USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 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 29 HIS : no HD1:sc= -3.23 K(o=-3.6,f=-7.7!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.392 USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.0619 X(o=0.062,f=-0.14) USER MOD Set 2.2: A 61 TYR OH : rot -23:sc= 0.124 USER MOD Set 3.1: A 13 MET CE :methyl 160:sc= -7.34! (180deg=-7.7!) USER MOD Set 3.2: A 52 GLN : amide:sc= -1.22 K(o=-8.6,f=-9.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 176:sc= 0 (180deg=-0.0205) USER MOD Single : A 15 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.4) USER MOD Single : A 19 ASN : amide:sc= -1.49 X(o=-1.5,f=-1) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 156:sc= -0.0287 (180deg=-0.478) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 24:sc= 0.601 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= -0.22 (180deg=-0.296) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.09 K(o=-2.1,f=-7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 145:sc= 0.789 USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= 0.0148 (180deg=-0.0136) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.646 10.791 -16.017 1.00 0.00 N ATOM 2 CA GLY A 1 -6.079 9.893 -15.027 1.00 0.00 C ATOM 3 C GLY A 1 -7.128 9.316 -14.098 1.00 0.00 C ATOM 4 O GLY A 1 -7.354 8.106 -14.081 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.888 11.158 -16.627 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.338 10.276 -16.597 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.118 11.583 -15.537 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.560 9.079 -15.534 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.334 10.429 -14.440 1.00 0.00 H new ATOM 8 N SER A 2 -7.771 10.183 -13.322 1.00 0.00 N ATOM 9 CA SER A 2 -8.799 9.752 -12.382 1.00 0.00 C ATOM 10 C SER A 2 -10.183 9.829 -13.017 1.00 0.00 C ATOM 11 O SER A 2 -11.088 10.472 -12.485 1.00 0.00 O ATOM 12 CB SER A 2 -8.756 10.612 -11.118 1.00 0.00 C ATOM 13 OG SER A 2 -9.230 9.891 -9.994 1.00 0.00 O ATOM 0 H SER A 2 -7.598 11.188 -13.326 1.00 0.00 H new ATOM 0 HA SER A 2 -8.600 8.714 -12.114 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.734 10.945 -10.936 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.362 11.506 -11.262 1.00 0.00 H new ATOM 0 HG SER A 2 -9.191 10.462 -9.199 1.00 0.00 H new ATOM 19 N SER A 3 -10.341 9.169 -14.160 1.00 0.00 N ATOM 20 CA SER A 3 -11.614 9.166 -14.872 1.00 0.00 C ATOM 21 C SER A 3 -12.361 7.856 -14.642 1.00 0.00 C ATOM 22 O SER A 3 -11.879 6.782 -15.001 1.00 0.00 O ATOM 23 CB SER A 3 -11.386 9.381 -16.369 1.00 0.00 C ATOM 24 OG SER A 3 -10.621 10.550 -16.606 1.00 0.00 O ATOM 0 H SER A 3 -9.603 8.629 -14.613 1.00 0.00 H new ATOM 0 HA SER A 3 -12.222 9.984 -14.484 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.874 8.516 -16.790 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.346 9.462 -16.878 1.00 0.00 H new ATOM 0 HG SER A 3 -10.488 10.664 -17.570 1.00 0.00 H new ATOM 30 N GLY A 4 -13.543 7.953 -14.041 1.00 0.00 N ATOM 31 CA GLY A 4 -14.339 6.769 -13.774 1.00 0.00 C ATOM 32 C GLY A 4 -13.873 6.025 -12.538 1.00 0.00 C ATOM 33 O GLY A 4 -13.260 6.611 -11.646 1.00 0.00 O ATOM 0 H GLY A 4 -13.964 8.830 -13.734 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.383 7.057 -13.649 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.293 6.102 -14.635 1.00 0.00 H new ATOM 37 N SER A 5 -14.166 4.729 -12.484 1.00 0.00 N ATOM 38 CA SER A 5 -13.778 3.905 -11.345 1.00 0.00 C ATOM 39 C SER A 5 -12.578 3.028 -11.693 1.00 0.00 C ATOM 40 O SER A 5 -12.701 2.057 -12.439 1.00 0.00 O ATOM 41 CB SER A 5 -14.951 3.030 -10.899 1.00 0.00 C ATOM 42 OG SER A 5 -15.738 3.692 -9.924 1.00 0.00 O ATOM 0 H SER A 5 -14.670 4.228 -13.215 1.00 0.00 H new ATOM 0 HA SER A 5 -13.497 4.568 -10.527 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.569 2.778 -11.761 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.575 2.092 -10.492 1.00 0.00 H new ATOM 0 HG SER A 5 -16.482 3.113 -9.656 1.00 0.00 H new ATOM 48 N SER A 6 -11.419 3.379 -11.146 1.00 0.00 N ATOM 49 CA SER A 6 -10.195 2.627 -11.400 1.00 0.00 C ATOM 50 C SER A 6 -9.847 1.738 -10.211 1.00 0.00 C ATOM 51 O SER A 6 -9.604 2.224 -9.107 1.00 0.00 O ATOM 52 CB SER A 6 -9.037 3.582 -11.694 1.00 0.00 C ATOM 53 OG SER A 6 -7.994 2.920 -12.389 1.00 0.00 O ATOM 0 H SER A 6 -11.301 4.179 -10.524 1.00 0.00 H new ATOM 0 HA SER A 6 -10.362 1.991 -12.270 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.397 4.423 -12.287 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.653 3.992 -10.760 1.00 0.00 H new ATOM 0 HG SER A 6 -7.267 3.552 -12.567 1.00 0.00 H new ATOM 59 N GLY A 7 -9.825 0.429 -10.445 1.00 0.00 N ATOM 60 CA GLY A 7 -9.505 -0.509 -9.385 1.00 0.00 C ATOM 61 C GLY A 7 -8.048 -0.925 -9.398 1.00 0.00 C ATOM 62 O GLY A 7 -7.373 -0.820 -10.422 1.00 0.00 O ATOM 0 H GLY A 7 -10.023 0.002 -11.350 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.742 -0.058 -8.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.133 -1.394 -9.486 1.00 0.00 H new ATOM 66 N LYS A 8 -7.559 -1.398 -8.257 1.00 0.00 N ATOM 67 CA LYS A 8 -6.172 -1.831 -8.139 1.00 0.00 C ATOM 68 C LYS A 8 -6.040 -3.322 -8.435 1.00 0.00 C ATOM 69 O LYS A 8 -6.970 -4.103 -8.235 1.00 0.00 O ATOM 70 CB LYS A 8 -5.639 -1.529 -6.737 1.00 0.00 C ATOM 71 CG LYS A 8 -5.397 -0.052 -6.482 1.00 0.00 C ATOM 72 CD LYS A 8 -4.566 0.576 -7.589 1.00 0.00 C ATOM 73 CE LYS A 8 -5.445 1.145 -8.692 1.00 0.00 C ATOM 74 NZ LYS A 8 -5.798 2.569 -8.441 1.00 0.00 N ATOM 0 H LYS A 8 -8.104 -1.491 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.582 -1.280 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.348 -1.905 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.706 -2.072 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.353 0.466 -6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.887 0.075 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.944 1.368 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.892 -0.171 -8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.927 1.062 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.357 0.553 -8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.398 2.920 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.314 2.645 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.929 3.138 -8.391 1.00 0.00 H new ATOM 88 N PRO A 9 -4.858 -3.727 -8.921 1.00 0.00 N ATOM 89 CA PRO A 9 -4.576 -5.127 -9.252 1.00 0.00 C ATOM 90 C PRO A 9 -4.479 -6.008 -8.012 1.00 0.00 C ATOM 91 O PRO A 9 -3.649 -5.771 -7.135 1.00 0.00 O ATOM 92 CB PRO A 9 -3.224 -5.058 -9.966 1.00 0.00 C ATOM 93 CG PRO A 9 -2.583 -3.819 -9.444 1.00 0.00 C ATOM 94 CD PRO A 9 -3.704 -2.851 -9.184 1.00 0.00 C ATOM 0 HA PRO A 9 -5.369 -5.571 -9.854 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.618 -5.938 -9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.349 -5.013 -11.048 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.024 -4.024 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.875 -3.412 -10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.488 -2.205 -8.333 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.880 -2.201 -10.041 1.00 0.00 H new ATOM 102 N GLU A 10 -5.333 -7.025 -7.945 1.00 0.00 N ATOM 103 CA GLU A 10 -5.342 -7.941 -6.810 1.00 0.00 C ATOM 104 C GLU A 10 -4.031 -8.718 -6.728 1.00 0.00 C ATOM 105 O GLU A 10 -3.383 -8.754 -5.681 1.00 0.00 O ATOM 106 CB GLU A 10 -6.517 -8.914 -6.921 1.00 0.00 C ATOM 107 CG GLU A 10 -6.577 -9.648 -8.250 1.00 0.00 C ATOM 108 CD GLU A 10 -7.861 -10.435 -8.425 1.00 0.00 C ATOM 109 OE1 GLU A 10 -8.004 -11.490 -7.771 1.00 0.00 O ATOM 110 OE2 GLU A 10 -8.724 -9.998 -9.215 1.00 0.00 O ATOM 0 H GLU A 10 -6.027 -7.235 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.453 -7.351 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.450 -9.645 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.447 -8.365 -6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.483 -8.928 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.727 -10.326 -8.325 1.00 0.00 H new ATOM 117 N TRP A 11 -3.647 -9.338 -7.837 1.00 0.00 N ATOM 118 CA TRP A 11 -2.414 -10.115 -7.891 1.00 0.00 C ATOM 119 C TRP A 11 -1.259 -9.347 -7.258 1.00 0.00 C ATOM 120 O TRP A 11 -0.515 -9.889 -6.440 1.00 0.00 O ATOM 121 CB TRP A 11 -2.073 -10.471 -9.339 1.00 0.00 C ATOM 122 CG TRP A 11 -1.787 -9.274 -10.193 1.00 0.00 C ATOM 123 CD1 TRP A 11 -2.651 -8.652 -11.049 1.00 0.00 C ATOM 124 CD2 TRP A 11 -0.552 -8.555 -10.276 1.00 0.00 C ATOM 125 NE1 TRP A 11 -2.027 -7.591 -11.659 1.00 0.00 N ATOM 126 CE2 TRP A 11 -0.739 -7.509 -11.200 1.00 0.00 C ATOM 127 CE3 TRP A 11 0.694 -8.692 -9.657 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.274 -6.608 -11.520 1.00 0.00 C ATOM 129 CZ3 TRP A 11 1.698 -7.798 -9.975 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.483 -6.766 -10.899 1.00 0.00 C ATOM 0 H TRP A 11 -4.171 -9.318 -8.712 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.568 -11.034 -7.326 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.206 -11.131 -9.349 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.903 -11.029 -9.774 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.675 -8.951 -11.221 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.454 -6.966 -12.343 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.869 -9.483 -8.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.111 -5.813 -12.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.665 -7.896 -9.504 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.288 -6.082 -11.125 1.00 0.00 H new ATOM 141 N MET A 12 -1.114 -8.083 -7.642 1.00 0.00 N ATOM 142 CA MET A 12 -0.049 -7.241 -7.110 1.00 0.00 C ATOM 143 C MET A 12 0.201 -7.546 -5.636 1.00 0.00 C ATOM 144 O MET A 12 -0.738 -7.742 -4.866 1.00 0.00 O ATOM 145 CB MET A 12 -0.403 -5.763 -7.283 1.00 0.00 C ATOM 146 CG MET A 12 0.227 -5.127 -8.511 1.00 0.00 C ATOM 147 SD MET A 12 2.029 -5.195 -8.481 1.00 0.00 S ATOM 148 CE MET A 12 2.439 -3.749 -9.455 1.00 0.00 C ATOM 0 H MET A 12 -1.720 -7.620 -8.319 1.00 0.00 H new ATOM 0 HA MET A 12 0.862 -7.457 -7.667 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.486 -5.662 -7.347 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.084 -5.215 -6.396 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.137 -5.633 -9.405 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.092 -4.087 -8.581 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.521 -3.614 -9.469 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.077 -3.882 -10.474 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.969 -2.869 -9.016 1.00 0.00 H new ATOM 158 N MET A 13 1.473 -7.585 -5.252 1.00 0.00 N ATOM 159 CA MET A 13 1.844 -7.866 -3.870 1.00 0.00 C ATOM 160 C MET A 13 2.379 -6.612 -3.185 1.00 0.00 C ATOM 161 O MET A 13 3.026 -5.776 -3.817 1.00 0.00 O ATOM 162 CB MET A 13 2.895 -8.976 -3.817 1.00 0.00 C ATOM 163 CG MET A 13 2.716 -10.033 -4.895 1.00 0.00 C ATOM 164 SD MET A 13 1.720 -11.430 -4.339 1.00 0.00 S ATOM 165 CE MET A 13 0.234 -10.590 -3.797 1.00 0.00 C ATOM 0 H MET A 13 2.263 -7.426 -5.877 1.00 0.00 H new ATOM 0 HA MET A 13 0.950 -8.196 -3.340 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.886 -8.532 -3.915 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.856 -9.456 -2.839 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.245 -9.580 -5.768 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.695 -10.393 -5.212 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.593 -11.299 -3.762 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.395 -10.171 -2.804 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.005 -9.787 -4.495 1.00 0.00 H new ATOM 175 N ILE A 14 2.103 -6.486 -1.891 1.00 0.00 N ATOM 176 CA ILE A 14 2.557 -5.335 -1.122 1.00 0.00 C ATOM 177 C ILE A 14 3.755 -5.694 -0.249 1.00 0.00 C ATOM 178 O ILE A 14 3.598 -6.101 0.902 1.00 0.00 O ATOM 179 CB ILE A 14 1.434 -4.777 -0.228 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.281 -4.252 -1.087 1.00 0.00 C ATOM 181 CG2 ILE A 14 1.972 -3.676 0.674 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.794 -3.548 -0.290 1.00 0.00 C ATOM 0 H ILE A 14 1.567 -7.167 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 14 2.851 -4.571 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 14 1.057 -5.584 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.678 -3.564 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.167 -5.085 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.166 -3.292 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.763 -4.078 1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.373 -2.868 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.579 -3.203 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.219 -4.239 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.361 -2.694 0.231 1.00 0.00 H new ATOM 194 N HIS A 15 4.953 -5.538 -0.805 1.00 0.00 N ATOM 195 CA HIS A 15 6.179 -5.843 -0.076 1.00 0.00 C ATOM 196 C HIS A 15 6.047 -5.460 1.394 1.00 0.00 C ATOM 197 O HIS A 15 6.087 -6.319 2.276 1.00 0.00 O ATOM 198 CB HIS A 15 7.365 -5.109 -0.702 1.00 0.00 C ATOM 199 CG HIS A 15 8.696 -5.650 -0.278 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.738 -5.859 -1.156 1.00 0.00 N ATOM 201 CD2 HIS A 15 9.151 -6.024 0.941 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.777 -6.340 -0.497 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.447 -6.449 0.778 1.00 0.00 N ATOM 0 H HIS A 15 5.100 -5.203 -1.757 1.00 0.00 H new ATOM 0 HA HIS A 15 6.352 -6.917 -0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.287 -5.169 -1.788 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.310 -4.053 -0.436 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.598 -5.994 1.868 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.733 -6.600 -0.927 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.056 -6.793 1.521 1.00 0.00 H new ATOM 212 N ARG A 16 5.890 -4.166 1.652 1.00 0.00 N ATOM 213 CA ARG A 16 5.754 -3.669 3.016 1.00 0.00 C ATOM 214 C ARG A 16 5.471 -2.170 3.023 1.00 0.00 C ATOM 215 O ARG A 16 5.952 -1.433 2.161 1.00 0.00 O ATOM 216 CB ARG A 16 7.024 -3.963 3.817 1.00 0.00 C ATOM 217 CG ARG A 16 8.232 -3.163 3.359 1.00 0.00 C ATOM 218 CD ARG A 16 9.244 -2.991 4.481 1.00 0.00 C ATOM 219 NE ARG A 16 8.989 -1.788 5.268 1.00 0.00 N ATOM 220 CZ ARG A 16 9.654 -1.480 6.376 1.00 0.00 C ATOM 221 NH1 ARG A 16 10.609 -2.282 6.824 1.00 0.00 N ATOM 222 NH2 ARG A 16 9.364 -0.367 7.038 1.00 0.00 N ATOM 0 H ARG A 16 5.854 -3.442 0.934 1.00 0.00 H new ATOM 0 HA ARG A 16 4.912 -4.182 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.837 -3.751 4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.253 -5.026 3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.704 -3.666 2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.909 -2.184 3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.214 -3.864 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.248 -2.942 4.059 1.00 0.00 H new ATOM 0 HE ARG A 16 8.260 -1.149 4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.835 -3.138 6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.118 -2.043 7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.630 0.253 6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.875 -0.132 7.889 1.00 0.00 H new ATOM 236 N ILE A 17 4.688 -1.726 4.000 1.00 0.00 N ATOM 237 CA ILE A 17 4.341 -0.315 4.119 1.00 0.00 C ATOM 238 C ILE A 17 5.565 0.524 4.474 1.00 0.00 C ATOM 239 O ILE A 17 5.892 0.698 5.648 1.00 0.00 O ATOM 240 CB ILE A 17 3.252 -0.090 5.184 1.00 0.00 C ATOM 241 CG1 ILE A 17 1.909 -0.637 4.696 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.137 1.389 5.520 1.00 0.00 C ATOM 243 CD1 ILE A 17 0.880 -0.781 5.794 1.00 0.00 C ATOM 0 H ILE A 17 4.282 -2.323 4.721 1.00 0.00 H new ATOM 0 HA ILE A 17 3.957 -0.002 3.148 1.00 0.00 H new ATOM 0 HB ILE A 17 3.534 -0.627 6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.515 0.025 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.070 -1.609 4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.363 1.532 6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.091 1.750 5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.875 1.947 4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.047 -1.174 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.253 -1.466 6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.690 0.193 6.245 1.00 0.00 H new ATOM 255 N LEU A 18 6.236 1.043 3.452 1.00 0.00 N ATOM 256 CA LEU A 18 7.423 1.866 3.655 1.00 0.00 C ATOM 257 C LEU A 18 7.146 2.984 4.655 1.00 0.00 C ATOM 258 O LEU A 18 7.867 3.142 5.639 1.00 0.00 O ATOM 259 CB LEU A 18 7.890 2.460 2.325 1.00 0.00 C ATOM 260 CG LEU A 18 8.051 1.473 1.169 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.651 2.165 -0.045 1.00 0.00 C ATOM 262 CD2 LEU A 18 8.912 0.292 1.592 1.00 0.00 C ATOM 0 H LEU A 18 5.978 0.909 2.474 1.00 0.00 H new ATOM 0 HA LEU A 18 8.211 1.230 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.178 3.229 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.846 2.957 2.488 1.00 0.00 H new ATOM 0 HG LEU A 18 7.064 1.098 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.758 1.446 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.996 2.976 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.630 2.569 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.016 -0.400 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.897 0.649 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.441 -0.220 2.431 1.00 0.00 H new ATOM 274 N ASN A 19 6.095 3.755 4.397 1.00 0.00 N ATOM 275 CA ASN A 19 5.721 4.857 5.276 1.00 0.00 C ATOM 276 C ASN A 19 4.289 5.309 5.003 1.00 0.00 C ATOM 277 O ASN A 19 3.582 4.709 4.193 1.00 0.00 O ATOM 278 CB ASN A 19 6.683 6.033 5.090 1.00 0.00 C ATOM 279 CG ASN A 19 6.797 6.888 6.338 1.00 0.00 C ATOM 280 OD1 ASN A 19 7.328 6.449 7.358 1.00 0.00 O ATOM 281 ND2 ASN A 19 6.298 8.116 6.261 1.00 0.00 N ATOM 0 H ASN A 19 5.487 3.637 3.586 1.00 0.00 H new ATOM 0 HA ASN A 19 5.782 4.505 6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.669 5.654 4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.342 6.651 4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.346 8.738 7.068 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.867 8.438 5.395 1.00 0.00 H new ATOM 288 N HIS A 20 3.869 6.370 5.685 1.00 0.00 N ATOM 289 CA HIS A 20 2.522 6.903 5.516 1.00 0.00 C ATOM 290 C HIS A 20 2.536 8.428 5.530 1.00 0.00 C ATOM 291 O HIS A 20 3.324 9.045 6.248 1.00 0.00 O ATOM 292 CB HIS A 20 1.601 6.379 6.618 1.00 0.00 C ATOM 293 CG HIS A 20 1.770 7.088 7.927 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.656 6.673 8.898 1.00 0.00 N ATOM 295 CD2 HIS A 20 1.161 8.191 8.421 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.584 7.489 9.934 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.684 8.419 9.670 1.00 0.00 N ATOM 0 H HIS A 20 4.442 6.877 6.359 1.00 0.00 H new ATOM 0 HA HIS A 20 2.144 6.570 4.549 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.566 6.477 6.292 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.790 5.315 6.763 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.405 8.782 7.925 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.163 7.409 10.842 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.420 9.183 10.293 1.00 0.00 H new ATOM 306 N SER A 21 1.660 9.031 4.733 1.00 0.00 N ATOM 307 CA SER A 21 1.575 10.484 4.651 1.00 0.00 C ATOM 308 C SER A 21 0.144 10.929 4.362 1.00 0.00 C ATOM 309 O SER A 21 -0.440 10.557 3.344 1.00 0.00 O ATOM 310 CB SER A 21 2.514 11.011 3.564 1.00 0.00 C ATOM 311 OG SER A 21 2.170 12.333 3.189 1.00 0.00 O ATOM 0 H SER A 21 0.999 8.536 4.135 1.00 0.00 H new ATOM 0 HA SER A 21 1.878 10.896 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.542 10.988 3.925 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.468 10.359 2.692 1.00 0.00 H new ATOM 0 HG SER A 21 2.786 12.647 2.494 1.00 0.00 H new ATOM 317 N VAL A 22 -0.414 11.729 5.265 1.00 0.00 N ATOM 318 CA VAL A 22 -1.776 12.227 5.108 1.00 0.00 C ATOM 319 C VAL A 22 -1.780 13.694 4.694 1.00 0.00 C ATOM 320 O VAL A 22 -1.337 14.563 5.446 1.00 0.00 O ATOM 321 CB VAL A 22 -2.584 12.069 6.409 1.00 0.00 C ATOM 322 CG1 VAL A 22 -1.737 12.448 7.614 1.00 0.00 C ATOM 323 CG2 VAL A 22 -3.852 12.907 6.353 1.00 0.00 C ATOM 0 H VAL A 22 0.056 12.046 6.113 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.243 11.631 4.324 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.871 11.023 6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.325 12.330 8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.861 11.801 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.416 13.486 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.411 12.783 7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.589 13.957 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.466 12.582 5.513 1.00 0.00 H new ATOM 333 N ASP A 23 -2.285 13.963 3.495 1.00 0.00 N ATOM 334 CA ASP A 23 -2.349 15.326 2.982 1.00 0.00 C ATOM 335 C ASP A 23 -3.435 16.125 3.695 1.00 0.00 C ATOM 336 O ASP A 23 -4.230 15.572 4.455 1.00 0.00 O ATOM 337 CB ASP A 23 -2.614 15.315 1.475 1.00 0.00 C ATOM 338 CG ASP A 23 -2.094 16.561 0.786 1.00 0.00 C ATOM 339 OD1 ASP A 23 -0.994 17.025 1.151 1.00 0.00 O ATOM 340 OD2 ASP A 23 -2.788 17.073 -0.117 1.00 0.00 O ATOM 0 H ASP A 23 -2.656 13.255 2.861 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.388 15.804 3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.144 14.436 1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.686 15.226 1.298 1.00 0.00 H new ATOM 345 N LYS A 24 -3.463 17.430 3.446 1.00 0.00 N ATOM 346 CA LYS A 24 -4.451 18.307 4.063 1.00 0.00 C ATOM 347 C LYS A 24 -5.853 17.722 3.935 1.00 0.00 C ATOM 348 O LYS A 24 -6.637 17.747 4.884 1.00 0.00 O ATOM 349 CB LYS A 24 -4.405 19.695 3.420 1.00 0.00 C ATOM 350 CG LYS A 24 -3.341 20.604 4.010 1.00 0.00 C ATOM 351 CD LYS A 24 -3.746 22.066 3.923 1.00 0.00 C ATOM 352 CE LYS A 24 -3.630 22.593 2.501 1.00 0.00 C ATOM 353 NZ LYS A 24 -4.875 22.354 1.718 1.00 0.00 N ATOM 0 H LYS A 24 -2.812 17.904 2.820 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.209 18.396 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.225 19.585 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.380 20.170 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.168 20.335 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.399 20.454 3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.772 22.182 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.115 22.659 4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.416 23.661 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.789 22.111 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.934 23.043 0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.859 21.391 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.702 22.461 2.340 1.00 0.00 H new ATOM 367 N LYS A 25 -6.163 17.194 2.756 1.00 0.00 N ATOM 368 CA LYS A 25 -7.471 16.599 2.503 1.00 0.00 C ATOM 369 C LYS A 25 -7.896 15.707 3.665 1.00 0.00 C ATOM 370 O LYS A 25 -9.070 15.663 4.029 1.00 0.00 O ATOM 371 CB LYS A 25 -7.442 15.787 1.206 1.00 0.00 C ATOM 372 CG LYS A 25 -7.192 16.629 -0.033 1.00 0.00 C ATOM 373 CD LYS A 25 -8.492 17.133 -0.637 1.00 0.00 C ATOM 374 CE LYS A 25 -9.099 16.110 -1.585 1.00 0.00 C ATOM 375 NZ LYS A 25 -8.431 16.122 -2.916 1.00 0.00 N ATOM 0 H LYS A 25 -5.526 17.166 1.960 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.197 17.406 2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.665 15.026 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.391 15.263 1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.557 17.477 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.651 16.038 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.201 17.358 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.308 18.064 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.017 15.115 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.162 16.317 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.873 15.411 -3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.531 17.064 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.422 15.900 -2.800 1.00 0.00 H new ATOM 389 N GLY A 26 -6.932 14.997 4.244 1.00 0.00 N ATOM 390 CA GLY A 26 -7.227 14.117 5.359 1.00 0.00 C ATOM 391 C GLY A 26 -7.089 12.652 4.994 1.00 0.00 C ATOM 392 O GLY A 26 -7.011 11.791 5.871 1.00 0.00 O ATOM 0 H GLY A 26 -5.952 15.016 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.556 14.347 6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.242 14.307 5.709 1.00 0.00 H new ATOM 396 N HIS A 27 -7.061 12.368 3.696 1.00 0.00 N ATOM 397 CA HIS A 27 -6.933 10.996 3.216 1.00 0.00 C ATOM 398 C HIS A 27 -5.518 10.472 3.442 1.00 0.00 C ATOM 399 O HIS A 27 -4.589 10.828 2.716 1.00 0.00 O ATOM 400 CB HIS A 27 -7.287 10.917 1.731 1.00 0.00 C ATOM 401 CG HIS A 27 -8.761 10.872 1.469 1.00 0.00 C ATOM 402 ND1 HIS A 27 -9.375 9.834 0.800 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.745 11.744 1.791 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.672 10.070 0.721 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.923 11.223 1.315 1.00 0.00 N ATOM 0 H HIS A 27 -7.125 13.069 2.958 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.627 10.374 3.780 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.861 11.779 1.218 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.823 10.029 1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.626 12.676 2.323 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.403 9.429 0.251 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.842 11.656 1.405 1.00 0.00 H new ATOM 414 N VAL A 28 -5.360 9.624 4.454 1.00 0.00 N ATOM 415 CA VAL A 28 -4.059 9.050 4.775 1.00 0.00 C ATOM 416 C VAL A 28 -3.543 8.183 3.632 1.00 0.00 C ATOM 417 O VAL A 28 -4.286 7.385 3.060 1.00 0.00 O ATOM 418 CB VAL A 28 -4.121 8.203 6.060 1.00 0.00 C ATOM 419 CG1 VAL A 28 -2.812 7.459 6.272 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.446 9.079 7.260 1.00 0.00 C ATOM 0 H VAL A 28 -6.117 9.320 5.066 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.375 9.884 4.931 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.917 7.466 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.874 6.866 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.626 6.801 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.996 8.176 6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.486 8.464 8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.674 9.840 7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.411 9.562 7.107 1.00 0.00 H new ATOM 430 N HIS A 29 -2.265 8.346 3.304 1.00 0.00 N ATOM 431 CA HIS A 29 -1.649 7.576 2.229 1.00 0.00 C ATOM 432 C HIS A 29 -0.542 6.677 2.770 1.00 0.00 C ATOM 433 O HIS A 29 0.119 7.012 3.754 1.00 0.00 O ATOM 434 CB HIS A 29 -1.083 8.514 1.162 1.00 0.00 C ATOM 435 CG HIS A 29 -2.122 9.373 0.508 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.464 9.292 0.811 1.00 0.00 N ATOM 437 CD2 HIS A 29 -2.008 10.337 -0.436 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.132 10.168 0.080 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.271 10.815 -0.684 1.00 0.00 N ATOM 0 H HIS A 29 -1.637 9.003 3.766 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.417 6.947 1.780 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.327 9.155 1.617 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.580 7.921 0.398 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.094 10.668 -0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.200 10.327 0.104 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.506 11.551 -1.350 1.00 0.00 H new ATOM 448 N TYR A 30 -0.345 5.534 2.122 1.00 0.00 N ATOM 449 CA TYR A 30 0.679 4.585 2.541 1.00 0.00 C ATOM 450 C TYR A 30 1.619 4.253 1.386 1.00 0.00 C ATOM 451 O TYR A 30 1.195 3.728 0.356 1.00 0.00 O ATOM 452 CB TYR A 30 0.032 3.304 3.070 1.00 0.00 C ATOM 453 CG TYR A 30 -0.851 3.526 4.277 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.303 3.669 5.546 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.233 3.592 4.149 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.106 3.871 6.652 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.044 3.795 5.249 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.476 3.934 6.498 1.00 0.00 C ATOM 459 OH TYR A 30 -3.280 4.136 7.597 1.00 0.00 O ATOM 0 H TYR A 30 -0.881 5.243 1.305 1.00 0.00 H new ATOM 0 HA TYR A 30 1.261 5.046 3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.561 2.851 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.815 2.592 3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.769 3.621 5.670 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.681 3.483 3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.664 3.979 7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.116 3.845 5.131 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.765 4.582 8.302 1.00 0.00 H new ATOM 469 N LEU A 31 2.898 4.562 1.565 1.00 0.00 N ATOM 470 CA LEU A 31 3.901 4.297 0.539 1.00 0.00 C ATOM 471 C LEU A 31 4.041 2.799 0.289 1.00 0.00 C ATOM 472 O LEU A 31 4.869 2.131 0.909 1.00 0.00 O ATOM 473 CB LEU A 31 5.251 4.885 0.953 1.00 0.00 C ATOM 474 CG LEU A 31 6.427 4.588 0.022 1.00 0.00 C ATOM 475 CD1 LEU A 31 6.040 4.847 -1.426 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.639 5.423 0.410 1.00 0.00 C ATOM 0 H LEU A 31 3.266 4.997 2.411 1.00 0.00 H new ATOM 0 HA LEU A 31 3.573 4.772 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.143 5.967 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.498 4.512 1.947 1.00 0.00 H new ATOM 0 HG LEU A 31 6.689 3.535 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.889 4.630 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.202 4.205 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.751 5.891 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.466 5.198 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.390 6.482 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.930 5.188 1.434 1.00 0.00 H new ATOM 488 N ILE A 32 3.229 2.279 -0.624 1.00 0.00 N ATOM 489 CA ILE A 32 3.265 0.860 -0.958 1.00 0.00 C ATOM 490 C ILE A 32 4.449 0.539 -1.864 1.00 0.00 C ATOM 491 O ILE A 32 4.669 1.204 -2.876 1.00 0.00 O ATOM 492 CB ILE A 32 1.965 0.412 -1.653 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.762 0.659 -0.741 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.050 -1.057 -2.040 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.560 0.272 -1.365 1.00 0.00 C ATOM 0 H ILE A 32 2.538 2.818 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 32 3.371 0.317 -0.019 1.00 0.00 H new ATOM 0 HB ILE A 32 1.835 1.000 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.896 0.097 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.732 1.715 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.124 -1.358 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.887 -1.206 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.200 -1.661 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.368 0.475 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.717 0.852 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.550 -0.790 -1.609 1.00 0.00 H new ATOM 507 N LYS A 33 5.208 -0.487 -1.494 1.00 0.00 N ATOM 508 CA LYS A 33 6.369 -0.900 -2.273 1.00 0.00 C ATOM 509 C LYS A 33 6.097 -2.214 -2.999 1.00 0.00 C ATOM 510 O LYS A 33 6.182 -3.290 -2.406 1.00 0.00 O ATOM 511 CB LYS A 33 7.592 -1.050 -1.365 1.00 0.00 C ATOM 512 CG LYS A 33 8.845 -1.491 -2.101 1.00 0.00 C ATOM 513 CD LYS A 33 9.761 -2.306 -1.203 1.00 0.00 C ATOM 514 CE LYS A 33 11.070 -2.644 -1.902 1.00 0.00 C ATOM 515 NZ LYS A 33 12.189 -2.808 -0.934 1.00 0.00 N ATOM 0 H LYS A 33 5.040 -1.048 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 33 6.569 -0.129 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.787 -0.098 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.366 -1.774 -0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.567 -2.084 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.379 -0.615 -2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.968 -1.748 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.257 -3.226 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.949 -3.563 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.317 -1.855 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.083 -2.920 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.246 -1.968 -0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.021 -3.651 -0.349 1.00 0.00 H new ATOM 529 N TRP A 34 5.772 -2.120 -4.283 1.00 0.00 N ATOM 530 CA TRP A 34 5.490 -3.302 -5.089 1.00 0.00 C ATOM 531 C TRP A 34 6.651 -4.288 -5.035 1.00 0.00 C ATOM 532 O TRP A 34 7.704 -4.054 -5.630 1.00 0.00 O ATOM 533 CB TRP A 34 5.211 -2.901 -6.539 1.00 0.00 C ATOM 534 CG TRP A 34 4.158 -1.843 -6.671 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.332 -0.565 -7.120 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.769 -1.972 -6.348 1.00 0.00 C ATOM 537 NE1 TRP A 34 3.135 0.109 -7.096 1.00 0.00 N ATOM 538 CE2 TRP A 34 2.160 -0.732 -6.628 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.980 -3.013 -5.853 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.801 -0.509 -6.427 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.631 -2.790 -5.654 1.00 0.00 C ATOM 542 CH2 TRP A 34 0.052 -1.546 -5.941 1.00 0.00 C ATOM 0 H TRP A 34 5.697 -1.237 -4.789 1.00 0.00 H new ATOM 0 HA TRP A 34 4.606 -3.789 -4.678 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.135 -2.543 -6.993 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.902 -3.783 -7.099 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.272 -0.146 -7.446 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.995 1.078 -7.381 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.417 -3.975 -5.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.353 0.449 -6.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.012 -3.588 -5.271 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.006 -1.403 -5.775 1.00 0.00 H new ATOM 553 N ARG A 35 6.454 -5.390 -4.320 1.00 0.00 N ATOM 554 CA ARG A 35 7.486 -6.411 -4.188 1.00 0.00 C ATOM 555 C ARG A 35 8.302 -6.528 -5.473 1.00 0.00 C ATOM 556 O ARG A 35 9.483 -6.181 -5.504 1.00 0.00 O ATOM 557 CB ARG A 35 6.857 -7.763 -3.846 1.00 0.00 C ATOM 558 CG ARG A 35 6.468 -7.901 -2.383 1.00 0.00 C ATOM 559 CD ARG A 35 6.029 -9.319 -2.055 1.00 0.00 C ATOM 560 NE ARG A 35 7.167 -10.206 -1.830 1.00 0.00 N ATOM 561 CZ ARG A 35 7.050 -11.511 -1.612 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.851 -12.078 -1.589 1.00 0.00 N ATOM 563 NH2 ARG A 35 8.133 -12.252 -1.417 1.00 0.00 N ATOM 0 H ARG A 35 5.588 -5.599 -3.823 1.00 0.00 H new ATOM 0 HA ARG A 35 8.153 -6.114 -3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.971 -7.909 -4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.559 -8.556 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.314 -7.626 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.660 -7.206 -2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.398 -9.307 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.422 -9.709 -2.872 1.00 0.00 H new ATOM 0 HE ARG A 35 8.103 -9.801 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.016 -11.512 -1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.764 -13.080 -1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.057 -11.820 -1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.042 -13.254 -1.250 1.00 0.00 H new ATOM 577 N ASP A 36 7.664 -7.019 -6.529 1.00 0.00 N ATOM 578 CA ASP A 36 8.329 -7.182 -7.817 1.00 0.00 C ATOM 579 C ASP A 36 9.290 -6.027 -8.082 1.00 0.00 C ATOM 580 O ASP A 36 10.435 -6.238 -8.483 1.00 0.00 O ATOM 581 CB ASP A 36 7.296 -7.271 -8.941 1.00 0.00 C ATOM 582 CG ASP A 36 7.917 -7.659 -10.269 1.00 0.00 C ATOM 583 OD1 ASP A 36 8.363 -6.752 -11.002 1.00 0.00 O ATOM 584 OD2 ASP A 36 7.957 -8.869 -10.574 1.00 0.00 O ATOM 0 H ASP A 36 6.687 -7.311 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 36 8.902 -8.109 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.533 -8.002 -8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.793 -6.310 -9.045 1.00 0.00 H new ATOM 589 N LEU A 37 8.817 -4.807 -7.855 1.00 0.00 N ATOM 590 CA LEU A 37 9.633 -3.617 -8.070 1.00 0.00 C ATOM 591 C LEU A 37 10.500 -3.323 -6.849 1.00 0.00 C ATOM 592 O LEU A 37 10.162 -3.676 -5.719 1.00 0.00 O ATOM 593 CB LEU A 37 8.743 -2.412 -8.380 1.00 0.00 C ATOM 594 CG LEU A 37 7.895 -2.513 -9.648 1.00 0.00 C ATOM 595 CD1 LEU A 37 7.050 -1.261 -9.826 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.781 -2.738 -10.865 1.00 0.00 C ATOM 0 H LEU A 37 7.872 -4.615 -7.522 1.00 0.00 H new ATOM 0 HA LEU A 37 10.288 -3.805 -8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.076 -2.251 -7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.377 -1.529 -8.460 1.00 0.00 H new ATOM 0 HG LEU A 37 7.225 -3.367 -9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.453 -1.351 -10.734 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.389 -1.143 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.701 -0.391 -9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.161 -2.808 -11.759 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.475 -1.904 -10.969 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.342 -3.664 -10.740 1.00 0.00 H new ATOM 608 N PRO A 38 11.642 -2.660 -7.080 1.00 0.00 N ATOM 609 CA PRO A 38 12.579 -2.301 -6.011 1.00 0.00 C ATOM 610 C PRO A 38 12.023 -1.220 -5.091 1.00 0.00 C ATOM 611 O PRO A 38 10.844 -0.871 -5.169 1.00 0.00 O ATOM 612 CB PRO A 38 13.801 -1.780 -6.771 1.00 0.00 C ATOM 613 CG PRO A 38 13.262 -1.302 -8.074 1.00 0.00 C ATOM 614 CD PRO A 38 12.108 -2.209 -8.402 1.00 0.00 C ATOM 0 HA PRO A 38 12.795 -3.146 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.292 -0.974 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.543 -2.566 -6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.935 -0.264 -8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.025 -1.344 -8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.324 -1.682 -8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.420 -3.047 -9.025 1.00 0.00 H new ATOM 622 N TYR A 39 12.877 -0.693 -4.221 1.00 0.00 N ATOM 623 CA TYR A 39 12.470 0.348 -3.285 1.00 0.00 C ATOM 624 C TYR A 39 12.479 1.718 -3.956 1.00 0.00 C ATOM 625 O TYR A 39 11.732 2.617 -3.567 1.00 0.00 O ATOM 626 CB TYR A 39 13.395 0.358 -2.067 1.00 0.00 C ATOM 627 CG TYR A 39 13.040 1.415 -1.046 1.00 0.00 C ATOM 628 CD1 TYR A 39 11.937 1.264 -0.215 1.00 0.00 C ATOM 629 CD2 TYR A 39 13.808 2.566 -0.913 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.609 2.228 0.719 1.00 0.00 C ATOM 631 CE2 TYR A 39 13.488 3.534 0.019 1.00 0.00 C ATOM 632 CZ TYR A 39 12.388 3.361 0.832 1.00 0.00 C ATOM 633 OH TYR A 39 12.065 4.324 1.761 1.00 0.00 O ATOM 0 H TYR A 39 13.856 -0.970 -4.144 1.00 0.00 H new ATOM 0 HA TYR A 39 11.453 0.130 -2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.364 -0.621 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.420 0.517 -2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.325 0.378 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.669 2.706 -1.549 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.748 2.095 1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.096 4.422 0.110 1.00 0.00 H new ATOM 0 HH TYR A 39 12.714 5.056 1.712 1.00 0.00 H new ATOM 643 N ASP A 40 13.328 1.869 -4.966 1.00 0.00 N ATOM 644 CA ASP A 40 13.435 3.129 -5.693 1.00 0.00 C ATOM 645 C ASP A 40 12.330 3.248 -6.738 1.00 0.00 C ATOM 646 O ASP A 40 12.222 4.261 -7.427 1.00 0.00 O ATOM 647 CB ASP A 40 14.804 3.239 -6.366 1.00 0.00 C ATOM 648 CG ASP A 40 15.934 2.808 -5.453 1.00 0.00 C ATOM 649 OD1 ASP A 40 16.307 3.594 -4.557 1.00 0.00 O ATOM 650 OD2 ASP A 40 16.448 1.683 -5.634 1.00 0.00 O ATOM 0 H ASP A 40 13.952 1.135 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 40 13.324 3.944 -4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.814 2.624 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.969 4.269 -6.682 1.00 0.00 H new ATOM 655 N GLN A 41 11.513 2.205 -6.849 1.00 0.00 N ATOM 656 CA GLN A 41 10.417 2.193 -7.811 1.00 0.00 C ATOM 657 C GLN A 41 9.069 2.144 -7.101 1.00 0.00 C ATOM 658 O GLN A 41 8.033 1.928 -7.728 1.00 0.00 O ATOM 659 CB GLN A 41 10.553 0.998 -8.756 1.00 0.00 C ATOM 660 CG GLN A 41 11.606 1.192 -9.835 1.00 0.00 C ATOM 661 CD GLN A 41 11.582 0.092 -10.879 1.00 0.00 C ATOM 662 OE1 GLN A 41 12.393 -0.834 -10.840 1.00 0.00 O ATOM 663 NE2 GLN A 41 10.649 0.189 -11.818 1.00 0.00 N ATOM 0 H GLN A 41 11.589 1.358 -6.285 1.00 0.00 H new ATOM 0 HA GLN A 41 10.467 3.114 -8.392 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.801 0.111 -8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.590 0.809 -9.230 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.448 2.154 -10.323 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.592 1.227 -9.373 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.998 0.974 -11.811 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.583 -0.522 -12.547 1.00 0.00 H new ATOM 672 N ALA A 42 9.090 2.345 -5.787 1.00 0.00 N ATOM 673 CA ALA A 42 7.869 2.325 -4.991 1.00 0.00 C ATOM 674 C ALA A 42 6.925 3.448 -5.406 1.00 0.00 C ATOM 675 O ALA A 42 7.353 4.455 -5.970 1.00 0.00 O ATOM 676 CB ALA A 42 8.203 2.433 -3.510 1.00 0.00 C ATOM 0 H ALA A 42 9.940 2.524 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 42 7.363 1.376 -5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.282 2.417 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.833 1.593 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.734 3.367 -3.324 1.00 0.00 H new ATOM 682 N SER A 43 5.639 3.268 -5.123 1.00 0.00 N ATOM 683 CA SER A 43 4.633 4.265 -5.472 1.00 0.00 C ATOM 684 C SER A 43 3.663 4.485 -4.315 1.00 0.00 C ATOM 685 O SER A 43 3.298 3.544 -3.610 1.00 0.00 O ATOM 686 CB SER A 43 3.865 3.830 -6.721 1.00 0.00 C ATOM 687 OG SER A 43 4.663 3.966 -7.884 1.00 0.00 O ATOM 0 H SER A 43 5.269 2.442 -4.653 1.00 0.00 H new ATOM 0 HA SER A 43 5.145 5.205 -5.678 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.547 2.793 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.962 4.431 -6.824 1.00 0.00 H new ATOM 0 HG SER A 43 4.150 3.680 -8.668 1.00 0.00 H new ATOM 693 N TRP A 44 3.249 5.732 -4.128 1.00 0.00 N ATOM 694 CA TRP A 44 2.321 6.077 -3.057 1.00 0.00 C ATOM 695 C TRP A 44 0.896 5.675 -3.421 1.00 0.00 C ATOM 696 O TRP A 44 0.449 5.893 -4.547 1.00 0.00 O ATOM 697 CB TRP A 44 2.382 7.577 -2.764 1.00 0.00 C ATOM 698 CG TRP A 44 3.498 7.957 -1.839 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.697 8.510 -2.185 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.519 7.809 -0.415 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.462 8.715 -1.062 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.762 8.294 0.037 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.608 7.315 0.523 1.00 0.00 C ATOM 704 CZ2 TRP A 44 5.114 8.298 1.383 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.959 7.319 1.859 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.203 7.809 2.280 1.00 0.00 C ATOM 0 H TRP A 44 3.541 6.522 -4.704 1.00 0.00 H new ATOM 0 HA TRP A 44 2.617 5.528 -2.163 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.497 8.119 -3.703 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.435 7.893 -2.328 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.000 8.751 -3.193 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.400 9.116 -1.049 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.646 6.937 0.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.073 8.674 1.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.263 6.938 2.592 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.447 7.801 3.332 1.00 0.00 H new ATOM 717 N GLU A 45 0.187 5.088 -2.462 1.00 0.00 N ATOM 718 CA GLU A 45 -1.188 4.656 -2.684 1.00 0.00 C ATOM 719 C GLU A 45 -2.069 5.008 -1.489 1.00 0.00 C ATOM 720 O GLU A 45 -1.894 4.471 -0.396 1.00 0.00 O ATOM 721 CB GLU A 45 -1.237 3.148 -2.941 1.00 0.00 C ATOM 722 CG GLU A 45 -0.435 2.711 -4.155 1.00 0.00 C ATOM 723 CD GLU A 45 -0.940 3.334 -5.442 1.00 0.00 C ATOM 724 OE1 GLU A 45 -2.089 3.040 -5.833 1.00 0.00 O ATOM 725 OE2 GLU A 45 -0.186 4.116 -6.058 1.00 0.00 O ATOM 0 H GLU A 45 0.542 4.901 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.569 5.180 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.862 2.626 -2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.275 2.844 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.611 2.981 -4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.475 1.625 -4.241 1.00 0.00 H new ATOM 732 N SER A 46 -3.016 5.915 -1.707 1.00 0.00 N ATOM 733 CA SER A 46 -3.922 6.343 -0.648 1.00 0.00 C ATOM 734 C SER A 46 -4.451 5.144 0.133 1.00 0.00 C ATOM 735 O SER A 46 -4.257 3.996 -0.266 1.00 0.00 O ATOM 736 CB SER A 46 -5.090 7.137 -1.237 1.00 0.00 C ATOM 737 OG SER A 46 -6.026 7.489 -0.233 1.00 0.00 O ATOM 0 H SER A 46 -3.176 6.367 -2.607 1.00 0.00 H new ATOM 0 HA SER A 46 -3.364 6.983 0.036 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.714 8.039 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.584 6.545 -2.008 1.00 0.00 H new ATOM 0 HG SER A 46 -6.761 7.997 -0.635 1.00 0.00 H new ATOM 743 N GLU A 47 -5.119 5.420 1.248 1.00 0.00 N ATOM 744 CA GLU A 47 -5.675 4.364 2.086 1.00 0.00 C ATOM 745 C GLU A 47 -7.039 3.918 1.567 1.00 0.00 C ATOM 746 O GLU A 47 -7.729 3.125 2.207 1.00 0.00 O ATOM 747 CB GLU A 47 -5.800 4.843 3.534 1.00 0.00 C ATOM 748 CG GLU A 47 -6.822 5.952 3.722 1.00 0.00 C ATOM 749 CD GLU A 47 -7.209 6.148 5.175 1.00 0.00 C ATOM 750 OE1 GLU A 47 -7.242 5.146 5.920 1.00 0.00 O ATOM 751 OE2 GLU A 47 -7.480 7.302 5.567 1.00 0.00 O ATOM 0 H GLU A 47 -5.288 6.365 1.592 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.996 3.512 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.073 3.998 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.827 5.195 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.417 6.885 3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.714 5.721 3.140 1.00 0.00 H new ATOM 758 N ASP A 48 -7.420 4.436 0.405 1.00 0.00 N ATOM 759 CA ASP A 48 -8.701 4.092 -0.202 1.00 0.00 C ATOM 760 C ASP A 48 -8.532 2.985 -1.239 1.00 0.00 C ATOM 761 O ASP A 48 -9.479 2.264 -1.552 1.00 0.00 O ATOM 762 CB ASP A 48 -9.330 5.325 -0.852 1.00 0.00 C ATOM 763 CG ASP A 48 -10.428 4.966 -1.833 1.00 0.00 C ATOM 764 OD1 ASP A 48 -11.308 4.157 -1.469 1.00 0.00 O ATOM 765 OD2 ASP A 48 -10.410 5.495 -2.964 1.00 0.00 O ATOM 0 H ASP A 48 -6.861 5.096 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.362 3.730 0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.738 5.973 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.557 5.894 -1.369 1.00 0.00 H new ATOM 770 N VAL A 49 -7.320 2.858 -1.769 1.00 0.00 N ATOM 771 CA VAL A 49 -7.026 1.840 -2.770 1.00 0.00 C ATOM 772 C VAL A 49 -7.264 0.440 -2.217 1.00 0.00 C ATOM 773 O VAL A 49 -6.944 0.156 -1.063 1.00 0.00 O ATOM 774 CB VAL A 49 -5.571 1.944 -3.266 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.371 3.218 -4.073 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.604 1.889 -2.093 1.00 0.00 C ATOM 0 H VAL A 49 -6.525 3.448 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.701 2.016 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.366 1.094 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.337 3.274 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.038 3.211 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.594 4.083 -3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.581 1.964 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.807 2.718 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.730 0.946 -1.561 1.00 0.00 H new ATOM 786 N GLU A 50 -7.828 -0.431 -3.048 1.00 0.00 N ATOM 787 CA GLU A 50 -8.110 -1.802 -2.641 1.00 0.00 C ATOM 788 C GLU A 50 -7.045 -2.757 -3.173 1.00 0.00 C ATOM 789 O GLU A 50 -7.064 -3.133 -4.346 1.00 0.00 O ATOM 790 CB GLU A 50 -9.491 -2.233 -3.139 1.00 0.00 C ATOM 791 CG GLU A 50 -9.566 -2.411 -4.646 1.00 0.00 C ATOM 792 CD GLU A 50 -10.983 -2.305 -5.176 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.870 -3.007 -4.645 1.00 0.00 O ATOM 794 OE2 GLU A 50 -11.205 -1.521 -6.121 1.00 0.00 O ATOM 0 H GLU A 50 -8.098 -0.211 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.097 -1.840 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.765 -3.171 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.227 -1.490 -2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.944 -1.657 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.153 -3.384 -4.914 1.00 0.00 H new ATOM 801 N ILE A 51 -6.119 -3.145 -2.303 1.00 0.00 N ATOM 802 CA ILE A 51 -5.047 -4.056 -2.685 1.00 0.00 C ATOM 803 C ILE A 51 -5.083 -5.329 -1.847 1.00 0.00 C ATOM 804 O ILE A 51 -5.624 -5.341 -0.741 1.00 0.00 O ATOM 805 CB ILE A 51 -3.664 -3.394 -2.534 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.642 -2.041 -3.249 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.577 -4.307 -3.081 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.608 -1.084 -2.698 1.00 0.00 C ATOM 0 H ILE A 51 -6.089 -2.843 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.207 -4.309 -3.733 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.471 -3.227 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.448 -2.202 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.628 -1.582 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.606 -3.825 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.582 -5.248 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.763 -4.503 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.649 -0.146 -3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.814 -0.893 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.615 -1.523 -2.800 1.00 0.00 H new ATOM 820 N GLN A 52 -4.501 -6.399 -2.380 1.00 0.00 N ATOM 821 CA GLN A 52 -4.466 -7.678 -1.679 1.00 0.00 C ATOM 822 C GLN A 52 -3.916 -7.509 -0.267 1.00 0.00 C ATOM 823 O GLN A 52 -2.838 -6.947 -0.073 1.00 0.00 O ATOM 824 CB GLN A 52 -3.614 -8.684 -2.454 1.00 0.00 C ATOM 825 CG GLN A 52 -4.042 -10.128 -2.250 1.00 0.00 C ATOM 826 CD GLN A 52 -3.066 -11.118 -2.855 1.00 0.00 C ATOM 827 OE1 GLN A 52 -2.813 -11.101 -4.060 1.00 0.00 O ATOM 828 NE2 GLN A 52 -2.510 -11.988 -2.019 1.00 0.00 N ATOM 0 H GLN A 52 -4.048 -6.406 -3.294 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.487 -8.054 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.662 -8.446 -3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.573 -8.576 -2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.140 -10.326 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.026 -10.277 -2.694 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.748 -11.966 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.845 -12.678 -2.369 1.00 0.00 H new ATOM 837 N ASP A 53 -4.663 -8.000 0.716 1.00 0.00 N ATOM 838 CA ASP A 53 -4.251 -7.904 2.111 1.00 0.00 C ATOM 839 C ASP A 53 -3.773 -6.494 2.441 1.00 0.00 C ATOM 840 O ASP A 53 -2.840 -6.310 3.224 1.00 0.00 O ATOM 841 CB ASP A 53 -3.141 -8.914 2.407 1.00 0.00 C ATOM 842 CG ASP A 53 -2.073 -8.933 1.330 1.00 0.00 C ATOM 843 OD1 ASP A 53 -2.234 -9.688 0.348 1.00 0.00 O ATOM 844 OD2 ASP A 53 -1.078 -8.193 1.469 1.00 0.00 O ATOM 0 H ASP A 53 -5.557 -8.469 0.572 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.115 -8.131 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.682 -8.674 3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.575 -9.909 2.502 1.00 0.00 H new ATOM 849 N TYR A 54 -4.418 -5.501 1.839 1.00 0.00 N ATOM 850 CA TYR A 54 -4.057 -4.106 2.067 1.00 0.00 C ATOM 851 C TYR A 54 -4.365 -3.691 3.502 1.00 0.00 C ATOM 852 O TYR A 54 -3.573 -3.000 4.144 1.00 0.00 O ATOM 853 CB TYR A 54 -4.805 -3.198 1.090 1.00 0.00 C ATOM 854 CG TYR A 54 -4.362 -1.754 1.144 1.00 0.00 C ATOM 855 CD1 TYR A 54 -3.039 -1.422 1.413 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.265 -0.720 0.926 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.630 -0.104 1.464 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.864 0.601 0.974 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.545 0.904 1.244 1.00 0.00 C ATOM 860 OH TYR A 54 -3.141 2.218 1.293 1.00 0.00 O ATOM 0 H TYR A 54 -5.193 -5.636 1.190 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.985 -4.003 1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.664 -3.575 0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.873 -3.250 1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.319 -2.208 1.585 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.298 -0.953 0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.598 0.136 1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.579 1.392 0.801 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.642 2.739 0.631 1.00 0.00 H new ATOM 870 N ASP A 55 -5.520 -4.117 3.999 1.00 0.00 N ATOM 871 CA ASP A 55 -5.934 -3.792 5.360 1.00 0.00 C ATOM 872 C ASP A 55 -5.051 -4.504 6.381 1.00 0.00 C ATOM 873 O ASP A 55 -4.736 -3.953 7.436 1.00 0.00 O ATOM 874 CB ASP A 55 -7.398 -4.177 5.576 1.00 0.00 C ATOM 875 CG ASP A 55 -8.288 -3.735 4.431 1.00 0.00 C ATOM 876 OD1 ASP A 55 -8.426 -4.503 3.456 1.00 0.00 O ATOM 877 OD2 ASP A 55 -8.847 -2.622 4.511 1.00 0.00 O ATOM 0 H ASP A 55 -6.187 -4.688 3.481 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.825 -2.716 5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.473 -5.258 5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.755 -3.730 6.504 1.00 0.00 H new ATOM 882 N LEU A 56 -4.657 -5.732 6.061 1.00 0.00 N ATOM 883 CA LEU A 56 -3.812 -6.520 6.950 1.00 0.00 C ATOM 884 C LEU A 56 -2.508 -5.789 7.252 1.00 0.00 C ATOM 885 O LEU A 56 -2.150 -5.591 8.413 1.00 0.00 O ATOM 886 CB LEU A 56 -3.512 -7.884 6.325 1.00 0.00 C ATOM 887 CG LEU A 56 -4.673 -8.879 6.296 1.00 0.00 C ATOM 888 CD1 LEU A 56 -4.678 -9.730 7.557 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.998 -8.147 6.139 1.00 0.00 C ATOM 0 H LEU A 56 -4.910 -6.203 5.192 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.350 -6.667 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.170 -7.725 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.685 -8.337 6.871 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.541 -9.538 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.511 -10.432 7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.741 -10.282 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.786 -9.086 8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.813 -8.870 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.138 -7.464 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.993 -7.582 5.207 1.00 0.00 H new ATOM 901 N PHE A 57 -1.803 -5.387 6.200 1.00 0.00 N ATOM 902 CA PHE A 57 -0.539 -4.676 6.352 1.00 0.00 C ATOM 903 C PHE A 57 -0.728 -3.399 7.166 1.00 0.00 C ATOM 904 O PHE A 57 -0.064 -3.192 8.182 1.00 0.00 O ATOM 905 CB PHE A 57 0.049 -4.338 4.980 1.00 0.00 C ATOM 906 CG PHE A 57 0.734 -5.500 4.319 1.00 0.00 C ATOM 907 CD1 PHE A 57 0.043 -6.672 4.059 1.00 0.00 C ATOM 908 CD2 PHE A 57 2.069 -5.419 3.958 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.670 -7.743 3.450 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.702 -6.486 3.349 1.00 0.00 C ATOM 911 CZ PHE A 57 2.002 -7.650 3.096 1.00 0.00 C ATOM 0 H PHE A 57 -2.086 -5.542 5.232 1.00 0.00 H new ATOM 0 HA PHE A 57 0.154 -5.327 6.886 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.749 -3.979 4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.762 -3.521 5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.998 -6.750 4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.621 -4.512 4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.119 -8.651 3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.743 -6.410 3.071 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.495 -8.486 2.622 1.00 0.00 H new ATOM 921 N LYS A 58 -1.639 -2.545 6.711 1.00 0.00 N ATOM 922 CA LYS A 58 -1.917 -1.288 7.395 1.00 0.00 C ATOM 923 C LYS A 58 -2.223 -1.527 8.870 1.00 0.00 C ATOM 924 O LYS A 58 -1.825 -0.742 9.730 1.00 0.00 O ATOM 925 CB LYS A 58 -3.094 -0.571 6.729 1.00 0.00 C ATOM 926 CG LYS A 58 -2.931 -0.398 5.229 1.00 0.00 C ATOM 927 CD LYS A 58 -4.273 -0.417 4.516 1.00 0.00 C ATOM 928 CE LYS A 58 -4.843 0.984 4.362 1.00 0.00 C ATOM 929 NZ LYS A 58 -6.331 0.985 4.398 1.00 0.00 N ATOM 0 H LYS A 58 -2.197 -2.701 5.872 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.029 -0.660 7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.008 -1.132 6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.218 0.410 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.422 0.544 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.298 -1.194 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.157 -0.874 3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.974 -1.037 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.460 1.621 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.502 1.413 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.695 1.656 3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.684 0.031 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.655 1.269 5.344 1.00 0.00 H new ATOM 943 N GLN A 59 -2.929 -2.616 9.154 1.00 0.00 N ATOM 944 CA GLN A 59 -3.286 -2.958 10.526 1.00 0.00 C ATOM 945 C GLN A 59 -2.047 -3.320 11.337 1.00 0.00 C ATOM 946 O GLN A 59 -1.993 -3.086 12.545 1.00 0.00 O ATOM 947 CB GLN A 59 -4.279 -4.122 10.542 1.00 0.00 C ATOM 948 CG GLN A 59 -4.419 -4.783 11.904 1.00 0.00 C ATOM 949 CD GLN A 59 -5.775 -5.431 12.101 1.00 0.00 C ATOM 950 OE1 GLN A 59 -6.032 -6.526 11.598 1.00 0.00 O ATOM 951 NE2 GLN A 59 -6.653 -4.758 12.836 1.00 0.00 N ATOM 0 H GLN A 59 -3.265 -3.277 8.453 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.753 -2.085 10.981 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.256 -3.760 10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.961 -4.870 9.815 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.640 -5.537 12.020 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.260 -4.038 12.683 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.398 -3.854 13.234 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.582 -5.145 13.003 1.00 0.00 H new ATOM 960 N SER A 60 -1.053 -3.893 10.666 1.00 0.00 N ATOM 961 CA SER A 60 0.185 -4.291 11.326 1.00 0.00 C ATOM 962 C SER A 60 1.110 -3.093 11.515 1.00 0.00 C ATOM 963 O SER A 60 1.356 -2.655 12.639 1.00 0.00 O ATOM 964 CB SER A 60 0.896 -5.375 10.512 1.00 0.00 C ATOM 965 OG SER A 60 2.233 -5.545 10.948 1.00 0.00 O ATOM 0 H SER A 60 -1.081 -4.092 9.666 1.00 0.00 H new ATOM 0 HA SER A 60 -0.068 -4.691 12.308 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.357 -6.318 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.886 -5.106 9.456 1.00 0.00 H new ATOM 0 HG SER A 60 2.665 -6.244 10.414 1.00 0.00 H new ATOM 971 N TYR A 61 1.620 -2.566 10.407 1.00 0.00 N ATOM 972 CA TYR A 61 2.520 -1.420 10.449 1.00 0.00 C ATOM 973 C TYR A 61 2.142 -0.472 11.583 1.00 0.00 C ATOM 974 O TYR A 61 2.998 -0.034 12.352 1.00 0.00 O ATOM 975 CB TYR A 61 2.491 -0.673 9.115 1.00 0.00 C ATOM 976 CG TYR A 61 3.175 0.675 9.160 1.00 0.00 C ATOM 977 CD1 TYR A 61 2.471 1.821 9.508 1.00 0.00 C ATOM 978 CD2 TYR A 61 4.525 0.802 8.855 1.00 0.00 C ATOM 979 CE1 TYR A 61 3.092 3.055 9.550 1.00 0.00 C ATOM 980 CE2 TYR A 61 5.153 2.031 8.896 1.00 0.00 C ATOM 981 CZ TYR A 61 4.433 3.154 9.244 1.00 0.00 C ATOM 982 OH TYR A 61 5.056 4.381 9.284 1.00 0.00 O ATOM 0 H TYR A 61 1.425 -2.915 9.468 1.00 0.00 H new ATOM 0 HA TYR A 61 3.529 -1.790 10.629 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.970 -1.288 8.353 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.454 -0.535 8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.421 1.746 9.750 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.092 -0.075 8.581 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.530 3.937 9.821 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.203 2.112 8.657 1.00 0.00 H new ATOM 0 HH TYR A 61 4.389 5.090 9.173 1.00 0.00 H new ATOM 992 N TRP A 62 0.855 -0.161 11.681 1.00 0.00 N ATOM 993 CA TRP A 62 0.362 0.734 12.722 1.00 0.00 C ATOM 994 C TRP A 62 0.788 0.250 14.103 1.00 0.00 C ATOM 995 O TRP A 62 1.484 0.956 14.831 1.00 0.00 O ATOM 996 CB TRP A 62 -1.163 0.839 12.652 1.00 0.00 C ATOM 997 CG TRP A 62 -1.642 1.946 11.763 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.565 1.851 10.761 1.00 0.00 C ATOM 999 CD2 TRP A 62 -1.221 3.314 11.795 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.743 3.078 10.168 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -1.931 3.992 10.785 1.00 0.00 C ATOM 1002 CE3 TRP A 62 -0.316 4.033 12.580 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.760 5.352 10.540 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 -0.147 5.383 12.336 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -0.867 6.031 11.324 1.00 0.00 C ATOM 0 H TRP A 62 0.134 -0.515 11.053 1.00 0.00 H new ATOM 0 HA TRP A 62 0.795 1.720 12.554 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.569 -0.107 12.293 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.556 0.994 13.657 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -3.079 0.945 10.476 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -3.377 3.276 9.394 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.242 3.542 13.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -2.312 5.853 9.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.552 5.948 12.936 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.714 7.087 11.159 1.00 0.00 H new ATOM 1016 N ASN A 63 0.365 -0.959 14.459 1.00 0.00 N ATOM 1017 CA ASN A 63 0.704 -1.537 15.754 1.00 0.00 C ATOM 1018 C ASN A 63 2.216 -1.649 15.921 1.00 0.00 C ATOM 1019 O ASN A 63 2.793 -1.077 16.846 1.00 0.00 O ATOM 1020 CB ASN A 63 0.059 -2.916 15.905 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.418 -2.831 16.239 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -1.841 -3.203 17.333 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.211 -2.339 15.294 1.00 0.00 N ATOM 0 H ASN A 63 -0.213 -1.557 13.869 1.00 0.00 H new ATOM 0 HA ASN A 63 0.319 -0.876 16.531 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.188 -3.477 14.980 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.574 -3.471 16.689 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.214 -2.258 15.461 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.817 -2.043 14.401 1.00 0.00 H new ATOM 1030 N HIS A 64 2.852 -2.390 15.019 1.00 0.00 N ATOM 1031 CA HIS A 64 4.298 -2.576 15.066 1.00 0.00 C ATOM 1032 C HIS A 64 5.000 -1.622 14.105 1.00 0.00 C ATOM 1033 O HIS A 64 6.042 -1.052 14.432 1.00 0.00 O ATOM 1034 CB HIS A 64 4.658 -4.022 14.721 1.00 0.00 C ATOM 1035 CG HIS A 64 3.943 -5.034 15.562 1.00 0.00 C ATOM 1036 ND1 HIS A 64 4.589 -5.861 16.457 1.00 0.00 N ATOM 1037 CD2 HIS A 64 2.629 -5.350 15.641 1.00 0.00 C ATOM 1038 CE1 HIS A 64 3.703 -6.642 17.049 1.00 0.00 C ATOM 1039 NE2 HIS A 64 2.506 -6.352 16.572 1.00 0.00 N ATOM 0 H HIS A 64 2.389 -2.871 14.248 1.00 0.00 H new ATOM 0 HA HIS A 64 4.635 -2.356 16.079 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.427 -4.205 13.672 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.733 -4.158 14.839 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.827 -4.898 15.077 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.921 -7.391 17.796 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.632 -6.799 16.850 1.00 0.00 H new TER 1048 HIS A 64