USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 515 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 Single : A 17 THR OG1 : rot 170:sc= -0.0206 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 22 MET CE :methyl -139:sc= -0.0444 (180deg=-0.274) USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= -0.315 (180deg=-2.94!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.066) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 130:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0902 USER MOD Single : A 41 GLN : amide:sc= -10.8! C(o=-11!,f=-12!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 0.0854 (180deg=0.0481) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -157:sc= -0.107 (180deg=-0.882) USER MOD Single : A 70 SER OG : rot 180:sc= -0.697 USER MOD Single : A 71 SER OG : rot 175:sc= -1.01! USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 16 0.330 4.067 -12.249 1.00 0.00 N ATOM 39 CA LEU A 16 1.759 4.323 -12.161 1.00 0.00 C ATOM 40 C LEU A 16 2.549 3.306 -12.979 1.00 0.00 C ATOM 41 O LEU A 16 1.982 2.371 -13.543 1.00 0.00 O ATOM 42 CB LEU A 16 2.215 4.252 -10.702 1.00 0.00 C ATOM 43 CG LEU A 16 2.006 5.595 -9.998 1.00 0.00 C ATOM 44 CD1 LEU A 16 2.483 5.479 -8.556 1.00 0.00 C ATOM 45 CD2 LEU A 16 2.815 6.691 -10.690 1.00 0.00 C ATOM 0 HA LEU A 16 1.946 5.320 -12.561 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.659 3.473 -10.181 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.268 3.974 -10.659 1.00 0.00 H new ATOM 0 HG LEU A 16 0.947 5.850 -10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.338 6.432 -8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.912 4.704 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.541 5.218 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.655 7.640 -10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.874 6.436 -10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.493 6.781 -11.728 1.00 0.00 H new ATOM 57 N THR A 17 3.863 3.506 -13.039 1.00 0.00 N ATOM 58 CA THR A 17 4.735 2.610 -13.789 1.00 0.00 C ATOM 59 C THR A 17 4.854 1.262 -13.093 1.00 0.00 C ATOM 60 O THR A 17 4.003 0.893 -12.283 1.00 0.00 O ATOM 61 CB THR A 17 6.125 3.233 -13.941 1.00 0.00 C ATOM 62 OG1 THR A 17 6.708 3.408 -12.658 1.00 0.00 O ATOM 63 CG2 THR A 17 6.003 4.586 -14.640 1.00 0.00 C ATOM 0 H THR A 17 4.345 4.278 -12.579 1.00 0.00 H new ATOM 0 HA THR A 17 4.296 2.457 -14.775 1.00 0.00 H new ATOM 0 HB THR A 17 6.757 2.575 -14.537 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.652 3.653 -12.758 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.993 5.030 -14.748 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.557 4.448 -15.625 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.372 5.247 -14.046 1.00 0.00 H new ATOM 71 N GLN A 18 5.911 0.530 -13.417 1.00 0.00 N ATOM 72 CA GLN A 18 6.130 -0.780 -12.822 1.00 0.00 C ATOM 73 C GLN A 18 6.259 -0.662 -11.308 1.00 0.00 C ATOM 74 O GLN A 18 5.895 -1.582 -10.576 1.00 0.00 O ATOM 75 CB GLN A 18 7.398 -1.409 -13.401 1.00 0.00 C ATOM 76 CG GLN A 18 8.606 -0.541 -13.046 1.00 0.00 C ATOM 77 CD GLN A 18 9.860 -1.095 -13.712 1.00 0.00 C ATOM 78 OE1 GLN A 18 9.770 -1.924 -14.617 1.00 0.00 O ATOM 79 NE2 GLN A 18 11.033 -0.681 -13.318 1.00 0.00 N ATOM 0 H GLN A 18 6.626 0.819 -14.084 1.00 0.00 H new ATOM 0 HA GLN A 18 5.274 -1.415 -13.053 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.531 -2.416 -13.005 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.309 -1.502 -14.483 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.435 0.485 -13.371 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.740 -0.515 -11.965 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.106 0.006 -12.568 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.877 -1.045 -13.760 1.00 0.00 H new ATOM 88 N GLY A 19 6.774 0.473 -10.838 1.00 0.00 N ATOM 89 CA GLY A 19 6.935 0.681 -9.409 1.00 0.00 C ATOM 90 C GLY A 19 7.295 2.129 -9.106 1.00 0.00 C ATOM 91 O GLY A 19 8.238 2.399 -8.368 1.00 0.00 O ATOM 0 H GLY A 19 7.082 1.251 -11.421 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.012 0.416 -8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.714 0.021 -9.027 1.00 0.00 H new ATOM 95 N GLU A 20 6.541 3.059 -9.680 1.00 0.00 N ATOM 96 CA GLU A 20 6.795 4.472 -9.461 1.00 0.00 C ATOM 97 C GLU A 20 6.619 4.833 -7.989 1.00 0.00 C ATOM 98 O GLU A 20 7.056 5.893 -7.546 1.00 0.00 O ATOM 99 CB GLU A 20 5.862 5.313 -10.331 1.00 0.00 C ATOM 100 CG GLU A 20 6.702 6.272 -11.169 1.00 0.00 C ATOM 101 CD GLU A 20 5.804 7.194 -11.985 1.00 0.00 C ATOM 102 OE1 GLU A 20 5.755 7.026 -13.192 1.00 0.00 O ATOM 103 OE2 GLU A 20 5.178 8.057 -11.391 1.00 0.00 O ATOM 0 H GLU A 20 5.754 2.859 -10.297 1.00 0.00 H new ATOM 0 HA GLU A 20 7.827 4.685 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.267 4.669 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.164 5.870 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.346 6.864 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.354 5.707 -11.835 1.00 0.00 H new ATOM 110 N LEU A 21 5.971 3.950 -7.236 1.00 0.00 N ATOM 111 CA LEU A 21 5.752 4.192 -5.814 1.00 0.00 C ATOM 112 C LEU A 21 6.390 3.086 -4.963 1.00 0.00 C ATOM 113 O LEU A 21 6.674 3.279 -3.772 1.00 0.00 O ATOM 114 CB LEU A 21 4.249 4.281 -5.523 1.00 0.00 C ATOM 115 CG LEU A 21 3.605 2.890 -5.622 1.00 0.00 C ATOM 116 CD1 LEU A 21 3.331 2.324 -4.222 1.00 0.00 C ATOM 117 CD2 LEU A 21 2.278 2.991 -6.370 1.00 0.00 C ATOM 0 H LEU A 21 5.592 3.069 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 21 6.225 5.138 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.088 4.694 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.774 4.961 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 21 4.292 2.231 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.875 1.338 -4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.269 2.241 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.654 2.990 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.823 2.003 -6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.608 3.662 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.454 3.380 -7.373 1.00 0.00 H new ATOM 129 N MET A 22 6.614 1.927 -5.584 1.00 0.00 N ATOM 130 CA MET A 22 7.206 0.787 -4.892 1.00 0.00 C ATOM 131 C MET A 22 8.622 1.076 -4.432 1.00 0.00 C ATOM 132 O MET A 22 8.958 0.884 -3.264 1.00 0.00 O ATOM 133 CB MET A 22 7.217 -0.424 -5.835 1.00 0.00 C ATOM 134 CG MET A 22 8.451 -1.281 -5.565 1.00 0.00 C ATOM 135 SD MET A 22 8.193 -2.950 -6.222 1.00 0.00 S ATOM 136 CE MET A 22 8.956 -2.699 -7.844 1.00 0.00 C ATOM 0 H MET A 22 6.394 1.755 -6.565 1.00 0.00 H new ATOM 0 HA MET A 22 6.603 0.581 -4.007 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.313 -1.016 -5.691 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.216 -0.088 -6.872 1.00 0.00 H new ATOM 0 HG2 MET A 22 9.328 -0.829 -6.029 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.646 -1.328 -4.494 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.357 -3.194 -8.608 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.010 -1.632 -8.059 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.961 -3.120 -7.842 1.00 0.00 H new ATOM 146 N LYS A 23 9.451 1.518 -5.352 1.00 0.00 N ATOM 147 CA LYS A 23 10.833 1.803 -5.020 1.00 0.00 C ATOM 148 C LYS A 23 10.936 3.169 -4.360 1.00 0.00 C ATOM 149 O LYS A 23 12.016 3.749 -4.268 1.00 0.00 O ATOM 150 CB LYS A 23 11.690 1.746 -6.290 1.00 0.00 C ATOM 151 CG LYS A 23 11.089 2.657 -7.366 1.00 0.00 C ATOM 152 CD LYS A 23 11.142 1.955 -8.725 1.00 0.00 C ATOM 153 CE LYS A 23 11.090 3.001 -9.838 1.00 0.00 C ATOM 154 NZ LYS A 23 10.053 4.020 -9.514 1.00 0.00 N ATOM 0 H LYS A 23 9.198 1.687 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 23 11.201 1.055 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.710 2.058 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.744 0.721 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.058 2.903 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.640 3.597 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.055 1.366 -8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.306 1.263 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.063 3.479 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.860 2.523 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.677 4.425 -10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.280 3.572 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.477 4.776 -8.939 1.00 0.00 H new ATOM 168 N LEU A 24 9.791 3.687 -3.917 1.00 0.00 N ATOM 169 CA LEU A 24 9.749 4.993 -3.280 1.00 0.00 C ATOM 170 C LEU A 24 9.475 4.870 -1.797 1.00 0.00 C ATOM 171 O LEU A 24 10.157 5.489 -0.986 1.00 0.00 O ATOM 172 CB LEU A 24 8.645 5.852 -3.893 1.00 0.00 C ATOM 173 CG LEU A 24 9.058 6.342 -5.284 1.00 0.00 C ATOM 174 CD1 LEU A 24 10.284 7.248 -5.160 1.00 0.00 C ATOM 175 CD2 LEU A 24 9.398 5.145 -6.172 1.00 0.00 C ATOM 0 H LEU A 24 8.887 3.221 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 24 10.723 5.457 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.723 5.275 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.438 6.705 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 24 8.234 6.900 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.579 7.598 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.042 8.104 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.106 6.689 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.691 5.497 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.220 4.584 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.525 4.499 -6.261 1.00 0.00 H new ATOM 187 N ILE A 25 8.456 4.092 -1.442 1.00 0.00 N ATOM 188 CA ILE A 25 8.099 3.952 -0.031 1.00 0.00 C ATOM 189 C ILE A 25 9.320 3.615 0.830 1.00 0.00 C ATOM 190 O ILE A 25 9.633 4.305 1.808 1.00 0.00 O ATOM 191 CB ILE A 25 7.053 2.848 0.140 1.00 0.00 C ATOM 192 CG1 ILE A 25 7.215 1.809 -0.970 1.00 0.00 C ATOM 193 CG2 ILE A 25 5.646 3.443 0.068 1.00 0.00 C ATOM 194 CD1 ILE A 25 6.707 0.453 -0.484 1.00 0.00 C ATOM 0 H ILE A 25 7.876 3.561 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 25 7.694 4.909 0.298 1.00 0.00 H new ATOM 0 HB ILE A 25 7.196 2.375 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.661 2.120 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.263 1.733 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.909 2.650 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.522 4.180 0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.504 3.924 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.824 -0.285 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.280 0.141 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.654 0.534 -0.216 1.00 0.00 H new ATOM 206 N LYS A 26 10.011 2.555 0.465 1.00 0.00 N ATOM 207 CA LYS A 26 11.186 2.140 1.225 1.00 0.00 C ATOM 208 C LYS A 26 12.365 3.073 0.971 1.00 0.00 C ATOM 209 O LYS A 26 13.207 3.288 1.840 1.00 0.00 O ATOM 210 CB LYS A 26 11.575 0.704 0.859 1.00 0.00 C ATOM 211 CG LYS A 26 11.484 0.496 -0.659 1.00 0.00 C ATOM 212 CD LYS A 26 12.856 0.095 -1.204 1.00 0.00 C ATOM 213 CE LYS A 26 13.164 -1.342 -0.795 1.00 0.00 C ATOM 214 NZ LYS A 26 14.639 -1.542 -0.762 1.00 0.00 N ATOM 0 H LYS A 26 9.789 1.969 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 26 10.932 2.187 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.589 0.497 1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.917 0.001 1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.750 -0.277 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.143 1.412 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.869 0.186 -2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.623 0.767 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.735 -1.553 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.707 -2.038 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.850 -2.521 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.036 -1.357 -1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.063 -0.887 -0.074 1.00 0.00 H new ATOM 228 N GLU A 27 12.419 3.616 -0.227 1.00 0.00 N ATOM 229 CA GLU A 27 13.494 4.512 -0.612 1.00 0.00 C ATOM 230 C GLU A 27 13.316 5.886 0.011 1.00 0.00 C ATOM 231 O GLU A 27 14.279 6.487 0.472 1.00 0.00 O ATOM 232 CB GLU A 27 13.540 4.642 -2.130 1.00 0.00 C ATOM 233 CG GLU A 27 14.797 5.402 -2.547 1.00 0.00 C ATOM 234 CD GLU A 27 14.860 5.492 -4.067 1.00 0.00 C ATOM 235 OE1 GLU A 27 13.856 5.205 -4.699 1.00 0.00 O ATOM 236 OE2 GLU A 27 15.910 5.847 -4.576 1.00 0.00 O ATOM 0 H GLU A 27 11.726 3.452 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 27 14.431 4.090 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.533 3.653 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.653 5.165 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.790 6.402 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.684 4.895 -2.166 1.00 0.00 H new ATOM 243 N ILE A 28 12.081 6.385 0.019 1.00 0.00 N ATOM 244 CA ILE A 28 11.819 7.693 0.584 1.00 0.00 C ATOM 245 C ILE A 28 11.995 7.645 2.086 1.00 0.00 C ATOM 246 O ILE A 28 12.566 8.564 2.671 1.00 0.00 O ATOM 247 CB ILE A 28 10.411 8.183 0.220 1.00 0.00 C ATOM 248 CG1 ILE A 28 9.369 7.215 0.768 1.00 0.00 C ATOM 249 CG2 ILE A 28 10.276 8.250 -1.301 1.00 0.00 C ATOM 250 CD1 ILE A 28 8.650 7.839 1.962 1.00 0.00 C ATOM 0 H ILE A 28 11.262 5.906 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 28 12.533 8.401 0.163 1.00 0.00 H new ATOM 0 HB ILE A 28 10.253 9.171 0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.648 6.965 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.849 6.284 1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.277 8.598 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 28 11.017 8.941 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.438 7.259 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.908 7.139 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.374 8.066 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.154 8.758 1.649 1.00 0.00 H new ATOM 262 N VAL A 29 11.523 6.570 2.724 1.00 0.00 N ATOM 263 CA VAL A 29 11.685 6.475 4.160 1.00 0.00 C ATOM 264 C VAL A 29 13.130 6.238 4.529 1.00 0.00 C ATOM 265 O VAL A 29 13.628 6.783 5.516 1.00 0.00 O ATOM 266 CB VAL A 29 10.827 5.373 4.747 1.00 0.00 C ATOM 267 CG1 VAL A 29 9.362 5.728 4.581 1.00 0.00 C ATOM 268 CG2 VAL A 29 11.121 4.077 4.027 1.00 0.00 C ATOM 0 H VAL A 29 11.044 5.786 2.281 1.00 0.00 H new ATOM 0 HA VAL A 29 11.361 7.428 4.579 1.00 0.00 H new ATOM 0 HB VAL A 29 11.051 5.260 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.745 4.935 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.154 6.664 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.133 5.840 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.506 3.280 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.895 4.190 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.174 3.824 4.149 1.00 0.00 H new ATOM 278 N GLU A 30 13.808 5.425 3.739 1.00 0.00 N ATOM 279 CA GLU A 30 15.203 5.142 4.019 1.00 0.00 C ATOM 280 C GLU A 30 16.053 6.361 3.719 1.00 0.00 C ATOM 281 O GLU A 30 17.276 6.319 3.849 1.00 0.00 O ATOM 282 CB GLU A 30 15.683 3.943 3.201 1.00 0.00 C ATOM 283 CG GLU A 30 15.087 2.662 3.787 1.00 0.00 C ATOM 284 CD GLU A 30 15.403 1.479 2.878 1.00 0.00 C ATOM 285 OE1 GLU A 30 14.997 0.378 3.210 1.00 0.00 O ATOM 286 OE2 GLU A 30 16.041 1.694 1.861 1.00 0.00 O ATOM 0 H GLU A 30 13.426 4.958 2.916 1.00 0.00 H new ATOM 0 HA GLU A 30 15.302 4.897 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.382 4.055 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.772 3.891 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.492 2.485 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.008 2.770 3.896 1.00 0.00 H new ATOM 293 N ASN A 31 15.400 7.451 3.317 1.00 0.00 N ATOM 294 CA ASN A 31 16.131 8.673 3.008 1.00 0.00 C ATOM 295 C ASN A 31 15.759 9.802 3.959 1.00 0.00 C ATOM 296 O ASN A 31 16.453 10.815 4.032 1.00 0.00 O ATOM 297 CB ASN A 31 15.846 9.112 1.575 1.00 0.00 C ATOM 298 CG ASN A 31 17.139 9.564 0.916 1.00 0.00 C ATOM 299 OD1 ASN A 31 17.214 10.669 0.380 1.00 0.00 O ATOM 300 ND2 ASN A 31 18.169 8.766 0.930 1.00 0.00 N ATOM 0 H ASN A 31 14.388 7.511 3.200 1.00 0.00 H new ATOM 0 HA ASN A 31 17.193 8.456 3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.407 8.289 1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.120 9.925 1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 31 19.045 9.056 0.495 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.100 7.851 1.376 1.00 0.00 H new ATOM 307 N GLU A 32 14.656 9.634 4.677 1.00 0.00 N ATOM 308 CA GLU A 32 14.203 10.657 5.601 1.00 0.00 C ATOM 309 C GLU A 32 14.643 10.351 7.019 1.00 0.00 C ATOM 310 O GLU A 32 15.830 10.419 7.341 1.00 0.00 O ATOM 311 CB GLU A 32 12.683 10.731 5.543 1.00 0.00 C ATOM 312 CG GLU A 32 12.249 11.325 4.202 1.00 0.00 C ATOM 313 CD GLU A 32 12.655 12.793 4.123 1.00 0.00 C ATOM 314 OE1 GLU A 32 12.758 13.300 3.019 1.00 0.00 O ATOM 315 OE2 GLU A 32 12.863 13.386 5.169 1.00 0.00 O ATOM 0 H GLU A 32 14.064 8.804 4.636 1.00 0.00 H new ATOM 0 HA GLU A 32 14.643 11.611 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.255 9.736 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.307 11.344 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.706 10.769 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.169 11.232 4.086 1.00 0.00 H new ATOM 322 N ASP A 33 13.678 10.020 7.866 1.00 0.00 N ATOM 323 CA ASP A 33 13.978 9.709 9.247 1.00 0.00 C ATOM 324 C ASP A 33 13.727 8.236 9.526 1.00 0.00 C ATOM 325 O ASP A 33 12.588 7.809 9.706 1.00 0.00 O ATOM 326 CB ASP A 33 13.113 10.564 10.177 1.00 0.00 C ATOM 327 CG ASP A 33 13.558 12.021 10.103 1.00 0.00 C ATOM 328 OD1 ASP A 33 14.572 12.278 9.475 1.00 0.00 O ATOM 329 OD2 ASP A 33 12.879 12.858 10.675 1.00 0.00 O ATOM 0 H ASP A 33 12.690 9.962 7.619 1.00 0.00 H new ATOM 0 HA ASP A 33 15.030 9.929 9.430 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.064 10.480 9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.196 10.201 11.201 1.00 0.00 H new ATOM 334 N LYS A 34 14.804 7.471 9.568 1.00 0.00 N ATOM 335 CA LYS A 34 14.702 6.041 9.836 1.00 0.00 C ATOM 336 C LYS A 34 14.113 5.803 11.221 1.00 0.00 C ATOM 337 O LYS A 34 13.316 4.892 11.413 1.00 0.00 O ATOM 338 CB LYS A 34 16.080 5.383 9.745 1.00 0.00 C ATOM 339 CG LYS A 34 16.552 5.380 8.289 1.00 0.00 C ATOM 340 CD LYS A 34 17.921 4.702 8.201 1.00 0.00 C ATOM 341 CE LYS A 34 18.387 4.686 6.744 1.00 0.00 C ATOM 342 NZ LYS A 34 19.725 4.034 6.657 1.00 0.00 N ATOM 0 H LYS A 34 15.755 7.810 9.421 1.00 0.00 H new ATOM 0 HA LYS A 34 14.045 5.598 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.794 5.922 10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.033 4.362 10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.832 4.853 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.615 6.401 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.643 5.235 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.861 3.684 8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.668 4.148 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.441 5.704 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.042 4.023 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.408 4.565 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.659 3.058 7.010 1.00 0.00 H new ATOM 356 N ARG A 35 14.519 6.636 12.172 1.00 0.00 N ATOM 357 CA ARG A 35 14.048 6.545 13.556 1.00 0.00 C ATOM 358 C ARG A 35 12.544 6.764 13.637 1.00 0.00 C ATOM 359 O ARG A 35 11.864 6.210 14.491 1.00 0.00 O ATOM 360 CB ARG A 35 14.747 7.611 14.379 1.00 0.00 C ATOM 361 CG ARG A 35 16.227 7.269 14.485 1.00 0.00 C ATOM 362 CD ARG A 35 16.941 8.437 15.136 1.00 0.00 C ATOM 363 NE ARG A 35 18.375 8.165 15.227 1.00 0.00 N ATOM 364 CZ ARG A 35 19.241 9.110 15.584 1.00 0.00 C ATOM 365 NH1 ARG A 35 18.821 10.308 15.883 1.00 0.00 N ATOM 366 NH2 ARG A 35 20.515 8.834 15.637 1.00 0.00 N ATOM 0 H ARG A 35 15.183 7.393 12.010 1.00 0.00 H new ATOM 0 HA ARG A 35 14.274 5.550 13.939 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.619 8.589 13.914 1.00 0.00 H new ATOM 0 HB3 ARG A 35 14.303 7.670 15.373 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.366 6.363 15.075 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.643 7.073 13.497 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.772 9.345 14.557 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.533 8.613 16.131 1.00 0.00 H new ATOM 0 HE ARG A 35 18.719 7.229 15.012 1.00 0.00 H new ATOM 0 HH11 ARG A 35 17.825 10.524 15.844 1.00 0.00 H new ATOM 0 HH12 ARG A 35 19.489 11.029 16.156 1.00 0.00 H new ATOM 0 HH21 ARG A 35 20.844 7.897 15.405 1.00 0.00 H new ATOM 0 HH22 ARG A 35 21.182 9.556 15.910 1.00 0.00 H new ATOM 380 N LYS A 36 12.041 7.586 12.746 1.00 0.00 N ATOM 381 CA LYS A 36 10.617 7.891 12.713 1.00 0.00 C ATOM 382 C LYS A 36 10.064 7.695 11.307 1.00 0.00 C ATOM 383 O LYS A 36 9.931 8.657 10.548 1.00 0.00 O ATOM 384 CB LYS A 36 10.382 9.333 13.160 1.00 0.00 C ATOM 385 CG LYS A 36 10.874 9.499 14.598 1.00 0.00 C ATOM 386 CD LYS A 36 10.643 10.939 15.056 1.00 0.00 C ATOM 387 CE LYS A 36 11.941 11.494 15.642 1.00 0.00 C ATOM 388 NZ LYS A 36 11.664 12.782 16.336 1.00 0.00 N ATOM 0 H LYS A 36 12.592 8.060 12.030 1.00 0.00 H new ATOM 0 HA LYS A 36 10.101 7.213 13.393 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.910 10.022 12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.322 9.579 13.095 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.346 8.808 15.256 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.934 9.252 14.661 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.317 11.553 14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.849 10.973 15.802 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.372 10.778 16.341 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.674 11.646 14.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.548 13.159 16.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.272 13.465 15.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.979 12.623 17.102 1.00 0.00 H new ATOM 402 N PRO A 37 9.754 6.478 10.932 1.00 0.00 N ATOM 403 CA PRO A 37 9.220 6.173 9.577 1.00 0.00 C ATOM 404 C PRO A 37 7.774 6.631 9.399 1.00 0.00 C ATOM 405 O PRO A 37 7.078 6.919 10.374 1.00 0.00 O ATOM 406 CB PRO A 37 9.340 4.660 9.475 1.00 0.00 C ATOM 407 CG PRO A 37 9.232 4.177 10.872 1.00 0.00 C ATOM 408 CD PRO A 37 9.867 5.254 11.750 1.00 0.00 C ATOM 0 HA PRO A 37 9.767 6.700 8.795 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.551 4.242 8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.290 4.368 9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.190 4.015 11.148 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.746 3.223 10.994 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.343 5.357 12.700 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.906 5.021 11.982 1.00 0.00 H new ATOM 416 N TYR A 38 7.334 6.703 8.146 1.00 0.00 N ATOM 417 CA TYR A 38 5.973 7.134 7.836 1.00 0.00 C ATOM 418 C TYR A 38 5.008 5.950 7.875 1.00 0.00 C ATOM 419 O TYR A 38 5.426 4.799 8.002 1.00 0.00 O ATOM 420 CB TYR A 38 5.941 7.763 6.444 1.00 0.00 C ATOM 421 CG TYR A 38 6.901 8.926 6.402 1.00 0.00 C ATOM 422 CD1 TYR A 38 6.422 10.239 6.433 1.00 0.00 C ATOM 423 CD2 TYR A 38 8.275 8.680 6.345 1.00 0.00 C ATOM 424 CE1 TYR A 38 7.326 11.312 6.403 1.00 0.00 C ATOM 425 CE2 TYR A 38 9.179 9.743 6.312 1.00 0.00 C ATOM 426 CZ TYR A 38 8.707 11.063 6.341 1.00 0.00 C ATOM 427 OH TYR A 38 9.600 12.115 6.316 1.00 0.00 O ATOM 0 H TYR A 38 7.899 6.469 7.329 1.00 0.00 H new ATOM 0 HA TYR A 38 5.663 7.865 8.583 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.214 7.023 5.691 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.932 8.100 6.208 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.360 10.427 6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.639 7.663 6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.960 12.328 6.428 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.240 9.549 6.264 1.00 0.00 H new ATOM 0 HH TYR A 38 10.293 11.972 6.994 1.00 0.00 H new ATOM 437 N SER A 39 3.717 6.241 7.754 1.00 0.00 N ATOM 438 CA SER A 39 2.699 5.193 7.766 1.00 0.00 C ATOM 439 C SER A 39 1.938 5.202 6.454 1.00 0.00 C ATOM 440 O SER A 39 1.622 6.275 5.943 1.00 0.00 O ATOM 441 CB SER A 39 1.734 5.405 8.929 1.00 0.00 C ATOM 442 OG SER A 39 1.208 6.724 8.872 1.00 0.00 O ATOM 0 H SER A 39 3.351 7.187 7.647 1.00 0.00 H new ATOM 0 HA SER A 39 3.189 4.227 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.925 4.677 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.249 5.248 9.877 1.00 0.00 H new ATOM 0 HG SER A 39 0.587 6.861 9.617 1.00 0.00 H new ATOM 448 N ASP A 40 1.669 4.003 5.912 1.00 0.00 N ATOM 449 CA ASP A 40 0.971 3.868 4.638 1.00 0.00 C ATOM 450 C ASP A 40 0.196 5.126 4.308 1.00 0.00 C ATOM 451 O ASP A 40 0.300 5.656 3.213 1.00 0.00 O ATOM 452 CB ASP A 40 0.020 2.673 4.674 1.00 0.00 C ATOM 453 CG ASP A 40 -0.871 2.741 5.910 1.00 0.00 C ATOM 454 OD1 ASP A 40 -0.541 3.487 6.817 1.00 0.00 O ATOM 455 OD2 ASP A 40 -1.871 2.043 5.930 1.00 0.00 O ATOM 0 H ASP A 40 1.928 3.116 6.343 1.00 0.00 H new ATOM 0 HA ASP A 40 1.720 3.707 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.595 2.662 3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.592 1.745 4.680 1.00 0.00 H new ATOM 460 N GLN A 41 -0.569 5.615 5.267 1.00 0.00 N ATOM 461 CA GLN A 41 -1.341 6.814 5.074 1.00 0.00 C ATOM 462 C GLN A 41 -0.431 7.971 4.754 1.00 0.00 C ATOM 463 O GLN A 41 -0.457 8.511 3.658 1.00 0.00 O ATOM 464 CB GLN A 41 -2.077 7.104 6.367 1.00 0.00 C ATOM 465 CG GLN A 41 -2.779 8.444 6.292 1.00 0.00 C ATOM 466 CD GLN A 41 -1.810 9.607 6.477 1.00 0.00 C ATOM 467 OE1 GLN A 41 -1.224 9.760 7.545 1.00 0.00 O ATOM 468 NE2 GLN A 41 -1.614 10.448 5.496 1.00 0.00 N ATOM 0 H GLN A 41 -0.668 5.192 6.190 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.039 6.679 4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.805 6.316 6.562 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.374 7.102 7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.279 8.538 5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.553 8.491 7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.101 10.320 4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.974 11.233 5.617 1.00 0.00 H new ATOM 477 N GLU A 42 0.354 8.356 5.742 1.00 0.00 N ATOM 478 CA GLU A 42 1.264 9.478 5.589 1.00 0.00 C ATOM 479 C GLU A 42 2.046 9.395 4.281 1.00 0.00 C ATOM 480 O GLU A 42 2.112 10.365 3.525 1.00 0.00 O ATOM 481 CB GLU A 42 2.263 9.499 6.744 1.00 0.00 C ATOM 482 CG GLU A 42 1.566 9.809 8.068 1.00 0.00 C ATOM 483 CD GLU A 42 2.591 9.775 9.198 1.00 0.00 C ATOM 484 OE1 GLU A 42 3.758 9.570 8.906 1.00 0.00 O ATOM 485 OE2 GLU A 42 2.196 9.955 10.338 1.00 0.00 O ATOM 0 H GLU A 42 0.381 7.910 6.659 1.00 0.00 H new ATOM 0 HA GLU A 42 0.661 10.386 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.766 8.534 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.032 10.247 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.091 10.789 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.777 9.081 8.256 1.00 0.00 H new ATOM 492 N ILE A 43 2.633 8.237 4.026 1.00 0.00 N ATOM 493 CA ILE A 43 3.427 8.034 2.812 1.00 0.00 C ATOM 494 C ILE A 43 2.559 8.266 1.600 1.00 0.00 C ATOM 495 O ILE A 43 2.992 8.836 0.614 1.00 0.00 O ATOM 496 CB ILE A 43 3.993 6.611 2.748 1.00 0.00 C ATOM 497 CG1 ILE A 43 3.748 5.904 4.070 1.00 0.00 C ATOM 498 CG2 ILE A 43 5.496 6.671 2.483 1.00 0.00 C ATOM 499 CD1 ILE A 43 4.599 4.637 4.159 1.00 0.00 C ATOM 0 H ILE A 43 2.579 7.422 4.637 1.00 0.00 H new ATOM 0 HA ILE A 43 4.257 8.740 2.830 1.00 0.00 H new ATOM 0 HB ILE A 43 3.500 6.064 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.989 6.571 4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.692 5.649 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.898 5.659 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.678 7.177 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.986 7.220 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.414 4.140 5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.337 3.965 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.654 4.902 4.087 1.00 0.00 H new ATOM 511 N ALA A 44 1.330 7.813 1.695 1.00 0.00 N ATOM 512 CA ALA A 44 0.385 7.969 0.594 1.00 0.00 C ATOM 513 C ALA A 44 0.072 9.443 0.368 1.00 0.00 C ATOM 514 O ALA A 44 -0.176 9.875 -0.755 1.00 0.00 O ATOM 515 CB ALA A 44 -0.908 7.201 0.882 1.00 0.00 C ATOM 0 H ALA A 44 0.955 7.335 2.515 1.00 0.00 H new ATOM 0 HA ALA A 44 0.842 7.561 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.600 7.329 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.682 6.142 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.363 7.584 1.795 1.00 0.00 H new ATOM 521 N ASN A 45 0.066 10.202 1.454 1.00 0.00 N ATOM 522 CA ASN A 45 -0.241 11.631 1.381 1.00 0.00 C ATOM 523 C ASN A 45 0.879 12.414 0.712 1.00 0.00 C ATOM 524 O ASN A 45 0.644 13.190 -0.208 1.00 0.00 O ATOM 525 CB ASN A 45 -0.473 12.187 2.786 1.00 0.00 C ATOM 526 CG ASN A 45 -0.744 13.686 2.715 1.00 0.00 C ATOM 527 OD1 ASN A 45 -1.534 14.138 1.885 1.00 0.00 O ATOM 528 ND2 ASN A 45 -0.131 14.490 3.540 1.00 0.00 N ATOM 0 H ASN A 45 0.268 9.859 2.393 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.143 11.743 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.316 11.678 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.400 11.996 3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.306 15.494 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.523 14.114 4.227 1.00 0.00 H new ATOM 535 N ILE A 46 2.095 12.206 1.182 1.00 0.00 N ATOM 536 CA ILE A 46 3.251 12.899 0.625 1.00 0.00 C ATOM 537 C ILE A 46 3.485 12.465 -0.820 1.00 0.00 C ATOM 538 O ILE A 46 3.859 13.269 -1.672 1.00 0.00 O ATOM 539 CB ILE A 46 4.487 12.607 1.470 1.00 0.00 C ATOM 540 CG1 ILE A 46 4.182 12.925 2.938 1.00 0.00 C ATOM 541 CG2 ILE A 46 5.641 13.488 1.000 1.00 0.00 C ATOM 542 CD1 ILE A 46 4.667 11.775 3.810 1.00 0.00 C ATOM 0 H ILE A 46 2.312 11.566 1.946 1.00 0.00 H new ATOM 0 HA ILE A 46 3.058 13.972 0.637 1.00 0.00 H new ATOM 0 HB ILE A 46 4.759 11.557 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.674 13.852 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.111 13.075 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.525 13.281 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.857 13.276 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.365 14.537 1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.453 11.996 4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.155 10.858 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.742 11.647 3.679 1.00 0.00 H new ATOM 554 N LEU A 47 3.267 11.182 -1.077 1.00 0.00 N ATOM 555 CA LEU A 47 3.453 10.622 -2.407 1.00 0.00 C ATOM 556 C LEU A 47 2.528 11.293 -3.408 1.00 0.00 C ATOM 557 O LEU A 47 2.802 11.311 -4.608 1.00 0.00 O ATOM 558 CB LEU A 47 3.195 9.114 -2.381 1.00 0.00 C ATOM 559 CG LEU A 47 4.510 8.343 -2.176 1.00 0.00 C ATOM 560 CD1 LEU A 47 5.395 9.028 -1.128 1.00 0.00 C ATOM 561 CD2 LEU A 47 4.189 6.921 -1.712 1.00 0.00 C ATOM 0 H LEU A 47 2.959 10.507 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 47 4.482 10.803 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.497 8.873 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.727 8.804 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 47 5.051 8.322 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.318 8.461 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.632 10.040 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.865 9.071 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.117 6.368 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.637 6.961 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.584 6.420 -2.467 1.00 0.00 H new ATOM 573 N LYS A 48 1.431 11.845 -2.917 1.00 0.00 N ATOM 574 CA LYS A 48 0.481 12.516 -3.795 1.00 0.00 C ATOM 575 C LYS A 48 0.911 13.961 -4.035 1.00 0.00 C ATOM 576 O LYS A 48 0.331 14.661 -4.867 1.00 0.00 O ATOM 577 CB LYS A 48 -0.913 12.474 -3.163 1.00 0.00 C ATOM 578 CG LYS A 48 -1.256 13.834 -2.548 1.00 0.00 C ATOM 579 CD LYS A 48 -2.522 13.694 -1.711 1.00 0.00 C ATOM 580 CE LYS A 48 -2.861 15.040 -1.071 1.00 0.00 C ATOM 581 NZ LYS A 48 -4.079 14.894 -0.226 1.00 0.00 N ATOM 0 H LYS A 48 1.176 11.844 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 48 0.455 12.002 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.654 12.210 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.949 11.700 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.431 14.186 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.403 14.576 -3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.349 13.358 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.379 12.938 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.024 15.388 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.029 15.790 -1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.311 15.809 0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.876 14.580 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.902 14.190 0.519 1.00 0.00 H new ATOM 595 N GLU A 49 1.922 14.408 -3.293 1.00 0.00 N ATOM 596 CA GLU A 49 2.404 15.776 -3.428 1.00 0.00 C ATOM 597 C GLU A 49 3.544 15.859 -4.435 1.00 0.00 C ATOM 598 O GLU A 49 3.990 16.950 -4.786 1.00 0.00 O ATOM 599 CB GLU A 49 2.885 16.294 -2.070 1.00 0.00 C ATOM 600 CG GLU A 49 1.700 16.375 -1.107 1.00 0.00 C ATOM 601 CD GLU A 49 2.170 16.859 0.260 1.00 0.00 C ATOM 602 OE1 GLU A 49 3.349 17.140 0.394 1.00 0.00 O ATOM 603 OE2 GLU A 49 1.343 16.942 1.152 1.00 0.00 O ATOM 0 H GLU A 49 2.417 13.848 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 49 1.579 16.392 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.651 15.631 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.342 17.277 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.945 17.055 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.230 15.396 -1.013 1.00 0.00 H new ATOM 610 N LYS A 50 4.032 14.704 -4.882 1.00 0.00 N ATOM 611 CA LYS A 50 5.143 14.688 -5.829 1.00 0.00 C ATOM 612 C LYS A 50 4.650 14.332 -7.214 1.00 0.00 C ATOM 613 O LYS A 50 4.743 15.130 -8.145 1.00 0.00 O ATOM 614 CB LYS A 50 6.192 13.663 -5.392 1.00 0.00 C ATOM 615 CG LYS A 50 6.061 13.428 -3.891 1.00 0.00 C ATOM 616 CD LYS A 50 7.418 13.062 -3.295 1.00 0.00 C ATOM 617 CE LYS A 50 7.260 12.900 -1.789 1.00 0.00 C ATOM 618 NZ LYS A 50 8.584 12.575 -1.183 1.00 0.00 N ATOM 0 H LYS A 50 3.684 13.785 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 50 5.589 15.682 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.052 12.727 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.193 14.023 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.673 14.325 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.345 12.628 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.789 12.138 -3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.150 13.838 -3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.864 13.817 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.544 12.108 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.477 12.464 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.945 11.689 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.255 13.345 -1.380 1.00 0.00 H new ATOM 632 N GLY A 51 4.121 13.126 -7.341 1.00 0.00 N ATOM 633 CA GLY A 51 3.614 12.673 -8.628 1.00 0.00 C ATOM 634 C GLY A 51 3.334 11.178 -8.622 1.00 0.00 C ATOM 635 O GLY A 51 3.710 10.465 -9.553 1.00 0.00 O ATOM 0 H GLY A 51 4.032 12.451 -6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.700 13.214 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.339 12.905 -9.408 1.00 0.00 H new ATOM 639 N PHE A 52 2.668 10.703 -7.576 1.00 0.00 N ATOM 640 CA PHE A 52 2.347 9.287 -7.483 1.00 0.00 C ATOM 641 C PHE A 52 0.864 9.092 -7.220 1.00 0.00 C ATOM 642 O PHE A 52 0.340 7.992 -7.391 1.00 0.00 O ATOM 643 CB PHE A 52 3.132 8.642 -6.353 1.00 0.00 C ATOM 644 CG PHE A 52 4.605 8.871 -6.552 1.00 0.00 C ATOM 645 CD1 PHE A 52 5.282 8.227 -7.591 1.00 0.00 C ATOM 646 CD2 PHE A 52 5.297 9.722 -5.690 1.00 0.00 C ATOM 647 CE1 PHE A 52 6.650 8.437 -7.770 1.00 0.00 C ATOM 648 CE2 PHE A 52 6.665 9.932 -5.871 1.00 0.00 C ATOM 649 CZ PHE A 52 7.343 9.290 -6.911 1.00 0.00 C ATOM 0 H PHE A 52 2.344 11.269 -6.792 1.00 0.00 H new ATOM 0 HA PHE A 52 2.613 8.820 -8.431 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.817 9.059 -5.396 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.923 7.573 -6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.746 7.566 -8.256 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.775 10.217 -4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.172 7.939 -8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.201 10.592 -5.206 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.401 9.454 -7.049 1.00 0.00 H new ATOM 659 N LYS A 53 0.203 10.180 -6.820 1.00 0.00 N ATOM 660 CA LYS A 53 -1.209 10.168 -6.542 1.00 0.00 C ATOM 661 C LYS A 53 -1.702 8.762 -6.241 1.00 0.00 C ATOM 662 O LYS A 53 -2.738 8.328 -6.746 1.00 0.00 O ATOM 663 CB LYS A 53 -1.947 10.758 -7.727 1.00 0.00 C ATOM 664 CG LYS A 53 -0.978 11.525 -8.639 1.00 0.00 C ATOM 665 CD LYS A 53 -0.477 12.792 -7.930 1.00 0.00 C ATOM 666 CE LYS A 53 -1.659 13.704 -7.591 1.00 0.00 C ATOM 667 NZ LYS A 53 -1.221 15.128 -7.615 1.00 0.00 N ATOM 0 H LYS A 53 0.645 11.089 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.403 10.770 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.434 9.963 -8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.732 11.428 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.133 10.888 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.478 11.793 -9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.057 12.522 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.230 13.321 -8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.466 13.550 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.054 13.452 -6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.056 15.748 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.647 15.329 -6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.654 15.302 -8.469 1.00 0.00 H new ATOM 681 N VAL A 54 -0.941 8.050 -5.419 1.00 0.00 N ATOM 682 CA VAL A 54 -1.303 6.683 -5.064 1.00 0.00 C ATOM 683 C VAL A 54 -2.091 6.655 -3.759 1.00 0.00 C ATOM 684 O VAL A 54 -1.769 7.369 -2.808 1.00 0.00 O ATOM 685 CB VAL A 54 -0.047 5.819 -4.936 1.00 0.00 C ATOM 686 CG1 VAL A 54 0.904 6.446 -3.917 1.00 0.00 C ATOM 687 CG2 VAL A 54 -0.441 4.402 -4.491 1.00 0.00 C ATOM 0 H VAL A 54 -0.080 8.390 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.932 6.279 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 54 0.456 5.761 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.798 5.830 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.184 7.446 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.408 6.510 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.454 3.787 -4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.947 4.451 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.110 3.961 -5.230 1.00 0.00 H new ATOM 697 N ALA A 55 -3.125 5.821 -3.730 1.00 0.00 N ATOM 698 CA ALA A 55 -3.966 5.689 -2.549 1.00 0.00 C ATOM 699 C ALA A 55 -3.292 4.810 -1.496 1.00 0.00 C ATOM 700 O ALA A 55 -2.407 4.000 -1.804 1.00 0.00 O ATOM 701 CB ALA A 55 -5.318 5.092 -2.939 1.00 0.00 C ATOM 0 H ALA A 55 -3.400 5.227 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.118 6.680 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.943 4.996 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.810 5.745 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.167 4.109 -3.385 1.00 0.00 H new ATOM 707 N ARG A 56 -3.716 4.978 -0.248 1.00 0.00 N ATOM 708 CA ARG A 56 -3.152 4.207 0.850 1.00 0.00 C ATOM 709 C ARG A 56 -3.410 2.722 0.639 1.00 0.00 C ATOM 710 O ARG A 56 -2.717 1.868 1.186 1.00 0.00 O ATOM 711 CB ARG A 56 -3.786 4.628 2.172 1.00 0.00 C ATOM 712 CG ARG A 56 -2.919 4.128 3.331 1.00 0.00 C ATOM 713 CD ARG A 56 -3.608 4.430 4.660 1.00 0.00 C ATOM 714 NE ARG A 56 -4.781 3.580 4.814 1.00 0.00 N ATOM 715 CZ ARG A 56 -5.781 3.929 5.615 1.00 0.00 C ATOM 716 NH1 ARG A 56 -5.731 5.059 6.265 1.00 0.00 N ATOM 717 NH2 ARG A 56 -6.814 3.142 5.749 1.00 0.00 N ATOM 0 H ARG A 56 -4.444 5.638 0.026 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.079 4.395 0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.879 5.713 2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.793 4.218 2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.750 3.056 3.234 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.941 4.609 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.916 4.262 5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.901 5.479 4.698 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.835 2.702 4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.924 5.674 6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.499 5.328 6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.853 2.260 5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.582 3.409 6.364 1.00 0.00 H new ATOM 731 N ARG A 57 -4.429 2.435 -0.151 1.00 0.00 N ATOM 732 CA ARG A 57 -4.821 1.071 -0.447 1.00 0.00 C ATOM 733 C ARG A 57 -3.719 0.335 -1.180 1.00 0.00 C ATOM 734 O ARG A 57 -3.470 -0.835 -0.921 1.00 0.00 O ATOM 735 CB ARG A 57 -6.069 1.117 -1.315 1.00 0.00 C ATOM 736 CG ARG A 57 -7.267 1.514 -0.452 1.00 0.00 C ATOM 737 CD ARG A 57 -8.348 2.114 -1.344 1.00 0.00 C ATOM 738 NE ARG A 57 -9.571 2.344 -0.592 1.00 0.00 N ATOM 739 CZ ARG A 57 -9.734 3.451 0.125 1.00 0.00 C ATOM 740 NH1 ARG A 57 -8.768 4.327 0.193 1.00 0.00 N ATOM 741 NH2 ARG A 57 -10.855 3.664 0.758 1.00 0.00 N ATOM 0 H ARG A 57 -5.007 3.142 -0.605 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.015 0.540 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.936 1.833 -2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.243 0.144 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.656 0.643 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.962 2.235 0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.995 3.054 -1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.550 1.443 -2.179 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.314 1.646 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.893 4.160 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.889 5.178 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.609 2.980 0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.977 4.515 1.307 1.00 0.00 H new ATOM 755 N THR A 58 -3.066 1.020 -2.104 1.00 0.00 N ATOM 756 CA THR A 58 -2.007 0.415 -2.862 1.00 0.00 C ATOM 757 C THR A 58 -0.695 0.524 -2.121 1.00 0.00 C ATOM 758 O THR A 58 0.115 -0.404 -2.121 1.00 0.00 O ATOM 759 CB THR A 58 -1.875 1.119 -4.203 1.00 0.00 C ATOM 760 OG1 THR A 58 -3.167 1.444 -4.690 1.00 0.00 O ATOM 761 CG2 THR A 58 -1.161 0.195 -5.180 1.00 0.00 C ATOM 0 H THR A 58 -3.257 1.994 -2.340 1.00 0.00 H new ATOM 0 HA THR A 58 -2.247 -0.638 -3.012 1.00 0.00 H new ATOM 0 HB THR A 58 -1.298 2.037 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.086 1.900 -5.554 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.062 0.692 -6.145 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.171 -0.048 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.738 -0.722 -5.302 1.00 0.00 H new ATOM 769 N VAL A 59 -0.480 1.679 -1.513 1.00 0.00 N ATOM 770 CA VAL A 59 0.753 1.914 -0.800 1.00 0.00 C ATOM 771 C VAL A 59 0.907 0.898 0.331 1.00 0.00 C ATOM 772 O VAL A 59 2.019 0.517 0.691 1.00 0.00 O ATOM 773 CB VAL A 59 0.779 3.341 -0.249 1.00 0.00 C ATOM 774 CG1 VAL A 59 0.270 3.359 1.189 1.00 0.00 C ATOM 775 CG2 VAL A 59 2.210 3.876 -0.280 1.00 0.00 C ATOM 0 H VAL A 59 -1.139 2.458 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 59 1.589 1.795 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 59 0.136 3.968 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.293 4.380 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.753 2.984 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.906 2.726 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.227 4.893 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.850 3.240 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.576 3.878 -1.307 1.00 0.00 H new ATOM 785 N ALA A 60 -0.224 0.462 0.880 1.00 0.00 N ATOM 786 CA ALA A 60 -0.219 -0.513 1.964 1.00 0.00 C ATOM 787 C ALA A 60 -0.045 -1.932 1.421 1.00 0.00 C ATOM 788 O ALA A 60 0.323 -2.851 2.155 1.00 0.00 O ATOM 789 CB ALA A 60 -1.536 -0.432 2.734 1.00 0.00 C ATOM 0 H ALA A 60 -1.153 0.768 0.592 1.00 0.00 H new ATOM 0 HA ALA A 60 0.617 -0.284 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.530 -1.162 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.654 0.569 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.365 -0.645 2.060 1.00 0.00 H new ATOM 795 N LYS A 61 -0.325 -2.103 0.134 1.00 0.00 N ATOM 796 CA LYS A 61 -0.207 -3.408 -0.510 1.00 0.00 C ATOM 797 C LYS A 61 1.199 -3.597 -1.068 1.00 0.00 C ATOM 798 O LYS A 61 1.620 -4.714 -1.369 1.00 0.00 O ATOM 799 CB LYS A 61 -1.210 -3.480 -1.660 1.00 0.00 C ATOM 800 CG LYS A 61 -2.636 -3.382 -1.118 1.00 0.00 C ATOM 801 CD LYS A 61 -3.161 -4.762 -0.735 1.00 0.00 C ATOM 802 CE LYS A 61 -4.633 -4.630 -0.344 1.00 0.00 C ATOM 803 NZ LYS A 61 -5.195 -5.973 -0.015 1.00 0.00 N ATOM 0 H LYS A 61 -0.636 -1.354 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.407 -4.190 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.024 -2.671 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.083 -4.415 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.656 -2.725 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.287 -2.935 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.052 -5.454 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.584 -5.170 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.732 -3.965 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.196 -4.181 -1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.196 -5.875 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.116 -6.595 -0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.666 -6.386 0.779 1.00 0.00 H new ATOM 817 N TYR A 62 1.909 -2.488 -1.215 1.00 0.00 N ATOM 818 CA TYR A 62 3.266 -2.518 -1.756 1.00 0.00 C ATOM 819 C TYR A 62 4.300 -2.677 -0.650 1.00 0.00 C ATOM 820 O TYR A 62 5.331 -3.318 -0.842 1.00 0.00 O ATOM 821 CB TYR A 62 3.520 -1.228 -2.535 1.00 0.00 C ATOM 822 CG TYR A 62 3.082 -1.404 -3.970 1.00 0.00 C ATOM 823 CD1 TYR A 62 3.761 -0.722 -4.982 1.00 0.00 C ATOM 824 CD2 TYR A 62 2.021 -2.264 -4.296 1.00 0.00 C ATOM 825 CE1 TYR A 62 3.386 -0.890 -6.316 1.00 0.00 C ATOM 826 CE2 TYR A 62 1.642 -2.430 -5.632 1.00 0.00 C ATOM 827 CZ TYR A 62 2.325 -1.744 -6.645 1.00 0.00 C ATOM 828 OH TYR A 62 1.956 -1.909 -7.965 1.00 0.00 O ATOM 0 H TYR A 62 1.572 -1.557 -0.969 1.00 0.00 H new ATOM 0 HA TYR A 62 3.360 -3.378 -2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.975 -0.402 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.579 -0.971 -2.497 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.579 -0.063 -4.732 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.498 -2.797 -3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.914 -0.361 -7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.823 -3.087 -5.883 1.00 0.00 H new ATOM 0 HH TYR A 62 1.204 -2.535 -8.019 1.00 0.00 H new ATOM 838 N ARG A 63 4.024 -2.101 0.508 1.00 0.00 N ATOM 839 CA ARG A 63 4.953 -2.201 1.625 1.00 0.00 C ATOM 840 C ARG A 63 5.209 -3.662 1.974 1.00 0.00 C ATOM 841 O ARG A 63 6.277 -4.013 2.475 1.00 0.00 O ATOM 842 CB ARG A 63 4.383 -1.486 2.853 1.00 0.00 C ATOM 843 CG ARG A 63 3.008 -2.068 3.190 1.00 0.00 C ATOM 844 CD ARG A 63 2.551 -1.546 4.552 1.00 0.00 C ATOM 845 NE ARG A 63 2.468 -0.089 4.536 1.00 0.00 N ATOM 846 CZ ARG A 63 3.302 0.668 5.250 1.00 0.00 C ATOM 847 NH1 ARG A 63 4.292 0.128 5.913 1.00 0.00 N ATOM 848 NH2 ARG A 63 3.143 1.961 5.267 1.00 0.00 N ATOM 0 H ARG A 63 3.177 -1.566 0.700 1.00 0.00 H new ATOM 0 HA ARG A 63 5.891 -1.730 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.057 -1.604 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.299 -0.417 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.286 -1.791 2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.056 -3.157 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.579 -1.969 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.248 -1.869 5.325 1.00 0.00 H new ATOM 0 HE ARG A 63 1.754 0.362 3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.432 -0.882 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.924 0.717 6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.384 2.389 4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.777 2.546 5.811 1.00 0.00 H new ATOM 862 N GLU A 64 4.215 -4.505 1.721 1.00 0.00 N ATOM 863 CA GLU A 64 4.334 -5.927 2.030 1.00 0.00 C ATOM 864 C GLU A 64 4.823 -6.721 0.821 1.00 0.00 C ATOM 865 O GLU A 64 5.344 -7.828 0.965 1.00 0.00 O ATOM 866 CB GLU A 64 2.978 -6.471 2.490 1.00 0.00 C ATOM 867 CG GLU A 64 3.132 -7.931 2.922 1.00 0.00 C ATOM 868 CD GLU A 64 1.819 -8.443 3.506 1.00 0.00 C ATOM 869 OE1 GLU A 64 1.834 -9.509 4.099 1.00 0.00 O ATOM 870 OE2 GLU A 64 0.818 -7.763 3.352 1.00 0.00 O ATOM 0 H GLU A 64 3.324 -4.233 1.306 1.00 0.00 H new ATOM 0 HA GLU A 64 5.068 -6.039 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.597 -5.874 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.251 -6.395 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.423 -8.543 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.927 -8.018 3.662 1.00 0.00 H new ATOM 877 N MET A 65 4.655 -6.152 -0.367 1.00 0.00 N ATOM 878 CA MET A 65 5.082 -6.809 -1.590 1.00 0.00 C ATOM 879 C MET A 65 6.599 -6.735 -1.730 1.00 0.00 C ATOM 880 O MET A 65 7.240 -7.682 -2.186 1.00 0.00 O ATOM 881 CB MET A 65 4.376 -6.153 -2.784 1.00 0.00 C ATOM 882 CG MET A 65 5.312 -5.164 -3.477 1.00 0.00 C ATOM 883 SD MET A 65 4.398 -4.264 -4.754 1.00 0.00 S ATOM 884 CE MET A 65 4.146 -5.656 -5.882 1.00 0.00 C ATOM 0 H MET A 65 4.226 -5.237 -0.506 1.00 0.00 H new ATOM 0 HA MET A 65 4.809 -7.864 -1.558 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.057 -6.918 -3.491 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.478 -5.637 -2.445 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.724 -4.465 -2.749 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.154 -5.694 -3.922 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.976 -5.280 -6.891 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.030 -6.294 -5.876 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.280 -6.234 -5.559 1.00 0.00 H new ATOM 894 N LEU A 66 7.157 -5.598 -1.332 1.00 0.00 N ATOM 895 CA LEU A 66 8.597 -5.387 -1.404 1.00 0.00 C ATOM 896 C LEU A 66 9.318 -6.243 -0.378 1.00 0.00 C ATOM 897 O LEU A 66 9.974 -7.223 -0.727 1.00 0.00 O ATOM 898 CB LEU A 66 8.901 -3.914 -1.136 1.00 0.00 C ATOM 899 CG LEU A 66 8.719 -3.096 -2.439 1.00 0.00 C ATOM 900 CD1 LEU A 66 7.729 -1.929 -2.226 1.00 0.00 C ATOM 901 CD2 LEU A 66 10.080 -2.532 -2.897 1.00 0.00 C ATOM 0 H LEU A 66 6.633 -4.808 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 66 8.944 -5.669 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.238 -3.532 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.921 -3.805 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 66 8.317 -3.761 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.619 -1.371 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.759 -2.325 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.109 -1.267 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.946 -1.958 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.486 -1.885 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.771 -3.354 -3.082 1.00 0.00 H new ATOM 913 N GLY A 67 9.197 -5.864 0.887 1.00 0.00 N ATOM 914 CA GLY A 67 9.851 -6.612 1.955 1.00 0.00 C ATOM 915 C GLY A 67 9.765 -5.870 3.282 1.00 0.00 C ATOM 916 O GLY A 67 10.701 -5.901 4.082 1.00 0.00 O ATOM 0 H GLY A 67 8.660 -5.054 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.385 -7.593 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.897 -6.780 1.697 1.00 0.00 H new ATOM 920 N ILE A 68 8.642 -5.202 3.514 1.00 0.00 N ATOM 921 CA ILE A 68 8.461 -4.460 4.755 1.00 0.00 C ATOM 922 C ILE A 68 7.086 -4.754 5.366 1.00 0.00 C ATOM 923 O ILE A 68 6.075 -4.707 4.666 1.00 0.00 O ATOM 924 CB ILE A 68 8.588 -2.957 4.481 1.00 0.00 C ATOM 925 CG1 ILE A 68 9.939 -2.671 3.833 1.00 0.00 C ATOM 926 CG2 ILE A 68 8.488 -2.172 5.789 1.00 0.00 C ATOM 927 CD1 ILE A 68 9.728 -2.341 2.361 1.00 0.00 C ATOM 0 H ILE A 68 7.853 -5.158 2.869 1.00 0.00 H new ATOM 0 HA ILE A 68 9.231 -4.772 5.460 1.00 0.00 H new ATOM 0 HB ILE A 68 7.782 -2.651 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.429 -1.839 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.595 -3.536 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.580 -1.106 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.524 -2.369 6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.289 -2.481 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 68 10.691 -2.136 1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 68 9.255 -3.187 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 68 9.087 -1.464 2.273 1.00 0.00 H new ATOM 939 N PRO A 69 7.020 -5.043 6.644 1.00 0.00 N ATOM 940 CA PRO A 69 5.724 -5.332 7.324 1.00 0.00 C ATOM 941 C PRO A 69 4.881 -4.072 7.485 1.00 0.00 C ATOM 942 O PRO A 69 3.744 -4.008 7.019 1.00 0.00 O ATOM 943 CB PRO A 69 6.145 -5.895 8.680 1.00 0.00 C ATOM 944 CG PRO A 69 7.492 -5.310 8.944 1.00 0.00 C ATOM 945 CD PRO A 69 8.152 -5.117 7.581 1.00 0.00 C ATOM 0 HA PRO A 69 5.099 -6.021 6.756 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.435 -5.617 9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.186 -6.984 8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.406 -4.360 9.472 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.087 -5.972 9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.753 -4.208 7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.817 -5.946 7.339 1.00 0.00 H new ATOM 953 N SER A 70 5.456 -3.070 8.141 1.00 0.00 N ATOM 954 CA SER A 70 4.759 -1.804 8.354 1.00 0.00 C ATOM 955 C SER A 70 5.735 -0.629 8.360 1.00 0.00 C ATOM 956 O SER A 70 5.344 0.514 8.606 1.00 0.00 O ATOM 957 CB SER A 70 4.007 -1.843 9.677 1.00 0.00 C ATOM 958 OG SER A 70 4.940 -1.833 10.751 1.00 0.00 O ATOM 0 H SER A 70 6.397 -3.108 8.533 1.00 0.00 H new ATOM 0 HA SER A 70 4.056 -1.665 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.338 -0.985 9.753 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.386 -2.737 9.729 1.00 0.00 H new ATOM 0 HG SER A 70 4.458 -1.856 11.604 1.00 0.00 H new ATOM 964 N SER A 71 7.001 -0.919 8.105 1.00 0.00 N ATOM 965 CA SER A 71 8.035 0.114 8.092 1.00 0.00 C ATOM 966 C SER A 71 8.298 0.623 9.506 1.00 0.00 C ATOM 967 O SER A 71 9.305 1.283 9.762 1.00 0.00 O ATOM 968 CB SER A 71 7.601 1.282 7.204 1.00 0.00 C ATOM 969 OG SER A 71 6.716 0.804 6.199 1.00 0.00 O ATOM 0 H SER A 71 7.341 -1.859 7.904 1.00 0.00 H new ATOM 0 HA SER A 71 8.951 -0.323 7.694 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.109 2.047 7.804 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.473 1.749 6.745 1.00 0.00 H new ATOM 0 HG SER A 71 6.372 1.560 5.679 1.00 0.00 H new ATOM 975 N ARG A 72 7.390 0.305 10.417 1.00 0.00 N ATOM 976 CA ARG A 72 7.529 0.722 11.805 1.00 0.00 C ATOM 977 C ARG A 72 8.329 -0.309 12.591 1.00 0.00 C ATOM 978 O ARG A 72 9.045 0.027 13.535 1.00 0.00 O ATOM 979 CB ARG A 72 6.149 0.901 12.439 1.00 0.00 C ATOM 980 CG ARG A 72 6.307 1.417 13.870 1.00 0.00 C ATOM 981 CD ARG A 72 4.926 1.621 14.498 1.00 0.00 C ATOM 982 NE ARG A 72 5.062 2.240 15.811 1.00 0.00 N ATOM 983 CZ ARG A 72 5.205 1.501 16.907 1.00 0.00 C ATOM 984 NH1 ARG A 72 5.240 0.200 16.815 1.00 0.00 N ATOM 985 NH2 ARG A 72 5.317 2.077 18.072 1.00 0.00 N ATOM 0 H ARG A 72 6.550 -0.240 10.221 1.00 0.00 H new ATOM 0 HA ARG A 72 8.061 1.673 11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.556 1.602 11.852 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.612 -0.048 12.441 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.885 0.707 14.461 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.860 2.356 13.870 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.313 2.250 13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.414 0.663 14.590 1.00 0.00 H new ATOM 0 HE ARG A 72 5.047 3.257 15.890 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.158 -0.249 15.903 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.350 -0.368 17.655 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.295 3.094 18.142 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.427 1.510 18.913 1.00 0.00 H new ATOM 999 N GLU A 73 8.185 -1.570 12.203 1.00 0.00 N ATOM 1000 CA GLU A 73 8.880 -2.656 12.883 1.00 0.00 C ATOM 1001 C GLU A 73 10.376 -2.575 12.632 1.00 0.00 C ATOM 1002 O GLU A 73 11.181 -2.835 13.526 1.00 0.00 O ATOM 1003 CB GLU A 73 8.369 -4.010 12.392 1.00 0.00 C ATOM 1004 CG GLU A 73 6.865 -3.928 12.162 1.00 0.00 C ATOM 1005 CD GLU A 73 6.313 -5.307 11.817 1.00 0.00 C ATOM 1006 OE1 GLU A 73 5.105 -5.425 11.692 1.00 0.00 O ATOM 1007 OE2 GLU A 73 7.107 -6.224 11.680 1.00 0.00 O ATOM 0 H GLU A 73 7.596 -1.865 11.424 1.00 0.00 H new ATOM 0 HA GLU A 73 8.685 -2.558 13.951 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.875 -4.289 11.468 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.595 -4.784 13.125 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.373 -3.544 13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.650 -3.229 11.354 1.00 0.00 H new ATOM 1014 N ARG A 74 10.744 -2.225 11.406 1.00 0.00 N ATOM 1015 CA ARG A 74 12.149 -2.131 11.055 1.00 0.00 C ATOM 1016 C ARG A 74 12.826 -1.051 11.882 1.00 0.00 C ATOM 1017 O ARG A 74 13.958 -1.224 12.332 1.00 0.00 O ATOM 1018 CB ARG A 74 12.310 -1.807 9.570 1.00 0.00 C ATOM 1019 CG ARG A 74 11.883 -3.013 8.732 1.00 0.00 C ATOM 1020 CD ARG A 74 12.049 -2.677 7.248 1.00 0.00 C ATOM 1021 NE ARG A 74 13.463 -2.493 6.935 1.00 0.00 N ATOM 1022 CZ ARG A 74 13.856 -2.059 5.741 1.00 0.00 C ATOM 1023 NH1 ARG A 74 12.972 -1.763 4.830 1.00 0.00 N ATOM 1024 NH2 ARG A 74 15.128 -1.924 5.485 1.00 0.00 N ATOM 0 H ARG A 74 10.096 -2.005 10.649 1.00 0.00 H new ATOM 0 HA ARG A 74 12.617 -3.093 11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.706 -0.938 9.309 1.00 0.00 H new ATOM 0 HB3 ARG A 74 13.347 -1.550 9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.487 -3.883 8.990 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.846 -3.271 8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.633 -3.478 6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 74 11.493 -1.771 7.007 1.00 0.00 H new ATOM 0 HE ARG A 74 14.164 -2.702 7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.977 -1.864 5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.275 -1.430 3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.819 -2.151 6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 74 15.432 -1.591 4.570 1.00 0.00 H new