641 1.00 0.00 O ATOM 0 H TYR A 22 -12.433 1.444 2.318 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.447 -0.260 3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.475 0.232 4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.338 -1.279 4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.536 -2.233 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.426 0.678 2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.067 -2.831 -0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.959 0.085 -0.253 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.335 -1.416 -1.891 1.00 0.00 H new ATOM 282 N GLY A 23 -12.479 1.974 5.571 1.00 0.00 N ATOM 283 CA GLY A 23 -12.653 2.533 6.899 1.00 0.00 C ATOM 284 C GLY A 23 -11.451 3.338 7.351 1.00 0.00 C ATOM 285 O GLY A 23 -11.315 3.649 8.534 1.00 0.00 O ATOM 0 H GLY A 23 -12.981 2.465 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.537 3.170 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.834 1.726 7.609 1.00 0.00 H new ATOM 289 N GLN A 24 -10.577 3.674 6.408 1.00 0.00 N ATOM 290 CA GLN A 24 -9.379 4.446 6.718 1.00 0.00 C ATOM 291 C GLN A 24 -8.933 5.265 5.511 1.00 0.00 C ATOM 292 O GLN A 24 -8.938 4.778 4.381 1.00 0.00 O ATOM 293 CB GLN A 24 -8.249 3.517 7.164 1.00 0.00 C ATOM 294 CG GLN A 24 -7.260 4.175 8.113 1.00 0.00 C ATOM 295 CD GLN A 24 -7.906 4.634 9.405 1.00 0.00 C ATOM 296 OE1 GLN A 24 -7.965 5.829 9.692 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.396 3.683 10.192 1.00 0.00 N ATOM 0 H GLN A 24 -10.676 3.424 5.424 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.619 5.131 7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.680 2.642 7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.714 3.161 6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.459 3.472 8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.801 5.030 7.617 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.325 2.704 9.914 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.843 3.931 11.074 1.00 0.00 H new ATOM 306 N PHE A 25 -8.548 6.513 5.759 1.00 0.00 N ATOM 307 CA PHE A 25 -8.099 7.401 4.692 1.00 0.00 C ATOM 308 C PHE A 25 -6.766 6.930 4.118 1.00 0.00 C ATOM 309 O PHE A 25 -5.751 6.903 4.814 1.00 0.00 O ATOM 310 CB PHE A 25 -7.966 8.833 5.215 1.00 0.00 C ATOM 311 CG PHE A 25 -9.285 9.521 5.423 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.155 9.713 4.362 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.654 9.975 6.679 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.370 10.346 4.550 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.867 10.607 6.873 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.726 10.794 5.807 1.00 0.00 C ATOM 0 H PHE A 25 -8.538 6.932 6.689 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.844 7.380 3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.421 8.817 6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.369 9.414 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.881 9.364 3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.986 9.833 7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.040 10.490 3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.144 10.955 7.857 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.674 11.290 5.956 1.00 0.00 H new ATOM 326 N THR A 26 -6.777 6.560 2.841 1.00 0.00 N ATOM 327 CA THR A 26 -5.571 6.089 2.171 1.00 0.00 C ATOM 328 C THR A 26 -5.576 6.473 0.696 1.00 0.00 C ATOM 329 O THR A 26 -6.633 6.566 0.071 1.00 0.00 O ATOM 330 CB THR A 26 -5.422 4.561 2.292 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.644 3.918 1.914 1.00 0.00 O ATOM 332 CG2 THR A 26 -5.053 4.164 3.714 1.00 0.00 C ATOM 0 H THR A 26 -7.608 6.577 2.250 1.00 0.00 H new ATOM 0 HA THR A 26 -4.726 6.569 2.665 1.00 0.00 H new ATOM 0 HB THR A 26 -4.622 4.242 1.623 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.499 2.951 1.853 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.953 3.080 3.775 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.107 4.631 3.988 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.834 4.496 4.399 1.00 0.00 H new ATOM 340 N CYS A 27 -4.388 6.694 0.143 1.00 0.00 N ATOM 341 CA CYS A 27 -4.254 7.068 -1.259 1.00 0.00 C ATOM 342 C CYS A 27 -4.707 5.930 -2.171 1.00 0.00 C ATOM 343 O CYS A 27 -5.064 4.851 -1.701 1.00 0.00 O ATOM 344 CB CYS A 27 -2.804 7.441 -1.573 1.00 0.00 C ATOM 345 SG CYS A 27 -1.649 6.033 -1.539 1.00 0.00 S ATOM 0 H CYS A 27 -3.504 6.620 0.646 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.892 7.933 -1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.765 7.905 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.469 8.189 -0.855 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.632 6.324 -0.784 1.00 0.00 H new ATOM 350 N GLU A 28 -4.687 6.182 -3.476 1.00 0.00 N ATOM 351 CA GLU A 28 -5.097 5.179 -4.452 1.00 0.00 C ATOM 352 C GLU A 28 -4.018 4.112 -4.621 1.00 0.00 C ATOM 353 O GLU A 28 -4.306 2.979 -5.003 1.00 0.00 O ATOM 354 CB GLU A 28 -5.392 5.839 -5.801 1.00 0.00 C ATOM 355 CG GLU A 28 -6.328 7.031 -5.703 1.00 0.00 C ATOM 356 CD GLU A 28 -5.588 8.340 -5.510 1.00 0.00 C ATOM 357 OE1 GLU A 28 -4.412 8.300 -5.089 1.00 0.00 O ATOM 358 OE2 GLU A 28 -6.183 9.405 -5.778 1.00 0.00 O ATOM 0 H GLU A 28 -4.392 7.070 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.004 4.700 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.453 6.161 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.829 5.098 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.932 7.089 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.016 6.881 -4.871 1.00 0.00 H new ATOM 365 N GLY A 29 -2.775 4.485 -4.332 1.00 0.00 N ATOM 366 CA GLY A 29 -1.672 3.550 -4.458 1.00 0.00 C ATOM 367 C GLY A 29 -1.747 2.425 -3.444 1.00 0.00 C ATOM 368 O GLY A 29 -1.481 1.267 -3.769 1.00 0.00 O ATOM 0 H GLY A 29 -2.512 5.418 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.669 3.129 -5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.730 4.085 -4.334 1.00 0.00 H new ATOM 372 N CYS A 30 -2.109 2.765 -2.212 1.00 0.00 N ATOM 373 CA CYS A 30 -2.216 1.776 -1.146 1.00 0.00 C ATOM 374 C CYS A 30 -3.585 1.103 -1.163 1.00 0.00 C ATOM 375 O CYS A 30 -3.699 -0.104 -0.948 1.00 0.00 O ATOM 376 CB CYS A 30 -1.976 2.434 0.215 1.00 0.00 C ATOM 377 SG CYS A 30 -0.332 3.199 0.392 1.00 0.00 S ATOM 0 H CYS A 30 -2.333 3.718 -1.927 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.454 1.015 -1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.739 3.196 0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.102 1.684 0.996 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.449 4.345 0.995 1.00 0.00 H new ATOM 382 N LYS A 31 -4.622 1.892 -1.423 1.00 0.00 N ATOM 383 CA LYS A 31 -5.985 1.374 -1.471 1.00 0.00 C ATOM 384 C LYS A 31 -6.043 0.069 -2.259 1.00 0.00 C ATOM 385 O LYS A 31 -6.660 -0.903 -1.823 1.00 0.00 O ATOM 386 CB LYS A 31 -6.922 2.406 -2.102 1.00 0.00 C ATOM 387 CG LYS A 31 -8.300 1.856 -2.429 1.00 0.00 C ATOM 388 CD LYS A 31 -8.912 2.563 -3.627 1.00 0.00 C ATOM 389 CE LYS A 31 -8.237 2.146 -4.924 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.686 0.801 -5.377 1.00 0.00 N ATOM 0 H LYS A 31 -4.545 2.893 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.309 1.175 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.029 3.251 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.466 2.788 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.227 0.788 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.954 1.971 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.977 2.336 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.822 3.642 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.454 2.881 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.156 2.140 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.215 0.561 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.441 0.092 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.716 0.808 -5.519 1.00 0.00 H new ATOM 404 N SER A 32 -5.397 0.055 -3.420 1.00 0.00 N ATOM 405 CA SER A 32 -5.378 -1.130 -4.270 1.00 0.00 C ATOM 406 C SER A 32 -4.344 -2.136 -3.775 1.00 0.00 C ATOM 407 O SER A 32 -4.618 -3.334 -3.690 1.00 0.00 O ATOM 408 CB SER A 32 -5.076 -0.740 -5.718 1.00 0.00 C ATOM 409 OG SER A 32 -5.433 -1.780 -6.612 1.00 0.00 O ATOM 0 H SER A 32 -4.880 0.851 -3.794 1.00 0.00 H new ATOM 0 HA SER A 32 -6.363 -1.596 -4.225 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.622 0.168 -5.975 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.015 -0.514 -5.823 1.00 0.00 H new ATOM 0 HG SER A 32 -5.232 -1.505 -7.531 1.00 0.00 H new ATOM 415 N PHE A 33 -3.155 -1.641 -3.450 1.00 0.00 N ATOM 416 CA PHE A 33 -2.078 -2.496 -2.965 1.00 0.00 C ATOM 417 C PHE A 33 -2.535 -3.317 -1.762 1.00 0.00 C ATOM 418 O PHE A 33 -2.040 -4.419 -1.524 1.00 0.00 O ATOM 419 CB PHE A 33 -0.859 -1.652 -2.586 1.00 0.00 C ATOM 420 CG PHE A 33 0.213 -2.431 -1.879 1.00 0.00 C ATOM 421 CD1 PHE A 33 1.112 -3.205 -2.594 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.322 -2.388 -0.498 1.00 0.00 C ATOM 423 CE1 PHE A 33 2.099 -3.923 -1.946 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.308 -3.103 0.156 1.00 0.00 C ATOM 425 CZ PHE A 33 2.198 -3.871 -0.569 1.00 0.00 C ATOM 0 H PHE A 33 -2.913 -0.652 -3.514 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.803 -3.181 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.439 -1.209 -3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.181 -0.830 -1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.041 -3.248 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.371 -1.789 0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.792 -4.524 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.382 -3.061 1.233 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.970 -4.430 -0.061 1.00 0.00 H new ATOM 435 N PHE A 34 -3.483 -2.772 -1.007 1.00 0.00 N ATOM 436 CA PHE A 34 -4.006 -3.452 0.172 1.00 0.00 C ATOM 437 C PHE A 34 -4.930 -4.599 -0.227 1.00 0.00 C ATOM 438 O PHE A 34 -4.755 -5.735 0.214 1.00 0.00 O ATOM 439 CB PHE A 34 -4.759 -2.463 1.065 1.00 0.00 C ATOM 440 CG PHE A 34 -5.410 -3.106 2.256 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.651 -3.795 3.188 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.780 -3.022 2.443 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.247 -4.388 4.286 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.381 -3.613 3.538 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.614 -4.297 4.460 1.00 0.00 C ATOM 0 H PHE A 34 -3.905 -1.862 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.163 -3.864 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.065 -1.696 1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.522 -1.959 0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.582 -3.870 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.385 -2.489 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.644 -4.921 5.006 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.450 -3.540 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.082 -4.760 5.316 1.00 0.00 H new ATOM 455 N LYS A 35 -5.915 -4.294 -1.065 1.00 0.00 N ATOM 456 CA LYS A 35 -6.867 -5.297 -1.526 1.00 0.00 C ATOM 457 C LYS A 35 -6.156 -6.412 -2.288 1.00 0.00 C ATOM 458 O LYS A 35 -6.169 -7.569 -1.869 1.00 0.00 O ATOM 459 CB LYS A 35 -7.928 -4.651 -2.419 1.00 0.00 C ATOM 460 CG LYS A 35 -8.665 -5.642 -3.303 1.00 0.00 C ATOM 461 CD LYS A 35 -9.182 -4.982 -4.570 1.00 0.00 C ATOM 462 CE LYS A 35 -9.845 -3.647 -4.273 1.00 0.00 C ATOM 463 NZ LYS A 35 -10.797 -3.249 -5.347 1.00 0.00 N ATOM 0 H LYS A 35 -6.075 -3.359 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.352 -5.730 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.651 -4.130 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.452 -3.899 -3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.998 -6.463 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.499 -6.074 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.357 -4.832 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.897 -5.643 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.375 -3.708 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.080 -2.878 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.228 -2.333 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.287 -3.166 -6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.542 -3.970 -5.435 1.00 0.00 H new ATOM 477 N ARG A 36 -5.537 -6.054 -3.408 1.00 0.00 N ATOM 478 CA ARG A 36 -4.821 -7.025 -4.228 1.00 0.00 C ATOM 479 C ARG A 36 -4.162 -8.091 -3.358 1.00 0.00 C ATOM 480 O ARG A 36 -4.029 -9.245 -3.766 1.00 0.00 O ATOM 481 CB ARG A 36 -3.763 -6.322 -5.081 1.00 0.00 C ATOM 482 CG ARG A 36 -2.631 -5.714 -4.268 1.00 0.00 C ATOM 483 CD ARG A 36 -1.424 -5.404 -5.139 1.00 0.00 C ATOM 484 NE ARG A 36 -1.723 -4.395 -6.151 1.00 0.00 N ATOM 485 CZ ARG A 36 -0.794 -3.669 -6.763 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.487 -3.840 -6.467 1.00 0.00 N ATOM 487 NH2 ARG A 36 -1.145 -2.770 -7.673 1.00 0.00 N ATOM 0 H ARG A 36 -5.517 -5.100 -3.768 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.543 -7.512 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.346 -7.037 -5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.242 -5.536 -5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.978 -4.800 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.341 -6.402 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.604 -5.055 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.085 -6.318 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.699 -4.239 -6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.761 -4.530 -5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.198 -3.281 -6.938 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.129 -2.635 -7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.430 -2.213 -8.142 1.00 0.00 H new ATOM 501 N SER A 37 -3.751 -7.696 -2.157 1.00 0.00 N ATOM 502 CA SER A 37 -3.102 -8.617 -1.230 1.00 0.00 C ATOM 503 C SER A 37 -4.120 -9.234 -0.276 1.00 0.00 C ATOM 504 O SER A 37 -4.049 -10.421 0.044 1.00 0.00 O ATOM 505 CB SER A 37 -2.015 -7.892 -0.435 1.00 0.00 C ATOM 506 OG SER A 37 -2.553 -6.794 0.282 1.00 0.00 O ATOM 0 H SER A 37 -3.856 -6.745 -1.803 1.00 0.00 H new ATOM 0 HA SER A 37 -2.644 -9.417 -1.812 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.543 -8.587 0.259 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.237 -7.541 -1.113 1.00 0.00 H new ATOM 0 HG SER A 37 -3.429 -6.559 -0.089 1.00 0.00 H new ATOM 512 N VAL A 38 -5.067 -8.419 0.177 1.00 0.00 N ATOM 513 CA VAL A 38 -6.101 -8.883 1.095 1.00 0.00 C ATOM 514 C VAL A 38 -7.075 -9.824 0.394 1.00 0.00 C ATOM 515 O VAL A 38 -7.202 -10.991 0.765 1.00 0.00 O ATOM 516 CB VAL A 38 -6.887 -7.704 1.698 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.153 -8.200 2.381 1.00 0.00 C ATOM 518 CG2 VAL A 38 -6.015 -6.926 2.672 1.00 0.00 C ATOM 0 H VAL A 38 -5.140 -7.434 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.595 -9.420 1.897 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.178 -7.032 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.695 -7.353 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.784 -8.710 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.888 -8.893 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.586 -6.096 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.692 -7.585 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.141 -6.538 2.148 1.00 0.00 H new ATOM 528 N ARG A 39 -7.761 -9.308 -0.620 1.00 0.00 N ATOM 529 CA ARG A 39 -8.725 -10.102 -1.373 1.00 0.00 C ATOM 530 C ARG A 39 -8.081 -11.380 -1.902 1.00 0.00 C ATOM 531 O ARG A 39 -8.754 -12.394 -2.091 1.00 0.00 O ATOM 532 CB ARG A 39 -9.294 -9.286 -2.535 1.00 0.00 C ATOM 533 CG ARG A 39 -8.320 -9.108 -3.689 1.00 0.00 C ATOM 534 CD ARG A 39 -8.451 -10.232 -4.706 1.00 0.00 C ATOM 535 NE ARG A 39 -9.760 -10.233 -5.354 1.00 0.00 N ATOM 536 CZ ARG A 39 -10.068 -11.009 -6.387 1.00 0.00 C ATOM 537 NH1 ARG A 39 -9.166 -11.844 -6.885 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.280 -10.953 -6.923 1.00 0.00 N ATOM 0 H ARG A 39 -7.667 -8.344 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.537 -10.376 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.196 -9.775 -2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.591 -8.304 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.503 -8.151 -4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.300 -9.080 -3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.672 -10.130 -5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.291 -11.190 -4.211 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.477 -9.603 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.233 -11.891 -6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.405 -12.439 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.977 -10.313 -6.542 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.515 -11.550 -7.716 1.00 0.00 H new ATOM 552 N ARG A 40 -6.775 -11.324 -2.140 1.00 0.00 N ATOM 553 CA ARG A 40 -6.041 -12.476 -2.650 1.00 0.00 C ATOM 554 C ARG A 40 -5.478 -13.312 -1.504 1.00 0.00 C ATOM 555 O ARG A 40 -5.168 -14.490 -1.676 1.00 0.00 O ATOM 556 CB ARG A 40 -4.906 -12.019 -3.568 1.00 0.00 C ATOM 557 CG ARG A 40 -5.387 -11.406 -4.872 1.00 0.00 C ATOM 558 CD ARG A 40 -4.262 -11.310 -5.891 1.00 0.00 C ATOM 559 NE ARG A 40 -3.833 -12.626 -6.358 1.00 0.00 N ATOM 560 CZ ARG A 40 -4.470 -13.316 -7.297 1.00 0.00 C ATOM 561 NH1 ARG A 40 -5.557 -12.818 -7.868 1.00 0.00 N ATOM 562 NH2 ARG A 40 -4.018 -14.507 -7.668 1.00 0.00 N ATOM 0 H ARG A 40 -6.203 -10.493 -1.988 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.734 -13.093 -3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.293 -11.290 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.265 -12.872 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.199 -12.008 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.792 -10.412 -4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.593 -10.714 -6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.414 -10.789 -5.447 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.999 -13.037 -5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.907 -11.902 -7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.044 -13.351 -8.589 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.181 -14.893 -7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.508 -15.036 -8.389 1.00 0.00 H new ATOM 576 N ASN A 41 -5.348 -12.693 -0.335 1.00 0.00 N ATOM 577 CA ASN A 41 -4.821 -13.379 0.839 1.00 0.00 C ATOM 578 C ASN A 41 -3.339 -13.698 0.664 1.00 0.00 C ATOM 579 O ASN A 41 -2.887 -14.798 0.984 1.00 0.00 O ATOM 580 CB ASN A 41 -5.604 -14.668 1.096 1.00 0.00 C ATOM 581 CG ASN A 41 -7.087 -14.508 0.821 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.722 -13.571 1.304 1.00 0.00 O ATOM 583 ND2 ASN A 41 -7.646 -15.426 0.040 1.00 0.00 N ATOM 0 H ASN A 41 -5.600 -11.718 -0.176 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.933 -12.716 1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.205 -15.464 0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.460 -14.977 2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.640 -15.371 -0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.081 -16.186 -0.339 1.00 0.00 H new ATOM 590 N LEU A 42 -2.588 -12.728 0.153 1.00 0.00 N ATOM 591 CA LEU A 42 -1.156 -12.904 -0.064 1.00 0.00 C ATOM 592 C LEU A 42 -0.377 -12.671 1.226 1.00 0.00 C ATOM 593 O LEU A 42 -0.947 -12.296 2.250 1.00 0.00 O ATOM 594 CB LEU A 42 -0.664 -11.947 -1.152 1.00 0.00 C ATOM 595 CG LEU A 42 -1.566 -11.806 -2.379 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.039 -10.721 -3.305 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.675 -13.132 -3.116 1.00 0.00 C ATOM 0 H LEU A 42 -2.947 -11.812 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.986 -13.931 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.532 -10.961 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.319 -12.281 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.562 -11.517 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.693 -10.634 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.013 -9.770 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.033 -10.980 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.321 -13.013 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.684 -13.451 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.098 -13.884 -2.451 1.00 0.00 H new ATOM 609 N THR A 43 0.933 -12.893 1.168 1.00 0.00 N ATOM 610 CA THR A 43 1.792 -12.706 2.331 1.00 0.00 C ATOM 611 C THR A 43 3.252 -12.560 1.918 1.00 0.00 C ATOM 612 O THR A 43 3.903 -13.537 1.548 1.00 0.00 O ATOM 613 CB THR A 43 1.664 -13.881 3.318 1.00 0.00 C ATOM 614 OG1 THR A 43 0.283 -14.152 3.581 1.00 0.00 O ATOM 615 CG2 THR A 43 2.382 -13.571 4.623 1.00 0.00 C ATOM 0 H THR A 43 1.422 -13.202 0.328 1.00 0.00 H new ATOM 0 HA THR A 43 1.464 -11.791 2.823 1.00 0.00 H new ATOM 0 HB THR A 43 2.126 -14.759 2.866 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.240 -13.332 3.462 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.278 -14.415 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.439 -13.394 4.424 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.944 -12.682 5.077 1.00 0.00 H new ATOM 623 N TYR A 44 3.761 -11.335 1.984 1.00 0.00 N ATOM 624 CA TYR A 44 5.145 -11.061 1.615 1.00 0.00 C ATOM 625 C TYR A 44 6.065 -11.184 2.825 1.00 0.00 C ATOM 626 O TYR A 44 5.704 -10.799 3.938 1.00 0.00 O ATOM 627 CB TYR A 44 5.266 -9.663 1.008 1.00 0.00 C ATOM 628 CG TYR A 44 4.063 -9.252 0.189 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.887 -9.722 -1.107 1.00 0.00 C ATOM 630 CD2 TYR A 44 3.103 -8.394 0.710 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.790 -9.349 -1.860 1.00 0.00 C ATOM 632 CE2 TYR A 44 2.002 -8.017 -0.035 1.00 0.00 C ATOM 633 CZ TYR A 44 1.850 -8.497 -1.319 1.00 0.00 C ATOM 634 OH TYR A 44 0.756 -8.123 -2.064 1.00 0.00 O ATOM 0 H TYR A 44 3.236 -10.516 2.290 1.00 0.00 H new ATOM 0 HA TYR A 44 5.450 -11.799 0.873 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.413 -8.939 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.154 -9.625 0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.620 -10.390 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.219 -8.015 1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.669 -9.722 -2.866 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.264 -7.350 0.386 1.00 0.00 H new ATOM 0 HH TYR A 44 0.800 -8.547 -2.946 1.00 0.00 H new ATOM 644 N THR A 45 7.260 -11.722 2.600 1.00 0.00 N ATOM 645 CA THR A 45 8.234 -11.896 3.670 1.00 0.00 C ATOM 646 C THR A 45 9.293 -10.800 3.634 1.00 0.00 C ATOM 647 O THR A 45 10.243 -10.866 2.853 1.00 0.00 O ATOM 648 CB THR A 45 8.928 -13.268 3.580 1.00 0.00 C ATOM 649 OG1 THR A 45 7.954 -14.316 3.653 1.00 0.00 O ATOM 650 CG2 THR A 45 9.945 -13.435 4.699 1.00 0.00 C ATOM 0 H THR A 45 7.576 -12.045 1.686 1.00 0.00 H new ATOM 0 HA THR A 45 7.685 -11.836 4.610 1.00 0.00 H new ATOM 0 HB THR A 45 9.450 -13.324 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.403 -15.185 3.593 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.422 -14.411 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.701 -12.654 4.623 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.441 -13.360 5.663 1.00 0.00 H new ATOM 658 N CYS A 46 9.125 -9.793 4.483 1.00 0.00 N ATOM 659 CA CYS A 46 10.066 -8.682 4.549 1.00 0.00 C ATOM 660 C CYS A 46 11.467 -9.176 4.899 1.00 0.00 C ATOM 661 O CYS A 46 11.726 -9.592 6.028 1.00 0.00 O ATOM 662 CB CYS A 46 9.603 -7.654 5.584 1.00 0.00 C ATOM 663 SG CYS A 46 10.853 -6.392 5.989 1.00 0.00 S ATOM 0 H CYS A 46 8.345 -9.723 5.136 1.00 0.00 H new ATOM 0 HA CYS A 46 10.100 -8.209 3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.708 -7.157 5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.320 -8.176 6.498 1.00 0.00 H new ATOM 0 HG CYS A 46 10.262 -5.264 6.249 1.00 0.00 H new ATOM 668 N ARG A 47 12.367 -9.126 3.921 1.00 0.00 N ATOM 669 CA ARG A 47 13.741 -9.569 4.125 1.00 0.00 C ATOM 670 C ARG A 47 14.429 -8.731 5.198 1.00 0.00 C ATOM 671 O ARG A 47 15.477 -9.111 5.719 1.00 0.00 O ATOM 672 CB ARG A 47 14.525 -9.484 2.814 1.00 0.00 C ATOM 673 CG ARG A 47 15.927 -10.066 2.905 1.00 0.00 C ATOM 674 CD ARG A 47 15.896 -11.585 2.972 1.00 0.00 C ATOM 675 NE ARG A 47 17.225 -12.167 2.807 1.00 0.00 N ATOM 676 CZ ARG A 47 18.106 -12.278 3.795 1.00 0.00 C ATOM 677 NH1 ARG A 47 17.800 -11.849 5.012 1.00 0.00 N ATOM 678 NH2 ARG A 47 19.296 -12.819 3.567 1.00 0.00 N ATOM 0 H ARG A 47 12.169 -8.783 2.981 1.00 0.00 H new ATOM 0 HA ARG A 47 13.717 -10.606 4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.972 -10.009 2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.593 -8.440 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.510 -9.751 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.429 -9.672 3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.480 -11.897 3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.233 -11.969 2.196 1.00 0.00 H new ATOM 0 HE ARG A 47 17.491 -12.507 1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.886 -11.433 5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.478 -11.935 5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 47 19.535 -13.150 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.972 -12.904 4.326 1.00 0.00 H new ATOM 692 N ALA A 48 13.832 -7.589 5.523 1.00 0.00 N ATOM 693 CA ALA A 48 14.386 -6.698 6.535 1.00 0.00 C ATOM 694 C ALA A 48 13.793 -6.991 7.909 1.00 0.00 C ATOM 695 O ALA A 48 13.071 -7.971 8.087 1.00 0.00 O ATOM 696 CB ALA A 48 14.142 -5.247 6.150 1.00 0.00 C ATOM 0 H ALA A 48 12.964 -7.259 5.100 1.00 0.00 H new ATOM 0 HA ALA A 48 15.461 -6.872 6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.561 -4.592 6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.620 -5.039 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.070 -5.068 6.067 1.00 0.00 H new ATOM 702 N ASN A 49 14.102 -6.134 8.877 1.00 0.00 N ATOM 703 CA ASN A 49 13.600 -6.302 10.235 1.00 0.00 C ATOM 704 C ASN A 49 12.159 -5.814 10.347 1.00 0.00 C ATOM 705 O ASN A 49 11.753 -5.277 11.378 1.00 0.00 O ATOM 706 CB ASN A 49 14.486 -5.544 11.226 1.00 0.00 C ATOM 707 CG ASN A 49 15.879 -6.135 11.326 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.234 -6.751 12.331 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.676 -5.949 10.280 1.00 0.00 N ATOM 0 H ASN A 49 14.698 -5.316 8.746 1.00 0.00 H new ATOM 0 HA ASN A 49 13.624 -7.365 10.476 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.558 -4.500 10.920 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.018 -5.556 12.210 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.625 -6.323 10.289 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.339 -5.432 9.468 1.00 0.00 H new ATOM 716 N ARG A 50 11.391 -6.004 9.279 1.00 0.00 N ATOM 717 CA ARG A 50 9.996 -5.582 9.257 1.00 0.00 C ATOM 718 C ARG A 50 9.834 -4.206 9.896 1.00 0.00 C ATOM 719 O ARG A 50 8.870 -3.956 10.618 1.00 0.00 O ATOM 720 CB ARG A 50 9.121 -6.602 9.988 1.00 0.00 C ATOM 721 CG ARG A 50 9.176 -7.996 9.384 1.00 0.00 C ATOM 722 CD ARG A 50 8.540 -9.027 10.303 1.00 0.00 C ATOM 723 NE ARG A 50 7.281 -8.552 10.869 1.00 0.00 N ATOM 724 CZ ARG A 50 7.193 -7.898 12.022 1.00 0.00 C ATOM 725 NH1 ARG A 50 8.286 -7.641 12.727 1.00 0.00 N ATOM 726 NH2 ARG A 50 6.010 -7.498 12.471 1.00 0.00 N ATOM 0 H ARG A 50 11.711 -6.447 8.418 1.00 0.00 H new ATOM 0 HA ARG A 50 9.678 -5.520 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.433 -6.655 11.031 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.088 -6.253 9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.662 -7.998 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.213 -8.270 9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.363 -9.948 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.232 -9.269 11.110 1.00 0.00 H new ATOM 0 HE ARG A 50 6.421 -8.732 10.351 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.197 -7.946 12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.216 -7.139 13.612 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.167 -7.693 11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.944 -6.996 13.356 1.00 0.00 H new ATOM 740 N ASN A 51 10.784 -3.317 9.625 1.00 0.00 N ATOM 741 CA ASN A 51 10.747 -1.967 10.174 1.00 0.00 C ATOM 742 C ASN A 51 10.999 -0.929 9.084 1.00 0.00 C ATOM 743 O ASN A 51 11.280 0.235 9.373 1.00 0.00 O ATOM 744 CB ASN A 51 11.787 -1.818 11.287 1.00 0.00 C ATOM 745 CG ASN A 51 11.438 -2.632 12.517 1.00 0.00 C ATOM 746 OD1 ASN A 51 10.327 -2.543 13.039 1.00 0.00 O ATOM 747 ND2 ASN A 51 12.389 -3.431 12.987 1.00 0.00 N ATOM 0 H ASN A 51 11.589 -3.508 9.028 1.00 0.00 H new ATOM 0 HA ASN A 51 9.754 -1.797 10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.762 -2.130 10.913 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.872 -0.767 11.562 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.213 -4.003 13.813 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.296 -3.473 12.522 1.00 0.00 H new ATOM 754 N CYS A 52 10.897 -1.358 7.831 1.00 0.00 N ATOM 755 CA CYS A 52 11.113 -0.468 6.697 1.00 0.00 C ATOM 756 C CYS A 52 10.249 0.784 6.816 1.00 0.00 C ATOM 757 O CYS A 52 9.054 0.719 7.102 1.00 0.00 O ATOM 758 CB CYS A 52 10.802 -1.193 5.386 1.00 0.00 C ATOM 759 SG CYS A 52 11.538 -2.855 5.263 1.00 0.00 S ATOM 0 H CYS A 52 10.666 -2.318 7.575 1.00 0.00 H new ATOM 0 HA CYS A 52 12.161 -0.167 6.698 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.721 -1.277 5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.160 -0.586 4.554 1.00 0.00 H new ATOM 0 HG CYS A 52 10.669 -3.678 4.756 1.00 0.00 H new ATOM 764 N PRO A 53 10.867 1.953 6.591 1.00 0.00 N ATOM 765 CA PRO A 53 10.174 3.242 6.666 1.00 0.00 C ATOM 766 C PRO A 53 9.183 3.435 5.524 1.00 0.00 C ATOM 767 O PRO A 53 9.524 3.993 4.481 1.00 0.00 O ATOM 768 CB PRO A 53 11.311 4.263 6.565 1.00 0.00 C ATOM 769 CG PRO A 53 12.397 3.549 5.836 1.00 0.00 C ATOM 770 CD PRO A 53 12.291 2.106 6.245 1.00 0.00 C ATOM 0 HA PRO A 53 9.580 3.333 7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.994 5.157 6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.642 4.586 7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.281 3.659 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.374 3.957 6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.582 1.437 5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.937 1.880 7.093 1.00 0.00 H new ATOM 778 N ILE A 54 7.955 2.970 5.728 1.00 0.00 N ATOM 779 CA ILE A 54 6.914 3.093 4.715 1.00 0.00 C ATOM 780 C ILE A 54 6.398 4.526 4.628 1.00 0.00 C ATOM 781 O ILE A 54 5.648 4.980 5.493 1.00 0.00 O ATOM 782 CB ILE A 54 5.731 2.150 5.006 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.236 0.730 5.266 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.746 2.164 3.847 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.886 0.088 4.060 1.00 0.00 C ATOM 0 H ILE A 54 7.657 2.505 6.585 1.00 0.00 H new ATOM 0 HA ILE A 54 7.365 2.813 3.763 1.00 0.00 H new ATOM 0 HB ILE A 54 5.215 2.502 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.954 0.753 6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.401 0.110 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.916 1.493 4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.367 3.176 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.249 1.833 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.220 -0.917 4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.165 0.032 3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.742 0.685 3.747 1.00 0.00 H new ATOM 797 N ASP A 55 6.803 5.232 3.579 1.00 0.00 N ATOM 798 CA ASP A 55 6.379 6.613 3.376 1.00 0.00 C ATOM 799 C ASP A 55 6.072 6.877 1.906 1.00 0.00 C ATOM 800 O ASP A 55 6.147 5.972 1.075 1.00 0.00 O ATOM 801 CB ASP A 55 7.461 7.577 3.866 1.00 0.00 C ATOM 802 CG ASP A 55 6.887 8.894 4.349 1.00 0.00 C ATOM 803 OD1 ASP A 55 6.079 8.876 5.302 1.00 0.00 O ATOM 804 OD2 ASP A 55 7.245 9.944 3.775 1.00 0.00 O ATOM 0 H ASP A 55 7.425 4.871 2.855 1.00 0.00 H new ATOM 0 HA ASP A 55 5.469 6.777 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.021 7.109 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.168 7.766 3.058 1.00 0.00 H new ATOM 809 N GLN A 56 5.725 8.121 1.593 1.00 0.00 N ATOM 810 CA GLN A 56 5.405 8.503 0.223 1.00 0.00 C ATOM 811 C GLN A 56 6.671 8.832 -0.561 1.00 0.00 C ATOM 812 O GLN A 56 6.828 8.417 -1.710 1.00 0.00 O ATOM 813 CB GLN A 56 4.459 9.705 0.214 1.00 0.00 C ATOM 814 CG GLN A 56 4.341 10.377 -1.145 1.00 0.00 C ATOM 815 CD GLN A 56 3.195 9.826 -1.970 1.00 0.00 C ATOM 816 OE1 GLN A 56 2.311 10.568 -2.400 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.204 8.517 -2.196 1.00 0.00 N ATOM 0 H GLN A 56 5.658 8.881 2.270 1.00 0.00 H new ATOM 0 HA GLN A 56 4.912 7.658 -0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.470 9.380 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.808 10.437 0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.201 11.449 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.274 10.246 -1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.956 7.940 -1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.459 8.089 -2.745 1.00 0.00 H new ATOM 915 N CYS A 62 8.871 -1.359 0.923 1.00 0.00 N ATOM 916 CA CYS A 62 8.695 -2.748 1.329 1.00 0.00 C ATOM 917 C CYS A 62 7.254 -3.201 1.111 1.00 0.00 C ATOM 918 O CYS A 62 6.312 -2.499 1.475 1.00 0.00 O ATOM 919 CB CYS A 62 9.079 -2.924 2.800 1.00 0.00 C ATOM 920 SG CYS A 62 8.812 -4.608 3.442 1.00 0.00 S ATOM 0 HA CYS A 62 9.349 -3.366 0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.130 -2.662 2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.502 -2.222 3.402 1.00 0.00 H new ATOM 0 HG CYS A 62 8.705 -4.567 4.737 1.00 0.00 H new ATOM 925 N GLN A 63 7.094 -4.378 0.514 1.00 0.00 N ATOM 926 CA GLN A 63 5.769 -4.924 0.247 1.00 0.00 C ATOM 927 C GLN A 63 5.068 -5.313 1.544 1.00 0.00 C ATOM 928 O GLN A 63 4.008 -4.781 1.873 1.00 0.00 O ATOM 929 CB GLN A 63 5.871 -6.139 -0.676 1.00 0.00 C ATOM 930 CG GLN A 63 5.966 -5.778 -2.150 1.00 0.00 C ATOM 931 CD GLN A 63 6.524 -6.907 -2.993 1.00 0.00 C ATOM 932 OE1 GLN A 63 7.739 -7.073 -3.105 1.00 0.00 O ATOM 933 NE2 GLN A 63 5.636 -7.693 -3.592 1.00 0.00 N ATOM 0 H GLN A 63 7.865 -4.971 0.206 1.00 0.00 H new ATOM 0 HA GLN A 63 5.179 -4.151 -0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.747 -6.724 -0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.000 -6.776 -0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.976 -5.509 -2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.598 -4.898 -2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.638 -7.519 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.952 -8.470 -4.172 1.00 0.00 H new ATOM 942 N TYR A 64 5.667 -6.245 2.277 1.00 0.00 N ATOM 943 CA TYR A 64 5.100 -6.709 3.537 1.00 0.00 C ATOM 944 C TYR A 64 4.807 -5.535 4.467 1.00 0.00 C ATOM 945 O TYR A 64 3.649 -5.188 4.702 1.00 0.00 O ATOM 946 CB TYR A 64 6.054 -7.689 4.221 1.00 0.00 C ATOM 947 CG TYR A 64 5.722 -7.944 5.674 1.00 0.00 C ATOM 948 CD1 TYR A 64 4.736 -8.856 6.031 1.00 0.00 C ATOM 949 CD2 TYR A 64 6.393 -7.274 6.689 1.00 0.00 C ATOM 950 CE1 TYR A 64 4.428 -9.092 7.357 1.00 0.00 C ATOM 951 CE2 TYR A 64 6.093 -7.505 8.017 1.00 0.00 C ATOM 952 CZ TYR A 64 5.110 -8.414 8.346 1.00 0.00 C ATOM 953 OH TYR A 64 4.807 -8.646 9.669 1.00 0.00 O ATOM 0 H TYR A 64 6.546 -6.694 2.020 1.00 0.00 H new ATOM 0 HA TYR A 64 4.162 -7.219 3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.037 -8.636 3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.070 -7.301 4.152 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.201 -9.389 5.259 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.163 -6.560 6.435 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.658 -9.803 7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.626 -6.976 8.794 1.00 0.00 H new ATOM 0 HH TYR A 64 4.493 -9.568 9.776 1.00 0.00 H new ATOM 963 N CYS A 65 5.865 -4.927 4.993 1.00 0.00 N ATOM 964 CA CYS A 65 5.724 -3.792 5.897 1.00 0.00 C ATOM 965 C CYS A 65 4.560 -2.900 5.473 1.00 0.00 C ATOM 966 O CYS A 65 3.631 -2.667 6.247 1.00 0.00 O ATOM 967 CB CYS A 65 7.018 -2.976 5.931 1.00 0.00 C ATOM 968 SG CYS A 65 8.367 -3.761 6.871 1.00 0.00 S ATOM 0 H CYS A 65 6.830 -5.202 4.809 1.00 0.00 H new ATOM 0 HA CYS A 65 5.519 -4.179 6.895 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.354 -2.805 4.908 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.807 -1.999 6.365 1.00 0.00 H new ATOM 0 HG CYS A 65 9.509 -3.444 6.337 1.00 0.00 H new ATOM 973 N ARG A 66 4.617 -2.406 4.241 1.00 0.00 N ATOM 974 CA ARG A 66 3.569 -1.541 3.715 1.00 0.00 C ATOM 975 C ARG A 66 2.200 -2.199 3.854 1.00 0.00 C ATOM 976 O ARG A 66 1.253 -1.589 4.354 1.00 0.00 O ATOM 977 CB ARG A 66 3.841 -1.209 2.247 1.00 0.00 C ATOM 978 CG ARG A 66 2.735 -0.398 1.591 1.00 0.00 C ATOM 979 CD ARG A 66 3.280 0.500 0.491 1.00 0.00 C ATOM 980 NE ARG A 66 2.217 1.038 -0.354 1.00 0.00 N ATOM 981 CZ ARG A 66 2.422 1.940 -1.307 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.643 2.402 -1.536 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.403 2.381 -2.034 1.00 0.00 N ATOM 0 H ARG A 66 5.379 -2.590 3.588 1.00 0.00 H new ATOM 0 HA ARG A 66 3.570 -0.618 4.295 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.777 -0.655 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.977 -2.137 1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.986 -1.072 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.233 0.210 2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.839 1.322 0.938 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.981 -0.065 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 66 1.265 0.703 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.429 2.065 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.797 3.095 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.462 2.027 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.561 3.074 -2.766 1.00 0.00 H new ATOM 997 N LEU A 67 2.101 -3.447 3.409 1.00 0.00 N ATOM 998 CA LEU A 67 0.847 -4.189 3.483 1.00 0.00 C ATOM 999 C LEU A 67 0.329 -4.240 4.916 1.00 0.00 C ATOM 1000 O LEU A 67 -0.834 -3.931 5.180 1.00 0.00 O ATOM 1001 CB LEU A 67 1.039 -5.608 2.946 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.035 -6.624 3.336 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.270 -7.227 4.699 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.411 -5.973 3.335 1.00 0.00 C ATOM 0 H LEU A 67 2.874 -3.966 2.993 1.00 0.00 H new ATOM 0 HA LEU A 67 0.110 -3.672 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.087 -5.560 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.004 -5.978 3.292 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.034 -7.426 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.505 -7.948 4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.237 -7.730 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.297 -6.436 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.163 -6.711 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.425 -5.151 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.632 -5.590 2.339 1.00 0.00 H new ATOM 1016 N LYS A 68 1.199 -4.631 5.841 1.00 0.00 N ATOM 1017 CA LYS A 68 0.832 -4.720 7.249 1.00 0.00 C ATOM 1018 C LYS A 68 0.362 -3.368 7.776 1.00 0.00 C ATOM 1019 O LYS A 68 -0.701 -3.263 8.387 1.00 0.00 O ATOM 1020 CB LYS A 68 2.019 -5.217 8.077 1.00 0.00 C ATOM 1021 CG LYS A 68 2.260 -6.713 7.959 1.00 0.00 C ATOM 1022 CD LYS A 68 1.170 -7.509 8.657 1.00 0.00 C ATOM 1023 CE LYS A 68 1.233 -8.983 8.287 1.00 0.00 C ATOM 1024 NZ LYS A 68 -0.005 -9.709 8.686 1.00 0.00 N ATOM 0 H LYS A 68 2.164 -4.892 5.640 1.00 0.00 H new ATOM 0 HA LYS A 68 0.011 -5.431 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.918 -4.687 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.851 -4.966 9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.300 -6.994 6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.228 -6.962 8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.272 -7.399 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.194 -7.106 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.381 -9.081 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.095 -9.442 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.078 -10.710 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.133 -9.637 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.825 -9.287 8.205 1.00 0.00 H new ATOM 1038 N LYS A 69 1.161 -2.334 7.533 1.00 0.00 N ATOM 1039 CA LYS A 69 0.827 -0.987 7.980 1.00 0.00 C ATOM 1040 C LYS A 69 -0.671 -0.728 7.855 1.00 0.00 C ATOM 1041 O LYS A 69 -1.236 0.072 8.601 1.00 0.00 O ATOM 1042 CB LYS A 69 1.604 0.050 7.166 1.00 0.00 C ATOM 1043 CG LYS A 69 1.198 1.483 7.461 1.00 0.00 C ATOM 1044 CD LYS A 69 2.393 2.421 7.424 1.00 0.00 C ATOM 1045 CE LYS A 69 3.088 2.491 8.775 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.324 3.320 8.720 1.00 0.00 N ATOM 0 H LYS A 69 2.045 -2.404 7.029 1.00 0.00 H new ATOM 0 HA LYS A 69 1.107 -0.900 9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.669 -0.066 7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.457 -0.149 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.456 1.809 6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.725 1.533 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.100 2.082 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.065 3.418 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.404 2.907 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.341 1.484 9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.769 3.343 9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.988 2.909 8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.080 4.288 8.429 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.308 -1.412 6.911 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.741 -1.256 6.689 1.00 0.00 C ATOM 1062 C CYS A 70 -3.536 -1.793 7.875 1.00 0.00 C ATOM 1063 O CYS A 70 -4.395 -1.101 8.425 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.162 -1.979 5.409 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.341 -1.373 3.916 1.00 0.00 S ATOM 0 H CYS A 70 -0.855 -2.080 6.287 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.953 -0.192 6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.953 -3.043 5.520 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.240 -1.877 5.285 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.977 -0.334 3.462 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.246 -3.029 8.264 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.934 -3.660 9.385 1.00 0.00 C ATOM 1073 C LEU A 71 -3.567 -2.982 10.701 1.00 0.00 C ATOM 1074 O LEU A 71 -4.210 -3.205 11.727 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.587 -5.148 9.450 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.837 -5.952 8.173 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.090 -7.276 8.222 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.327 -6.186 7.973 1.00 0.00 C ATOM 0 H LEU A 71 -2.539 -3.615 7.820 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.007 -3.550 9.229 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.534 -5.244 9.716 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.162 -5.600 10.258 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.463 -5.378 7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.279 -7.835 7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.021 -7.087 8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.434 -7.856 9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.486 -6.759 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.726 -6.740 8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.838 -5.227 7.893 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.531 -2.152 10.664 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.079 -1.438 11.852 1.00 0.00 C ATOM 1092 C LYS A 72 -2.787 -0.093 11.981 1.00 0.00 C ATOM 1093 O LYS A 72 -3.424 0.189 12.995 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.564 -1.227 11.800 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.014 -0.469 12.997 1.00 0.00 C ATOM 1096 CD LYS A 72 0.000 1.030 12.749 1.00 0.00 C ATOM 1097 CE LYS A 72 0.370 1.799 14.008 1.00 0.00 C ATOM 1098 NZ LYS A 72 -0.739 1.804 15.002 1.00 0.00 N ATOM 0 H LYS A 72 -1.988 -1.957 9.823 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.325 -2.043 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.072 -2.198 11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.312 -0.683 10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.619 -0.688 13.877 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.998 -0.813 13.213 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.712 1.262 11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.981 1.351 12.400 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.258 1.354 14.457 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.626 2.825 13.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.509 2.460 15.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.619 2.109 14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.865 0.846 15.387 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.671 0.732 10.946 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.302 2.047 10.942 1.00 0.00 C ATOM 1114 C VAL A 73 -4.789 1.943 11.263 1.00 0.00 C ATOM 1115 O VAL A 73 -5.344 2.790 11.962 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.130 2.748 9.581 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.664 3.060 9.323 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.706 1.892 8.464 1.00 0.00 C ATOM 0 H VAL A 73 -2.146 0.514 10.099 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.807 2.638 11.712 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.678 3.690 9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.562 3.555 8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.288 3.716 10.108 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.090 2.133 9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.576 2.403 7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.188 0.933 8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.768 1.725 8.644 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.429 0.898 10.748 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.846 0.702 10.992 1.00 0.00 C ATOM 1130 C GLY A 74 -7.527 -0.060 9.872 1.00 0.00 C ATOM 1131 O GLY A 74 -8.496 -0.783 10.104 1.00 0.00 O ATOM 0 H GLY A 74 -4.992 0.184 10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.979 0.161 11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.328 1.672 11.113 1.00 0.00 H new ATOM 1135 N MET A 75 -7.020 0.102 8.654 1.00 0.00 N ATOM 1136 CA MET A 75 -7.587 -0.577 7.495 1.00 0.00 C ATOM 1137 C MET A 75 -8.082 -1.971 7.868 1.00 0.00 C ATOM 1138 O MET A 75 -7.318 -2.797 8.368 1.00 0.00 O ATOM 1139 CB MET A 75 -6.548 -0.675 6.376 1.00 0.00 C ATOM 1140 CG MET A 75 -5.956 0.667 5.977 1.00 0.00 C ATOM 1141 SD MET A 75 -4.982 0.574 4.463 1.00 0.00 S ATOM 1142 CE MET A 75 -6.258 0.205 3.262 1.00 0.00 C ATOM 0 H MET A 75 -6.218 0.697 8.444 1.00 0.00 H new ATOM 0 HA MET A 75 -8.437 0.008 7.143 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.743 -1.337 6.696 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.010 -1.133 5.502 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.761 1.389 5.843 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.327 1.038 6.787 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.806 -0.243 2.377 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.975 -0.492 3.695 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.771 1.125 2.982 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.363 -2.224 7.624 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.959 -3.517 7.936 1.00 0.00 C ATOM 1154 C ARG A 76 -10.084 -4.376 6.681 1.00 0.00 C ATOM 1155 O ARG A 76 -10.510 -3.898 5.630 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.336 -3.327 8.576 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.354 -2.682 7.650 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.371 -1.861 8.426 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.159 -0.997 7.551 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.258 -1.396 6.920 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -15.697 -2.638 7.067 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -15.921 -0.551 6.141 1.00 0.00 N ATOM 0 H ARG A 76 -10.008 -1.551 7.211 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.305 -4.029 8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.714 -4.297 8.899 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.230 -2.713 9.470 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.841 -2.043 6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.868 -3.455 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.037 -2.530 8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.855 -1.252 9.168 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.849 -0.035 7.417 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.191 -3.290 7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.541 -2.941 6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.587 0.406 6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.765 -0.858 5.657 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.709 -5.646 6.800 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.778 -6.570 5.675 1.00 0.00 C ATOM 1178 C ARG A 77 -11.227 -6.884 5.316 1.00 0.00 C ATOM 1179 O ARG A 77 -11.598 -6.892 4.143 1.00 0.00 O ATOM 1180 CB ARG A 77 -9.031 -7.864 6.004 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.547 -7.662 6.264 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.804 -8.988 6.309 1.00 0.00 C ATOM 1183 NE ARG A 77 -6.736 -9.623 4.996 1.00 0.00 N ATOM 1184 CZ ARG A 77 -6.575 -10.930 4.818 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -6.466 -11.736 5.865 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -6.523 -11.432 3.592 1.00 0.00 N ATOM 0 H ARG A 77 -9.355 -6.058 7.663 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.305 -6.093 4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.486 -8.323 6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.154 -8.565 5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.122 -7.032 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.410 -7.135 7.208 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.794 -8.825 6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.301 -9.658 7.010 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.817 -9.031 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.506 -11.353 6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.343 -12.739 5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.607 -10.815 2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.399 -12.435 3.457 1.00 0.00 H new ATOM 1200 N GLU A 78 -12.041 -7.143 6.335 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.449 -7.459 6.126 1.00 0.00 C ATOM 1202 C GLU A 78 -14.056 -6.555 5.057 1.00 0.00 C ATOM 1203 O GLU A 78 -14.901 -6.985 4.272 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.227 -7.313 7.435 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.111 -5.933 8.061 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.487 -5.926 9.530 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -15.683 -6.110 9.838 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -13.584 -5.737 10.372 1.00 0.00 O ATOM 0 H GLU A 78 -11.750 -7.140 7.312 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.517 -8.492 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.279 -7.531 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.868 -8.057 8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.088 -5.572 7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.755 -5.238 7.522 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.619 -5.300 5.033 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.118 -4.336 4.061 1.00 0.00 C ATOM 1217 C ALA A 79 -13.770 -4.761 2.638 1.00 0.00 C ATOM 1218 O ALA A 79 -14.644 -4.854 1.776 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.556 -2.952 4.353 1.00 0.00 C ATOM 0 H ALA A 79 -12.920 -4.928 5.676 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.204 -4.300 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.937 -2.242 3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.860 -2.639 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.468 -2.982 4.297 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.488 -5.016 2.398 1.00 0.00 N ATOM 1226 CA VAL A 80 -12.024 -5.431 1.080 1.00 0.00 C ATOM 1227 C VAL A 80 -12.971 -6.454 0.461 1.00 0.00 C ATOM 1228 O VAL A 80 -13.267 -6.397 -0.732 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.609 -6.034 1.147 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.156 -6.489 -0.232 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.629 -5.029 1.734 1.00 0.00 C ATOM 0 H VAL A 80 -11.752 -4.942 3.100 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.001 -4.537 0.457 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.635 -6.906 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.154 -6.912 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.844 -7.245 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.145 -5.636 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.634 -5.472 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.604 -4.137 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.946 -4.757 2.741 1.00 0.00 H new