USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 872 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 71 SER OG : rot -69:sc= 1.02 USER MOD Set 1.2: A 88 ASN : amide:sc= -2.74! K(o=-1.7!,f=0.76) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= -0.0847 USER MOD Set 2.2: A 82 GLN : amide:sc= -0.371 K(o=-0.46,f=-0.97) USER MOD Set 3.1: A 26 GLN : amide:sc= -6.14! C(o=-16!,f=-7.6!) USER MOD Set 3.2: A 63 GLN : amide:sc= -10.3! C(o=-16!,f=-7.6!) USER MOD Set 4.1: A 23 LYS NZ :NH3+ -109:sc= 0.392 (180deg=0) USER MOD Set 4.2: A 104 HIS : no HE2:sc= -1.84! C(o=-1.5!,f=-17!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00334 USER MOD Single : A 7 LYS NZ :NH3+ 152:sc= -0.0625 (180deg=-0.635) USER MOD Single : A 14 ASN : amide:sc= -5.71! C(o=-5.7!,f=-5.5!) USER MOD Single : A 16 GLN : amide:sc= -2.59 X(o=-2.6,f=-3!) USER MOD Single : A 19 ASN : amide:sc= -4.98! C(o=-5!,f=-5.7!) USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.449 (180deg=-2.08) USER MOD Single : A 30 ASN : amide:sc= -8.93! C(o=-8.9!,f=-5.9!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -5.26! C(o=-5.3!,f=-17!) USER MOD Single : A 45 THR OG1 : rot -27:sc= 0.695 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.42) USER MOD Single : A 66 SER OG : rot -119:sc= 1.05 USER MOD Single : A 67 TYR OH : rot -40:sc= -1.13! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.75) USER MOD Single : A 84 GLN : amide:sc= -1.36! K(o=-1.4!,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.0717 K(o=-0.072,f=-0.93) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -69:sc= -0.718 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -47:sc= 0.044 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0802 X(o=-0.08,f=-0.08) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.670 13.306 -15.953 1.00 0.00 N ATOM 2 CA MET A 1 -11.538 13.161 -16.908 1.00 0.00 C ATOM 3 C MET A 1 -10.284 12.738 -16.146 1.00 0.00 C ATOM 4 O MET A 1 -9.699 11.710 -16.419 1.00 0.00 O ATOM 5 CB MET A 1 -11.279 14.503 -17.601 1.00 0.00 C ATOM 6 CG MET A 1 -10.135 14.354 -18.609 1.00 0.00 C ATOM 7 SD MET A 1 -9.920 15.913 -19.509 1.00 0.00 S ATOM 8 CE MET A 1 -8.796 16.713 -18.337 1.00 0.00 C ATOM 0 H1 MET A 1 -13.525 13.594 -16.470 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.842 12.397 -15.478 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.435 14.028 -15.243 1.00 0.00 H new ATOM 0 HA MET A 1 -11.787 12.406 -17.654 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.182 14.841 -18.109 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.027 15.262 -16.861 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.212 14.089 -18.092 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.353 13.545 -19.307 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.532 17.705 -18.705 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.286 16.804 -17.367 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.892 16.113 -18.232 1.00 0.00 H new ATOM 20 N GLU A 2 -9.860 13.524 -15.193 1.00 0.00 N ATOM 21 CA GLU A 2 -8.635 13.165 -14.421 1.00 0.00 C ATOM 22 C GLU A 2 -9.013 12.238 -13.253 1.00 0.00 C ATOM 23 O GLU A 2 -10.119 12.289 -12.754 1.00 0.00 O ATOM 24 CB GLU A 2 -8.001 14.451 -13.875 1.00 0.00 C ATOM 25 CG GLU A 2 -7.159 15.113 -14.967 1.00 0.00 C ATOM 26 CD GLU A 2 -6.653 16.469 -14.474 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.707 16.482 -13.706 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.222 17.471 -14.875 1.00 0.00 O ATOM 0 H GLU A 2 -10.308 14.398 -14.916 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.927 12.649 -15.069 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.778 15.136 -13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.378 14.222 -13.010 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.317 14.473 -15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.754 15.242 -15.871 1.00 0.00 H new ATOM 35 N PRO A 3 -8.096 11.403 -12.816 1.00 0.00 N ATOM 36 CA PRO A 3 -8.338 10.459 -11.679 1.00 0.00 C ATOM 37 C PRO A 3 -8.491 11.192 -10.340 1.00 0.00 C ATOM 38 O PRO A 3 -8.043 12.310 -10.173 1.00 0.00 O ATOM 39 CB PRO A 3 -7.092 9.554 -11.684 1.00 0.00 C ATOM 40 CG PRO A 3 -6.021 10.378 -12.322 1.00 0.00 C ATOM 41 CD PRO A 3 -6.729 11.261 -13.352 1.00 0.00 C ATOM 0 HA PRO A 3 -9.268 9.903 -11.797 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.814 9.259 -10.672 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.272 8.637 -12.245 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.500 10.984 -11.580 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.273 9.745 -12.799 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.237 12.228 -13.454 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.733 10.799 -14.339 1.00 0.00 H new ATOM 49 N GLN A 4 -9.130 10.568 -9.388 1.00 0.00 N ATOM 50 CA GLN A 4 -9.325 11.219 -8.065 1.00 0.00 C ATOM 51 C GLN A 4 -8.038 11.102 -7.244 1.00 0.00 C ATOM 52 O GLN A 4 -7.599 10.017 -6.902 1.00 0.00 O ATOM 53 CB GLN A 4 -10.471 10.521 -7.333 1.00 0.00 C ATOM 54 CG GLN A 4 -11.787 10.829 -8.051 1.00 0.00 C ATOM 55 CD GLN A 4 -12.929 10.062 -7.385 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.813 8.881 -7.124 1.00 0.00 O ATOM 57 NE2 GLN A 4 -14.038 10.688 -7.099 1.00 0.00 N ATOM 0 H GLN A 4 -9.526 9.632 -9.472 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.566 12.273 -8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.300 9.445 -7.307 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.519 10.861 -6.299 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.988 11.900 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.713 10.550 -9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.135 11.679 -7.318 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.808 10.186 -6.656 1.00 0.00 H new ATOM 66 N LEU A 5 -7.425 12.213 -6.930 1.00 0.00 N ATOM 67 CA LEU A 5 -6.163 12.182 -6.139 1.00 0.00 C ATOM 68 C LEU A 5 -6.494 12.306 -4.653 1.00 0.00 C ATOM 69 O LEU A 5 -7.224 13.185 -4.239 1.00 0.00 O ATOM 70 CB LEU A 5 -5.284 13.364 -6.567 1.00 0.00 C ATOM 71 CG LEU A 5 -4.628 13.071 -7.930 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.265 14.389 -8.621 1.00 0.00 C ATOM 73 CD2 LEU A 5 -3.343 12.251 -7.735 1.00 0.00 C ATOM 0 H LEU A 5 -7.748 13.145 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.636 11.244 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.886 14.270 -6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.515 13.546 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.333 12.508 -8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.801 14.179 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.168 14.980 -8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.567 14.947 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.889 12.050 -8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.643 12.813 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.584 11.308 -7.245 1.00 0.00 H new ATOM 85 N THR A 6 -5.960 11.420 -3.854 1.00 0.00 N ATOM 86 CA THR A 6 -6.226 11.451 -2.384 1.00 0.00 C ATOM 87 C THR A 6 -4.895 11.480 -1.638 1.00 0.00 C ATOM 88 O THR A 6 -3.926 10.883 -2.057 1.00 0.00 O ATOM 89 CB THR A 6 -7.015 10.205 -1.987 1.00 0.00 C ATOM 90 OG1 THR A 6 -8.216 10.153 -2.744 1.00 0.00 O ATOM 91 CG2 THR A 6 -7.349 10.278 -0.500 1.00 0.00 C ATOM 0 H THR A 6 -5.344 10.667 -4.160 1.00 0.00 H new ATOM 0 HA THR A 6 -6.805 12.338 -2.129 1.00 0.00 H new ATOM 0 HB THR A 6 -6.423 9.311 -2.183 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.726 9.354 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.912 9.391 -0.210 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.426 10.327 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.947 11.168 -0.305 1.00 0.00 H new ATOM 99 N LYS A 7 -4.833 12.183 -0.541 1.00 0.00 N ATOM 100 CA LYS A 7 -3.559 12.273 0.226 1.00 0.00 C ATOM 101 C LYS A 7 -3.520 11.193 1.305 1.00 0.00 C ATOM 102 O LYS A 7 -4.528 10.822 1.870 1.00 0.00 O ATOM 103 CB LYS A 7 -3.497 13.643 0.900 1.00 0.00 C ATOM 104 CG LYS A 7 -3.648 14.753 -0.147 1.00 0.00 C ATOM 105 CD LYS A 7 -2.450 14.745 -1.106 1.00 0.00 C ATOM 106 CE LYS A 7 -2.358 16.093 -1.824 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.947 17.141 -0.850 1.00 0.00 N ATOM 0 H LYS A 7 -5.615 12.702 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.715 12.135 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.288 13.726 1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.549 13.755 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.572 14.611 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.721 15.722 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.530 14.552 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.559 13.941 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.637 16.035 -2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.321 16.349 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.437 17.898 -1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.791 17.537 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.325 16.721 -0.130 1.00 0.00 H new ATOM 121 N ILE A 8 -2.356 10.681 1.587 1.00 0.00 N ATOM 122 CA ILE A 8 -2.237 9.620 2.622 1.00 0.00 C ATOM 123 C ILE A 8 -2.736 10.166 3.961 1.00 0.00 C ATOM 124 O ILE A 8 -3.433 9.493 4.695 1.00 0.00 O ATOM 125 CB ILE A 8 -0.765 9.209 2.749 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.330 8.458 1.486 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.572 8.313 3.972 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.194 8.348 1.454 1.00 0.00 C ATOM 0 H ILE A 8 -1.479 10.953 1.143 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.835 8.754 2.339 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.156 10.105 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.777 7.464 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.686 8.982 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.477 8.027 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.870 8.854 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.185 7.418 3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.501 7.814 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.631 9.347 1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.538 7.805 2.334 1.00 0.00 H new ATOM 140 N VAL A 9 -2.381 11.374 4.283 1.00 0.00 N ATOM 141 CA VAL A 9 -2.828 11.965 5.574 1.00 0.00 C ATOM 142 C VAL A 9 -4.355 12.115 5.571 1.00 0.00 C ATOM 143 O VAL A 9 -4.958 12.435 6.576 1.00 0.00 O ATOM 144 CB VAL A 9 -2.169 13.337 5.742 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.729 14.307 4.696 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.453 13.876 7.147 1.00 0.00 C ATOM 0 H VAL A 9 -1.798 11.982 3.707 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.540 11.316 6.401 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.092 13.239 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.259 15.283 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.520 13.925 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.806 14.404 4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.983 14.852 7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.529 13.972 7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.049 13.188 7.889 1.00 0.00 H new ATOM 156 N ASP A 10 -4.979 11.887 4.441 1.00 0.00 N ATOM 157 CA ASP A 10 -6.469 12.009 4.348 1.00 0.00 C ATOM 158 C ASP A 10 -7.095 10.611 4.340 1.00 0.00 C ATOM 159 O ASP A 10 -8.277 10.451 4.108 1.00 0.00 O ATOM 160 CB ASP A 10 -6.836 12.745 3.055 1.00 0.00 C ATOM 161 CG ASP A 10 -6.382 14.202 3.161 1.00 0.00 C ATOM 162 OD1 ASP A 10 -6.073 14.625 4.261 1.00 0.00 O ATOM 163 OD2 ASP A 10 -6.350 14.870 2.139 1.00 0.00 O ATOM 0 H ASP A 10 -4.517 11.619 3.572 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.846 12.568 5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.360 12.264 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.912 12.698 2.888 1.00 0.00 H new ATOM 168 N ILE A 11 -6.311 9.594 4.597 1.00 0.00 N ATOM 169 CA ILE A 11 -6.861 8.204 4.612 1.00 0.00 C ATOM 170 C ILE A 11 -7.428 7.881 5.999 1.00 0.00 C ATOM 171 O ILE A 11 -6.742 7.972 6.998 1.00 0.00 O ATOM 172 CB ILE A 11 -5.744 7.206 4.266 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.355 7.369 2.790 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.221 5.771 4.530 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.124 6.516 2.485 1.00 0.00 C ATOM 0 H ILE A 11 -5.313 9.666 4.797 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.659 8.127 3.874 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.874 7.405 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.185 7.069 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.147 8.417 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.423 5.071 4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.485 5.663 5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.094 5.559 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.850 6.634 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.294 6.836 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.348 5.468 2.686 1.00 0.00 H new ATOM 187 N VAL A 12 -8.672 7.482 6.066 1.00 0.00 N ATOM 188 CA VAL A 12 -9.281 7.127 7.383 1.00 0.00 C ATOM 189 C VAL A 12 -10.246 5.954 7.194 1.00 0.00 C ATOM 190 O VAL A 12 -10.967 5.578 8.098 1.00 0.00 O ATOM 191 CB VAL A 12 -10.022 8.337 7.960 1.00 0.00 C ATOM 192 CG1 VAL A 12 -9.003 9.414 8.338 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.994 8.904 6.919 1.00 0.00 C ATOM 0 H VAL A 12 -9.294 7.386 5.263 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.496 6.837 8.081 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.584 8.028 8.841 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.523 10.279 8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.313 9.017 9.083 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.445 9.715 7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.516 9.764 7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.439 9.213 6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.719 8.138 6.643 1.00 0.00 H new ATOM 203 N GLU A 13 -10.258 5.363 6.022 1.00 0.00 N ATOM 204 CA GLU A 13 -11.166 4.201 5.768 1.00 0.00 C ATOM 205 C GLU A 13 -10.450 3.192 4.861 1.00 0.00 C ATOM 206 O GLU A 13 -9.776 3.557 3.920 1.00 0.00 O ATOM 207 CB GLU A 13 -12.451 4.687 5.089 1.00 0.00 C ATOM 208 CG GLU A 13 -13.456 3.533 5.006 1.00 0.00 C ATOM 209 CD GLU A 13 -13.974 3.207 6.409 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.670 3.959 7.320 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.664 2.210 6.548 1.00 0.00 O ATOM 0 H GLU A 13 -9.677 5.637 5.230 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.423 3.724 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.880 5.517 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.227 5.061 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.286 3.805 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.982 2.654 4.568 1.00 0.00 H new ATOM 218 N ASN A 14 -10.592 1.922 5.148 1.00 0.00 N ATOM 219 CA ASN A 14 -9.918 0.874 4.315 1.00 0.00 C ATOM 220 C ASN A 14 -10.894 0.305 3.284 1.00 0.00 C ATOM 221 O ASN A 14 -12.096 0.397 3.432 1.00 0.00 O ATOM 222 CB ASN A 14 -9.413 -0.252 5.220 1.00 0.00 C ATOM 223 CG ASN A 14 -10.586 -0.890 5.962 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.731 -0.674 5.620 1.00 0.00 O ATOM 225 ND2 ASN A 14 -10.344 -1.674 6.976 1.00 0.00 N ATOM 0 H ASN A 14 -11.147 1.563 5.925 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.077 1.327 3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.896 -1.004 4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.690 0.141 5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.117 -2.106 7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.382 -1.855 7.263 1.00 0.00 H new ATOM 232 N GLY A 15 -10.382 -0.292 2.239 1.00 0.00 N ATOM 233 CA GLY A 15 -11.272 -0.873 1.193 1.00 0.00 C ATOM 234 C GLY A 15 -11.725 0.230 0.237 1.00 0.00 C ATOM 235 O GLY A 15 -12.596 0.034 -0.587 1.00 0.00 O ATOM 0 H GLY A 15 -9.383 -0.402 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.744 -1.651 0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.138 -1.344 1.658 1.00 0.00 H new ATOM 239 N GLN A 16 -11.139 1.394 0.344 1.00 0.00 N ATOM 240 CA GLN A 16 -11.527 2.523 -0.553 1.00 0.00 C ATOM 241 C GLN A 16 -10.601 2.556 -1.770 1.00 0.00 C ATOM 242 O GLN A 16 -9.481 2.079 -1.725 1.00 0.00 O ATOM 243 CB GLN A 16 -11.416 3.843 0.213 1.00 0.00 C ATOM 244 CG GLN A 16 -10.000 3.993 0.772 1.00 0.00 C ATOM 245 CD GLN A 16 -9.901 5.292 1.575 1.00 0.00 C ATOM 246 OE1 GLN A 16 -9.108 5.395 2.489 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.681 6.294 1.274 1.00 0.00 N ATOM 0 H GLN A 16 -10.405 1.612 1.018 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.555 2.383 -0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.648 4.679 -0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.143 3.867 1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.757 3.141 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.275 4.001 -0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.347 6.209 0.507 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.624 7.162 1.806 1.00 0.00 H new ATOM 256 N TRP A 17 -11.070 3.123 -2.857 1.00 0.00 N ATOM 257 CA TRP A 17 -10.247 3.208 -4.103 1.00 0.00 C ATOM 258 C TRP A 17 -9.802 4.656 -4.326 1.00 0.00 C ATOM 259 O TRP A 17 -10.582 5.582 -4.224 1.00 0.00 O ATOM 260 CB TRP A 17 -11.086 2.738 -5.295 1.00 0.00 C ATOM 261 CG TRP A 17 -11.337 1.270 -5.166 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.465 0.715 -4.668 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.462 0.162 -5.530 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.339 -0.663 -4.704 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.122 -1.052 -5.228 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.172 0.094 -6.088 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.526 -2.290 -5.472 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.568 -1.149 -6.335 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.243 -2.339 -6.026 1.00 0.00 C ATOM 0 H TRP A 17 -12.000 3.535 -2.933 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.366 2.573 -4.004 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.031 3.280 -5.327 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.565 2.950 -6.229 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.324 1.258 -4.302 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.057 -1.312 -4.383 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.643 1.004 -6.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.052 -3.203 -5.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.578 -1.189 -6.765 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.772 -3.292 -6.216 1.00 0.00 H new ATOM 280 N ALA A 18 -8.555 4.850 -4.651 1.00 0.00 N ATOM 281 CA ALA A 18 -8.058 6.234 -4.908 1.00 0.00 C ATOM 282 C ALA A 18 -6.765 6.180 -5.725 1.00 0.00 C ATOM 283 O ALA A 18 -6.307 5.120 -6.105 1.00 0.00 O ATOM 284 CB ALA A 18 -7.803 6.944 -3.577 1.00 0.00 C ATOM 0 H ALA A 18 -7.857 4.112 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.810 6.786 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.440 7.954 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.731 6.993 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.056 6.391 -3.007 1.00 0.00 H new ATOM 290 N ASN A 19 -6.164 7.320 -5.980 1.00 0.00 N ATOM 291 CA ASN A 19 -4.882 7.358 -6.754 1.00 0.00 C ATOM 292 C ASN A 19 -3.819 8.046 -5.897 1.00 0.00 C ATOM 293 O ASN A 19 -4.109 8.992 -5.187 1.00 0.00 O ATOM 294 CB ASN A 19 -5.094 8.152 -8.047 1.00 0.00 C ATOM 295 CG ASN A 19 -3.742 8.535 -8.651 1.00 0.00 C ATOM 296 OD1 ASN A 19 -2.824 7.741 -8.680 1.00 0.00 O ATOM 297 ND2 ASN A 19 -3.581 9.735 -9.122 1.00 0.00 N ATOM 0 H ASN A 19 -6.510 8.232 -5.682 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.561 6.347 -7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.665 7.557 -8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.677 9.049 -7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.682 10.011 -9.517 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.353 10.401 -9.097 1.00 0.00 H new ATOM 304 N LEU A 20 -2.589 7.591 -5.959 1.00 0.00 N ATOM 305 CA LEU A 20 -1.514 8.233 -5.140 1.00 0.00 C ATOM 306 C LEU A 20 -0.228 8.345 -5.971 1.00 0.00 C ATOM 307 O LEU A 20 0.256 7.379 -6.531 1.00 0.00 O ATOM 308 CB LEU A 20 -1.253 7.372 -3.888 1.00 0.00 C ATOM 309 CG LEU A 20 -0.785 8.258 -2.718 1.00 0.00 C ATOM 310 CD1 LEU A 20 0.450 9.076 -3.139 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.939 9.207 -2.286 1.00 0.00 C ATOM 0 H LEU A 20 -2.286 6.808 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.829 9.232 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.162 6.839 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.497 6.618 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.512 7.625 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.774 9.700 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.256 8.399 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.195 9.709 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.605 9.833 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.224 9.839 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.798 8.615 -1.970 1.00 0.00 H new ATOM 323 N LYS A 21 0.333 9.525 -6.028 1.00 0.00 N ATOM 324 CA LYS A 21 1.599 9.747 -6.784 1.00 0.00 C ATOM 325 C LYS A 21 2.705 10.070 -5.780 1.00 0.00 C ATOM 326 O LYS A 21 2.537 10.886 -4.895 1.00 0.00 O ATOM 327 CB LYS A 21 1.419 10.925 -7.739 1.00 0.00 C ATOM 328 CG LYS A 21 2.646 11.039 -8.645 1.00 0.00 C ATOM 329 CD LYS A 21 2.578 12.343 -9.443 1.00 0.00 C ATOM 330 CE LYS A 21 1.427 12.284 -10.452 1.00 0.00 C ATOM 331 NZ LYS A 21 1.604 13.366 -11.462 1.00 0.00 N ATOM 0 H LYS A 21 -0.041 10.358 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 21 1.858 8.858 -7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.521 10.785 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.284 11.847 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.556 11.015 -8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.689 10.187 -9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.436 13.185 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.521 12.509 -9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.408 11.311 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.472 12.401 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.337 13.010 -12.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.000 14.175 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.599 13.668 -11.476 1.00 0.00 H new ATOM 345 N ALA A 22 3.830 9.433 -5.921 1.00 0.00 N ATOM 346 CA ALA A 22 4.953 9.697 -4.976 1.00 0.00 C ATOM 347 C ALA A 22 6.230 8.990 -5.431 1.00 0.00 C ATOM 348 O ALA A 22 6.298 8.410 -6.497 1.00 0.00 O ATOM 349 CB ALA A 22 4.586 9.199 -3.573 1.00 0.00 C ATOM 0 H ALA A 22 4.023 8.742 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 22 5.128 10.773 -4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.412 9.396 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.694 9.719 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.391 8.127 -3.607 1.00 0.00 H new ATOM 355 N LYS A 23 7.242 9.057 -4.601 1.00 0.00 N ATOM 356 CA LYS A 23 8.554 8.408 -4.939 1.00 0.00 C ATOM 357 C LYS A 23 8.817 7.237 -3.998 1.00 0.00 C ATOM 358 O LYS A 23 8.305 7.178 -2.899 1.00 0.00 O ATOM 359 CB LYS A 23 9.688 9.434 -4.837 1.00 0.00 C ATOM 360 CG LYS A 23 9.966 9.772 -3.373 1.00 0.00 C ATOM 361 CD LYS A 23 10.966 10.923 -3.284 1.00 0.00 C ATOM 362 CE LYS A 23 12.316 10.488 -3.865 1.00 0.00 C ATOM 363 NZ LYS A 23 13.381 11.396 -3.361 1.00 0.00 N ATOM 0 H LYS A 23 7.219 9.534 -3.700 1.00 0.00 H new ATOM 0 HA LYS A 23 8.510 8.033 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.590 9.037 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.419 10.339 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.038 10.046 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.360 8.896 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.588 11.788 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.089 11.230 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.534 9.459 -3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.283 10.516 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.715 12.003 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.999 11.989 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.175 10.831 -2.997 1.00 0.00 H new ATOM 377 N VAL A 24 9.600 6.289 -4.431 1.00 0.00 N ATOM 378 CA VAL A 24 9.876 5.104 -3.564 1.00 0.00 C ATOM 379 C VAL A 24 11.141 5.326 -2.731 1.00 0.00 C ATOM 380 O VAL A 24 12.237 5.405 -3.253 1.00 0.00 O ATOM 381 CB VAL A 24 10.060 3.878 -4.448 1.00 0.00 C ATOM 382 CG1 VAL A 24 10.332 2.647 -3.579 1.00 0.00 C ATOM 383 CG2 VAL A 24 8.786 3.661 -5.263 1.00 0.00 C ATOM 0 H VAL A 24 10.059 6.280 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 24 9.036 4.958 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 24 10.906 4.031 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.463 1.773 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.237 2.808 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.490 2.483 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.907 2.785 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.944 3.506 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.597 4.537 -5.883 1.00 0.00 H new ATOM 393 N ILE A 25 10.994 5.423 -1.435 1.00 0.00 N ATOM 394 CA ILE A 25 12.182 5.636 -0.553 1.00 0.00 C ATOM 395 C ILE A 25 13.023 4.358 -0.488 1.00 0.00 C ATOM 396 O ILE A 25 14.215 4.408 -0.266 1.00 0.00 O ATOM 397 CB ILE A 25 11.719 5.997 0.859 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.821 7.240 0.811 1.00 0.00 C ATOM 399 CG2 ILE A 25 12.928 6.257 1.762 1.00 0.00 C ATOM 400 CD1 ILE A 25 11.557 8.427 0.164 1.00 0.00 C ATOM 0 H ILE A 25 10.100 5.364 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 25 12.782 6.447 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 25 11.150 5.162 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.916 7.017 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.509 7.507 1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.585 6.513 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.547 5.361 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.514 7.082 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.898 9.295 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.449 8.662 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.846 8.165 -0.854 1.00 0.00 H new ATOM 412 N GLN A 26 12.423 3.215 -0.682 1.00 0.00 N ATOM 413 CA GLN A 26 13.205 1.951 -0.637 1.00 0.00 C ATOM 414 C GLN A 26 12.308 0.787 -1.080 1.00 0.00 C ATOM 415 O GLN A 26 11.101 0.914 -1.176 1.00 0.00 O ATOM 416 CB GLN A 26 13.727 1.720 0.804 1.00 0.00 C ATOM 417 CG GLN A 26 15.259 1.750 0.835 1.00 0.00 C ATOM 418 CD GLN A 26 15.807 0.495 0.152 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.780 0.561 -0.574 1.00 0.00 O ATOM 420 NE2 GLN A 26 15.218 -0.653 0.352 1.00 0.00 N ATOM 0 H GLN A 26 11.427 3.104 -0.869 1.00 0.00 H new ATOM 0 HA GLN A 26 14.059 2.014 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.330 2.488 1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.369 0.760 1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.626 2.643 0.329 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.612 1.800 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.402 -0.708 0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.574 -1.495 -0.101 1.00 0.00 H new ATOM 429 N LEU A 27 12.905 -0.348 -1.340 1.00 0.00 N ATOM 430 CA LEU A 27 12.128 -1.551 -1.777 1.00 0.00 C ATOM 431 C LEU A 27 12.660 -2.798 -1.078 1.00 0.00 C ATOM 432 O LEU A 27 13.770 -2.822 -0.582 1.00 0.00 O ATOM 433 CB LEU A 27 12.272 -1.733 -3.284 1.00 0.00 C ATOM 434 CG LEU A 27 11.497 -0.626 -4.005 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.827 -0.660 -5.502 1.00 0.00 C ATOM 436 CD2 LEU A 27 9.973 -0.801 -3.791 1.00 0.00 C ATOM 0 H LEU A 27 13.912 -0.496 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 27 11.079 -1.406 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.324 -1.699 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.893 -2.711 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 27 11.792 0.338 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.275 0.128 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.897 -0.504 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.544 -1.628 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.439 -0.005 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.659 -1.767 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.747 -0.754 -2.726 1.00 0.00 H new ATOM 448 N TRP A 28 11.870 -3.840 -1.047 1.00 0.00 N ATOM 449 CA TRP A 28 12.308 -5.110 -0.397 1.00 0.00 C ATOM 450 C TRP A 28 11.953 -6.294 -1.302 1.00 0.00 C ATOM 451 O TRP A 28 10.808 -6.684 -1.419 1.00 0.00 O ATOM 452 CB TRP A 28 11.596 -5.259 0.948 1.00 0.00 C ATOM 453 CG TRP A 28 12.288 -6.304 1.756 1.00 0.00 C ATOM 454 CD1 TRP A 28 13.494 -6.149 2.345 1.00 0.00 C ATOM 455 CD2 TRP A 28 11.844 -7.653 2.074 1.00 0.00 C ATOM 456 NE1 TRP A 28 13.823 -7.319 3.001 1.00 0.00 N ATOM 457 CE2 TRP A 28 12.836 -8.276 2.866 1.00 0.00 C ATOM 458 CE3 TRP A 28 10.689 -8.389 1.756 1.00 0.00 C ATOM 459 CZ2 TRP A 28 12.690 -9.583 3.325 1.00 0.00 C ATOM 460 CZ3 TRP A 28 10.536 -9.706 2.218 1.00 0.00 C ATOM 461 CH2 TRP A 28 11.536 -10.302 3.001 1.00 0.00 C ATOM 0 H TRP A 28 10.932 -3.865 -1.448 1.00 0.00 H new ATOM 0 HA TRP A 28 13.386 -5.089 -0.237 1.00 0.00 H new ATOM 0 HB2 TRP A 28 11.599 -4.309 1.482 1.00 0.00 H new ATOM 0 HB3 TRP A 28 10.553 -5.534 0.792 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.101 -5.257 2.309 1.00 0.00 H new ATOM 0 HE1 TRP A 28 14.689 -7.459 3.522 1.00 0.00 H new ATOM 0 HE3 TRP A 28 9.915 -7.939 1.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 13.463 -10.038 3.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 9.645 -10.263 1.970 1.00 0.00 H new ATOM 0 HH2 TRP A 28 11.414 -11.316 3.353 1.00 0.00 H new ATOM 472 N GLU A 29 12.933 -6.862 -1.944 1.00 0.00 N ATOM 473 CA GLU A 29 12.666 -8.018 -2.846 1.00 0.00 C ATOM 474 C GLU A 29 12.370 -9.257 -2.004 1.00 0.00 C ATOM 475 O GLU A 29 13.195 -9.697 -1.229 1.00 0.00 O ATOM 476 CB GLU A 29 13.900 -8.272 -3.722 1.00 0.00 C ATOM 477 CG GLU A 29 13.639 -9.424 -4.704 1.00 0.00 C ATOM 478 CD GLU A 29 12.609 -8.989 -5.748 1.00 0.00 C ATOM 479 OE1 GLU A 29 12.281 -7.817 -5.774 1.00 0.00 O ATOM 480 OE2 GLU A 29 12.173 -9.837 -6.510 1.00 0.00 O ATOM 0 H GLU A 29 13.910 -6.576 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 29 11.808 -7.799 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.153 -7.367 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.757 -8.511 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.568 -9.714 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.277 -10.299 -4.165 1.00 0.00 H new ATOM 487 N ASN A 30 11.202 -9.833 -2.152 1.00 0.00 N ATOM 488 CA ASN A 30 10.872 -11.055 -1.356 1.00 0.00 C ATOM 489 C ASN A 30 11.175 -12.303 -2.202 1.00 0.00 C ATOM 490 O ASN A 30 11.546 -12.204 -3.355 1.00 0.00 O ATOM 491 CB ASN A 30 9.379 -11.022 -0.978 1.00 0.00 C ATOM 492 CG ASN A 30 8.541 -11.750 -2.036 1.00 0.00 C ATOM 493 OD1 ASN A 30 8.525 -11.368 -3.190 1.00 0.00 O ATOM 494 ND2 ASN A 30 7.850 -12.796 -1.682 1.00 0.00 N ATOM 0 H ASN A 30 10.469 -9.513 -2.784 1.00 0.00 H new ATOM 0 HA ASN A 30 11.471 -11.085 -0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.234 -11.491 -0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.043 -9.989 -0.887 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.293 -13.297 -2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.866 -13.114 -0.713 1.00 0.00 H new ATOM 501 N THR A 31 10.983 -13.473 -1.642 1.00 0.00 N ATOM 502 CA THR A 31 11.214 -14.739 -2.407 1.00 0.00 C ATOM 503 C THR A 31 9.983 -15.642 -2.259 1.00 0.00 C ATOM 504 O THR A 31 9.941 -16.741 -2.776 1.00 0.00 O ATOM 505 CB THR A 31 12.452 -15.447 -1.860 1.00 0.00 C ATOM 506 OG1 THR A 31 12.264 -15.737 -0.482 1.00 0.00 O ATOM 507 CG2 THR A 31 13.665 -14.532 -2.039 1.00 0.00 C ATOM 0 H THR A 31 10.673 -13.606 -0.679 1.00 0.00 H new ATOM 0 HA THR A 31 11.374 -14.513 -3.461 1.00 0.00 H new ATOM 0 HB THR A 31 12.615 -16.380 -2.399 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.058 -16.193 -0.132 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.555 -15.028 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.803 -14.314 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.502 -13.602 -1.495 1.00 0.00 H new ATOM 515 N HIS A 32 8.980 -15.183 -1.547 1.00 0.00 N ATOM 516 CA HIS A 32 7.744 -16.008 -1.348 1.00 0.00 C ATOM 517 C HIS A 32 6.687 -15.625 -2.395 1.00 0.00 C ATOM 518 O HIS A 32 6.839 -14.666 -3.124 1.00 0.00 O ATOM 519 CB HIS A 32 7.190 -15.757 0.055 1.00 0.00 C ATOM 520 CG HIS A 32 8.258 -16.063 1.073 1.00 0.00 C ATOM 521 ND1 HIS A 32 8.630 -17.362 1.394 1.00 0.00 N ATOM 522 CD2 HIS A 32 9.051 -15.247 1.842 1.00 0.00 C ATOM 523 CE1 HIS A 32 9.605 -17.287 2.320 1.00 0.00 C ATOM 524 NE2 HIS A 32 9.899 -16.022 2.628 1.00 0.00 N ATOM 0 H HIS A 32 8.964 -14.269 -1.094 1.00 0.00 H new ATOM 0 HA HIS A 32 7.991 -17.063 -1.461 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.866 -14.721 0.151 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.314 -16.382 0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.021 -14.167 1.838 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.090 -18.146 2.760 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.596 -15.693 3.296 1.00 0.00 H new ATOM 532 N GLU A 33 5.622 -16.384 -2.479 1.00 0.00 N ATOM 533 CA GLU A 33 4.553 -16.083 -3.486 1.00 0.00 C ATOM 534 C GLU A 33 3.537 -15.110 -2.894 1.00 0.00 C ATOM 535 O GLU A 33 3.082 -14.195 -3.553 1.00 0.00 O ATOM 536 CB GLU A 33 3.838 -17.377 -3.863 1.00 0.00 C ATOM 537 CG GLU A 33 2.792 -17.092 -4.946 1.00 0.00 C ATOM 538 CD GLU A 33 2.109 -18.400 -5.352 1.00 0.00 C ATOM 539 OE1 GLU A 33 2.299 -19.384 -4.656 1.00 0.00 O ATOM 540 OE2 GLU A 33 1.406 -18.392 -6.348 1.00 0.00 O ATOM 0 H GLU A 33 5.445 -17.200 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 33 5.011 -15.636 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.559 -18.110 -4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.358 -17.808 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.052 -16.383 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.267 -16.633 -5.813 1.00 0.00 H new ATOM 547 N SER A 34 3.171 -15.304 -1.660 1.00 0.00 N ATOM 548 CA SER A 34 2.185 -14.388 -1.027 1.00 0.00 C ATOM 549 C SER A 34 2.894 -13.079 -0.695 1.00 0.00 C ATOM 550 O SER A 34 3.026 -12.756 0.462 1.00 0.00 O ATOM 551 CB SER A 34 1.678 -14.986 0.283 1.00 0.00 C ATOM 552 OG SER A 34 1.224 -16.307 0.065 1.00 0.00 O ATOM 0 H SER A 34 3.512 -16.057 -1.062 1.00 0.00 H new ATOM 0 HA SER A 34 1.350 -14.231 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.475 -14.984 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.868 -14.375 0.682 1.00 0.00 H new ATOM 0 HG SER A 34 0.902 -16.686 0.909 1.00 0.00 H new ATOM 558 N ILE A 35 3.332 -12.345 -1.703 1.00 0.00 N ATOM 559 CA ILE A 35 4.046 -11.023 -1.509 1.00 0.00 C ATOM 560 C ILE A 35 5.120 -10.853 -2.591 1.00 0.00 C ATOM 561 O ILE A 35 6.028 -11.649 -2.709 1.00 0.00 O ATOM 562 CB ILE A 35 4.709 -10.932 -0.103 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.707 -10.313 0.895 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.993 -10.065 -0.114 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.047 -10.760 2.318 1.00 0.00 C ATOM 0 H ILE A 35 3.222 -12.614 -2.681 1.00 0.00 H new ATOM 0 HA ILE A 35 3.305 -10.227 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 35 4.985 -11.944 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.739 -9.225 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.692 -10.618 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.418 -10.032 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.719 -10.499 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.746 -9.054 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.336 -10.320 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.992 -11.847 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.055 -10.432 2.571 1.00 0.00 H new ATOM 577 N SER A 36 5.021 -9.823 -3.385 1.00 0.00 N ATOM 578 CA SER A 36 6.037 -9.596 -4.451 1.00 0.00 C ATOM 579 C SER A 36 7.125 -8.638 -3.934 1.00 0.00 C ATOM 580 O SER A 36 8.305 -8.967 -3.899 1.00 0.00 O ATOM 581 CB SER A 36 5.350 -8.966 -5.660 1.00 0.00 C ATOM 582 OG SER A 36 6.176 -9.126 -6.806 1.00 0.00 O ATOM 0 H SER A 36 4.277 -9.126 -3.341 1.00 0.00 H new ATOM 0 HA SER A 36 6.494 -10.545 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.381 -9.436 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.164 -7.908 -5.477 1.00 0.00 H new ATOM 0 HG SER A 36 5.737 -8.724 -7.584 1.00 0.00 H new ATOM 588 N GLN A 37 6.741 -7.451 -3.527 1.00 0.00 N ATOM 589 CA GLN A 37 7.742 -6.463 -3.028 1.00 0.00 C ATOM 590 C GLN A 37 7.135 -5.630 -1.893 1.00 0.00 C ATOM 591 O GLN A 37 5.950 -5.358 -1.865 1.00 0.00 O ATOM 592 CB GLN A 37 8.117 -5.537 -4.205 1.00 0.00 C ATOM 593 CG GLN A 37 9.377 -6.045 -4.916 1.00 0.00 C ATOM 594 CD GLN A 37 10.613 -5.563 -4.158 1.00 0.00 C ATOM 595 OE1 GLN A 37 10.497 -4.997 -3.088 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.792 -5.733 -4.680 1.00 0.00 N ATOM 0 H GLN A 37 5.774 -7.126 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 37 8.624 -6.978 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.289 -5.487 -4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.284 -4.524 -3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.367 -7.134 -4.964 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.401 -5.681 -5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.889 -6.208 -5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.620 -5.392 -4.192 1.00 0.00 H new ATOM 605 N VAL A 38 7.960 -5.204 -0.978 1.00 0.00 N ATOM 606 CA VAL A 38 7.488 -4.360 0.156 1.00 0.00 C ATOM 607 C VAL A 38 8.441 -3.173 0.287 1.00 0.00 C ATOM 608 O VAL A 38 9.642 -3.338 0.361 1.00 0.00 O ATOM 609 CB VAL A 38 7.505 -5.186 1.447 1.00 0.00 C ATOM 610 CG1 VAL A 38 6.612 -4.514 2.490 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.983 -6.596 1.151 1.00 0.00 C ATOM 0 H VAL A 38 8.959 -5.409 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 38 6.472 -4.009 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 38 8.523 -5.249 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.622 -5.100 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.984 -3.510 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.592 -4.453 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.993 -7.187 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.963 -6.534 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.620 -7.071 0.405 1.00 0.00 H new ATOM 621 N GLY A 39 7.926 -1.977 0.315 1.00 0.00 N ATOM 622 CA GLY A 39 8.825 -0.791 0.436 1.00 0.00 C ATOM 623 C GLY A 39 8.066 0.370 1.068 1.00 0.00 C ATOM 624 O GLY A 39 7.063 0.186 1.729 1.00 0.00 O ATOM 0 H GLY A 39 6.929 -1.767 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.694 -1.043 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.196 -0.503 -0.547 1.00 0.00 H new ATOM 628 N LEU A 40 8.555 1.568 0.879 1.00 0.00 N ATOM 629 CA LEU A 40 7.889 2.767 1.474 1.00 0.00 C ATOM 630 C LEU A 40 7.724 3.844 0.408 1.00 0.00 C ATOM 631 O LEU A 40 8.520 3.956 -0.502 1.00 0.00 O ATOM 632 CB LEU A 40 8.753 3.316 2.614 1.00 0.00 C ATOM 633 CG LEU A 40 8.960 2.233 3.703 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.272 1.471 3.460 1.00 0.00 C ATOM 635 CD2 LEU A 40 9.012 2.888 5.093 1.00 0.00 C ATOM 0 H LEU A 40 9.393 1.769 0.334 1.00 0.00 H new ATOM 0 HA LEU A 40 6.910 2.481 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.719 3.639 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.276 4.194 3.050 1.00 0.00 H new ATOM 0 HG LEU A 40 8.124 1.536 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.402 0.714 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.237 0.989 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.109 2.169 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.158 2.119 5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.839 3.597 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.076 3.413 5.283 1.00 0.00 H new ATOM 647 N LEU A 41 6.694 4.644 0.522 1.00 0.00 N ATOM 648 CA LEU A 41 6.456 5.727 -0.475 1.00 0.00 C ATOM 649 C LEU A 41 6.742 7.073 0.173 1.00 0.00 C ATOM 650 O LEU A 41 6.225 7.394 1.225 1.00 0.00 O ATOM 651 CB LEU A 41 4.990 5.669 -0.932 1.00 0.00 C ATOM 652 CG LEU A 41 4.809 4.543 -1.973 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.363 4.034 -1.948 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.121 5.073 -3.383 1.00 0.00 C ATOM 0 H LEU A 41 6.003 4.591 1.270 1.00 0.00 H new ATOM 0 HA LEU A 41 7.111 5.596 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.340 5.492 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.696 6.626 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 41 5.492 3.730 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.244 3.240 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.131 3.646 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.685 4.854 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.991 4.271 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.444 5.893 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.150 5.430 -3.418 1.00 0.00 H new ATOM 666 N GLY A 42 7.579 7.852 -0.453 1.00 0.00 N ATOM 667 CA GLY A 42 7.938 9.186 0.094 1.00 0.00 C ATOM 668 C GLY A 42 7.030 10.259 -0.506 1.00 0.00 C ATOM 669 O GLY A 42 7.232 10.699 -1.623 1.00 0.00 O ATOM 0 H GLY A 42 8.035 7.615 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.841 9.181 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.980 9.412 -0.132 1.00 0.00 H new ATOM 673 N ASP A 43 6.029 10.684 0.221 1.00 0.00 N ATOM 674 CA ASP A 43 5.104 11.737 -0.297 1.00 0.00 C ATOM 675 C ASP A 43 5.414 13.065 0.393 1.00 0.00 C ATOM 676 O ASP A 43 6.045 13.108 1.432 1.00 0.00 O ATOM 677 CB ASP A 43 3.662 11.338 0.005 1.00 0.00 C ATOM 678 CG ASP A 43 3.524 11.012 1.492 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.921 9.925 1.879 1.00 0.00 O ATOM 680 OD2 ASP A 43 3.012 11.846 2.216 1.00 0.00 O ATOM 0 H ASP A 43 5.811 10.344 1.158 1.00 0.00 H new ATOM 0 HA ASP A 43 5.237 11.842 -1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.985 12.149 -0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.379 10.473 -0.596 1.00 0.00 H new ATOM 685 N GLU A 44 4.971 14.148 -0.180 1.00 0.00 N ATOM 686 CA GLU A 44 5.226 15.485 0.422 1.00 0.00 C ATOM 687 C GLU A 44 4.431 15.632 1.723 1.00 0.00 C ATOM 688 O GLU A 44 4.711 16.487 2.540 1.00 0.00 O ATOM 689 CB GLU A 44 4.782 16.560 -0.570 1.00 0.00 C ATOM 690 CG GLU A 44 5.130 17.948 -0.028 1.00 0.00 C ATOM 691 CD GLU A 44 4.756 19.004 -1.069 1.00 0.00 C ATOM 692 OE1 GLU A 44 4.058 18.658 -2.008 1.00 0.00 O ATOM 693 OE2 GLU A 44 5.173 20.139 -0.909 1.00 0.00 O ATOM 0 H GLU A 44 4.437 14.164 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 44 6.288 15.592 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.270 16.403 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.708 16.486 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.594 18.133 0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.194 18.006 0.200 1.00 0.00 H new ATOM 700 N THR A 45 3.441 14.803 1.924 1.00 0.00 N ATOM 701 CA THR A 45 2.626 14.896 3.172 1.00 0.00 C ATOM 702 C THR A 45 3.185 13.929 4.215 1.00 0.00 C ATOM 703 O THR A 45 2.730 13.884 5.339 1.00 0.00 O ATOM 704 CB THR A 45 1.172 14.531 2.856 1.00 0.00 C ATOM 705 OG1 THR A 45 1.083 13.145 2.557 1.00 0.00 O ATOM 706 CG2 THR A 45 0.691 15.345 1.653 1.00 0.00 C ATOM 0 H THR A 45 3.161 14.065 1.278 1.00 0.00 H new ATOM 0 HA THR A 45 2.667 15.912 3.563 1.00 0.00 H new ATOM 0 HB THR A 45 0.547 14.755 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.941 12.831 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.343 15.085 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.756 16.408 1.884 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.317 15.122 0.789 1.00 0.00 H new ATOM 714 N GLY A 46 4.177 13.155 3.856 1.00 0.00 N ATOM 715 CA GLY A 46 4.769 12.198 4.835 1.00 0.00 C ATOM 716 C GLY A 46 5.233 10.934 4.116 1.00 0.00 C ATOM 717 O GLY A 46 5.715 10.979 3.000 1.00 0.00 O ATOM 0 H GLY A 46 4.601 13.145 2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.610 12.664 5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.033 11.943 5.597 1.00 0.00 H new ATOM 721 N ILE A 47 5.097 9.803 4.761 1.00 0.00 N ATOM 722 CA ILE A 47 5.535 8.519 4.140 1.00 0.00 C ATOM 723 C ILE A 47 4.598 7.385 4.563 1.00 0.00 C ATOM 724 O ILE A 47 3.822 7.518 5.487 1.00 0.00 O ATOM 725 CB ILE A 47 6.973 8.193 4.586 1.00 0.00 C ATOM 726 CG1 ILE A 47 7.018 7.759 6.067 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.859 9.427 4.401 1.00 0.00 C ATOM 728 CD1 ILE A 47 6.345 8.799 6.972 1.00 0.00 C ATOM 0 H ILE A 47 4.699 9.715 5.696 1.00 0.00 H new ATOM 0 HA ILE A 47 5.504 8.621 3.055 1.00 0.00 H new ATOM 0 HB ILE A 47 7.337 7.369 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.519 6.797 6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.054 7.620 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.876 9.195 4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.863 9.718 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.470 10.248 5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.393 8.465 8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.861 9.754 6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.302 8.918 6.677 1.00 0.00 H new ATOM 740 N ILE A 48 4.676 6.260 3.904 1.00 0.00 N ATOM 741 CA ILE A 48 3.801 5.116 4.295 1.00 0.00 C ATOM 742 C ILE A 48 4.347 3.818 3.700 1.00 0.00 C ATOM 743 O ILE A 48 5.148 3.828 2.789 1.00 0.00 O ATOM 744 CB ILE A 48 2.378 5.359 3.802 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.466 4.227 4.284 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.360 5.418 2.276 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.005 4.635 4.095 1.00 0.00 C ATOM 0 H ILE A 48 5.302 6.084 3.118 1.00 0.00 H new ATOM 0 HA ILE A 48 3.789 5.030 5.382 1.00 0.00 H new ATOM 0 HB ILE A 48 2.019 6.308 4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.675 3.314 3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.661 4.010 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.341 5.592 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.002 6.231 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.724 4.474 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.645 3.830 4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.199 5.537 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.185 4.830 3.039 1.00 0.00 H new ATOM 759 N LYS A 49 3.918 2.698 4.216 1.00 0.00 N ATOM 760 CA LYS A 49 4.403 1.383 3.693 1.00 0.00 C ATOM 761 C LYS A 49 3.393 0.822 2.689 1.00 0.00 C ATOM 762 O LYS A 49 2.201 1.057 2.801 1.00 0.00 O ATOM 763 CB LYS A 49 4.536 0.410 4.859 1.00 0.00 C ATOM 764 CG LYS A 49 5.655 0.886 5.786 1.00 0.00 C ATOM 765 CD LYS A 49 5.724 -0.012 7.024 1.00 0.00 C ATOM 766 CE LYS A 49 6.370 -1.358 6.670 1.00 0.00 C ATOM 767 NZ LYS A 49 6.697 -2.090 7.923 1.00 0.00 N ATOM 0 H LYS A 49 3.248 2.635 4.982 1.00 0.00 H new ATOM 0 HA LYS A 49 5.366 1.518 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.595 0.349 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.755 -0.592 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.609 0.867 5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.477 1.919 6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.300 0.481 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.722 -0.175 7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.691 -1.950 6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.274 -1.197 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.135 -3.003 7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.359 -1.525 8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.826 -2.254 8.467 1.00 0.00 H new ATOM 781 N PHE A 50 3.833 0.065 1.709 1.00 0.00 N ATOM 782 CA PHE A 50 2.878 -0.513 0.724 1.00 0.00 C ATOM 783 C PHE A 50 3.402 -1.896 0.319 1.00 0.00 C ATOM 784 O PHE A 50 4.581 -2.185 0.455 1.00 0.00 O ATOM 785 CB PHE A 50 2.800 0.390 -0.510 1.00 0.00 C ATOM 786 CG PHE A 50 4.121 0.377 -1.250 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.134 1.279 -0.904 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.320 -0.527 -2.301 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.344 1.276 -1.611 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.532 -0.532 -3.001 1.00 0.00 C ATOM 791 CZ PHE A 50 6.540 0.371 -2.659 1.00 0.00 C ATOM 0 H PHE A 50 4.812 -0.174 1.554 1.00 0.00 H new ATOM 0 HA PHE A 50 1.882 -0.594 1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.002 0.049 -1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.553 1.408 -0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.983 1.976 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.538 -1.221 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.125 1.973 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.687 -1.235 -3.806 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.472 0.371 -3.204 1.00 0.00 H new ATOM 801 N THR A 51 2.538 -2.752 -0.162 1.00 0.00 N ATOM 802 CA THR A 51 2.958 -4.131 -0.571 1.00 0.00 C ATOM 803 C THR A 51 2.416 -4.442 -1.971 1.00 0.00 C ATOM 804 O THR A 51 1.265 -4.192 -2.271 1.00 0.00 O ATOM 805 CB THR A 51 2.391 -5.136 0.426 1.00 0.00 C ATOM 806 OG1 THR A 51 2.896 -4.842 1.721 1.00 0.00 O ATOM 807 CG2 THR A 51 2.803 -6.548 0.018 1.00 0.00 C ATOM 0 H THR A 51 1.546 -2.554 -0.291 1.00 0.00 H new ATOM 0 HA THR A 51 4.046 -4.194 -0.586 1.00 0.00 H new ATOM 0 HB THR A 51 1.303 -5.072 0.436 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.534 -5.484 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.397 -7.266 0.731 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.416 -6.767 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.890 -6.621 0.008 1.00 0.00 H new ATOM 815 N ILE A 52 3.240 -4.986 -2.828 1.00 0.00 N ATOM 816 CA ILE A 52 2.793 -5.317 -4.218 1.00 0.00 C ATOM 817 C ILE A 52 2.536 -6.817 -4.317 1.00 0.00 C ATOM 818 O ILE A 52 3.367 -7.624 -3.948 1.00 0.00 O ATOM 819 CB ILE A 52 3.893 -4.920 -5.205 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.402 -3.502 -4.877 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.344 -4.960 -6.632 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.261 -2.475 -4.959 1.00 0.00 C ATOM 0 H ILE A 52 4.212 -5.218 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 52 1.877 -4.774 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 52 4.722 -5.623 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.836 -3.490 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.195 -3.226 -5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.130 -4.677 -7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.000 -5.969 -6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.510 -4.263 -6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.647 -1.483 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.845 -2.473 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.481 -2.740 -4.245 1.00 0.00 H new ATOM 834 N TRP A 53 1.383 -7.204 -4.791 1.00 0.00 N ATOM 835 CA TRP A 53 1.067 -8.654 -4.891 1.00 0.00 C ATOM 836 C TRP A 53 1.645 -9.241 -6.182 1.00 0.00 C ATOM 837 O TRP A 53 1.565 -8.652 -7.240 1.00 0.00 O ATOM 838 CB TRP A 53 -0.453 -8.820 -4.891 1.00 0.00 C ATOM 839 CG TRP A 53 -0.984 -8.532 -3.523 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.794 -7.497 -3.199 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.742 -9.264 -2.290 1.00 0.00 C ATOM 842 NE1 TRP A 53 -2.071 -7.556 -1.845 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.446 -8.628 -1.242 1.00 0.00 C ATOM 844 CE3 TRP A 53 0.008 -10.413 -1.985 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.403 -9.112 0.065 1.00 0.00 C ATOM 846 CZ3 TRP A 53 0.054 -10.904 -0.672 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.652 -10.256 0.352 1.00 0.00 C ATOM 0 H TRP A 53 0.646 -6.576 -5.113 1.00 0.00 H new ATOM 0 HA TRP A 53 1.508 -9.181 -4.045 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.904 -8.144 -5.618 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.719 -9.834 -5.191 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.163 -6.749 -3.885 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.665 -6.889 -1.353 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.553 -10.921 -2.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.946 -8.607 0.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.636 -11.786 -0.448 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.616 -10.640 1.361 1.00 0.00 H new ATOM 858 N LYS A 54 2.224 -10.407 -6.089 1.00 0.00 N ATOM 859 CA LYS A 54 2.814 -11.066 -7.291 1.00 0.00 C ATOM 860 C LYS A 54 1.704 -11.355 -8.303 1.00 0.00 C ATOM 861 O LYS A 54 1.913 -11.313 -9.499 1.00 0.00 O ATOM 862 CB LYS A 54 3.466 -12.384 -6.865 1.00 0.00 C ATOM 863 CG LYS A 54 4.185 -13.017 -8.057 1.00 0.00 C ATOM 864 CD LYS A 54 4.858 -14.317 -7.611 1.00 0.00 C ATOM 865 CE LYS A 54 5.594 -14.945 -8.795 1.00 0.00 C ATOM 866 NZ LYS A 54 6.238 -16.218 -8.362 1.00 0.00 N ATOM 0 H LYS A 54 2.315 -10.937 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 54 3.560 -10.413 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.174 -12.205 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.709 -13.067 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.475 -13.218 -8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.929 -12.327 -8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.558 -14.116 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.112 -15.011 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.896 -15.137 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.347 -14.255 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.739 -16.645 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.915 -16.022 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.510 -16.876 -8.019 1.00 0.00 H new ATOM 880 N ASN A 55 0.529 -11.657 -7.829 1.00 0.00 N ATOM 881 CA ASN A 55 -0.596 -11.961 -8.755 1.00 0.00 C ATOM 882 C ASN A 55 -0.844 -10.762 -9.672 1.00 0.00 C ATOM 883 O ASN A 55 -1.569 -10.852 -10.643 1.00 0.00 O ATOM 884 CB ASN A 55 -1.854 -12.248 -7.932 1.00 0.00 C ATOM 885 CG ASN A 55 -3.021 -12.567 -8.866 1.00 0.00 C ATOM 886 OD1 ASN A 55 -2.891 -13.366 -9.771 1.00 0.00 O ATOM 887 ND2 ASN A 55 -4.169 -11.974 -8.678 1.00 0.00 N ATOM 0 H ASN A 55 0.298 -11.707 -6.837 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.348 -12.831 -9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.676 -13.086 -7.258 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.098 -11.386 -7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.957 -12.182 -9.291 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.278 -11.303 -7.918 1.00 0.00 H new ATOM 894 N ALA A 56 -0.239 -9.640 -9.380 1.00 0.00 N ATOM 895 CA ALA A 56 -0.432 -8.442 -10.246 1.00 0.00 C ATOM 896 C ALA A 56 0.570 -8.496 -11.401 1.00 0.00 C ATOM 897 O ALA A 56 0.373 -7.889 -12.436 1.00 0.00 O ATOM 898 CB ALA A 56 -0.203 -7.174 -9.422 1.00 0.00 C ATOM 0 H ALA A 56 0.379 -9.503 -8.580 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.447 -8.431 -10.642 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.344 -6.298 -10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.914 -7.143 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.813 -7.176 -9.026 1.00 0.00 H new ATOM 904 N GLU A 57 1.646 -9.221 -11.224 1.00 0.00 N ATOM 905 CA GLU A 57 2.678 -9.332 -12.296 1.00 0.00 C ATOM 906 C GLU A 57 3.149 -7.941 -12.710 1.00 0.00 C ATOM 907 O GLU A 57 3.093 -7.576 -13.866 1.00 0.00 O ATOM 908 CB GLU A 57 2.091 -10.061 -13.508 1.00 0.00 C ATOM 909 CG GLU A 57 1.813 -11.514 -13.129 1.00 0.00 C ATOM 910 CD GLU A 57 1.147 -12.234 -14.303 1.00 0.00 C ATOM 911 OE1 GLU A 57 0.942 -11.598 -15.324 1.00 0.00 O ATOM 912 OE2 GLU A 57 0.856 -13.410 -14.160 1.00 0.00 O ATOM 0 H GLU A 57 1.854 -9.745 -10.374 1.00 0.00 H new ATOM 0 HA GLU A 57 3.528 -9.898 -11.914 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.171 -9.574 -13.831 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.786 -10.017 -14.346 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.744 -12.015 -12.863 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.167 -11.554 -12.252 1.00 0.00 H new ATOM 919 N LEU A 58 3.617 -7.161 -11.765 1.00 0.00 N ATOM 920 CA LEU A 58 4.103 -5.780 -12.085 1.00 0.00 C ATOM 921 C LEU A 58 5.641 -5.742 -12.031 1.00 0.00 C ATOM 922 O LEU A 58 6.250 -6.448 -11.251 1.00 0.00 O ATOM 923 CB LEU A 58 3.537 -4.799 -11.054 1.00 0.00 C ATOM 924 CG LEU A 58 2.005 -4.862 -11.068 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.462 -4.173 -9.817 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.442 -4.161 -12.318 1.00 0.00 C ATOM 0 H LEU A 58 3.684 -7.422 -10.781 1.00 0.00 H new ATOM 0 HA LEU A 58 3.772 -5.502 -13.085 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.912 -5.044 -10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.871 -3.786 -11.280 1.00 0.00 H new ATOM 0 HG LEU A 58 1.698 -5.908 -11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.373 -4.215 -9.822 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.840 -4.680 -8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.785 -3.132 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.354 -4.218 -12.308 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.751 -3.116 -12.319 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.822 -4.653 -13.213 1.00 0.00 H new ATOM 938 N PRO A 59 6.268 -4.916 -12.846 1.00 0.00 N ATOM 939 CA PRO A 59 7.759 -4.791 -12.875 1.00 0.00 C ATOM 940 C PRO A 59 8.323 -4.164 -11.588 1.00 0.00 C ATOM 941 O PRO A 59 7.621 -3.514 -10.837 1.00 0.00 O ATOM 942 CB PRO A 59 8.035 -3.900 -14.101 1.00 0.00 C ATOM 943 CG PRO A 59 6.772 -3.126 -14.320 1.00 0.00 C ATOM 944 CD PRO A 59 5.629 -4.021 -13.833 1.00 0.00 C ATOM 0 HA PRO A 59 8.245 -5.764 -12.940 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.878 -3.233 -13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.285 -4.501 -14.976 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.792 -2.186 -13.769 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.648 -2.875 -15.373 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.829 -3.435 -13.381 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.186 -4.585 -14.654 1.00 0.00 H new ATOM 952 N LEU A 60 9.587 -4.375 -11.331 1.00 0.00 N ATOM 953 CA LEU A 60 10.213 -3.821 -10.098 1.00 0.00 C ATOM 954 C LEU A 60 10.274 -2.294 -10.183 1.00 0.00 C ATOM 955 O LEU A 60 10.587 -1.725 -11.210 1.00 0.00 O ATOM 956 CB LEU A 60 11.630 -4.381 -9.968 1.00 0.00 C ATOM 957 CG LEU A 60 11.582 -5.913 -10.020 1.00 0.00 C ATOM 958 CD1 LEU A 60 13.010 -6.464 -9.954 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.760 -6.457 -8.839 1.00 0.00 C ATOM 0 H LEU A 60 10.216 -4.912 -11.928 1.00 0.00 H new ATOM 0 HA LEU A 60 9.618 -4.103 -9.229 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.259 -3.999 -10.772 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.078 -4.052 -9.030 1.00 0.00 H new ATOM 0 HG LEU A 60 11.109 -6.228 -10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.982 -7.553 -9.991 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.585 -6.087 -10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.481 -6.144 -9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.732 -7.546 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.220 -6.146 -7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.744 -6.066 -8.892 1.00 0.00 H new ATOM 971 N LEU A 61 9.969 -1.638 -9.099 1.00 0.00 N ATOM 972 CA LEU A 61 9.991 -0.148 -9.074 1.00 0.00 C ATOM 973 C LEU A 61 11.431 0.343 -8.916 1.00 0.00 C ATOM 974 O LEU A 61 12.280 -0.355 -8.398 1.00 0.00 O ATOM 975 CB LEU A 61 9.152 0.345 -7.895 1.00 0.00 C ATOM 976 CG LEU A 61 7.667 0.248 -8.248 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.315 -1.199 -8.615 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.834 0.694 -7.042 1.00 0.00 C ATOM 0 H LEU A 61 9.702 -2.076 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 61 9.580 0.239 -10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.365 -0.252 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.413 1.376 -7.655 1.00 0.00 H new ATOM 0 HG LEU A 61 7.451 0.892 -9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.256 -1.263 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.911 -1.512 -9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.528 -1.851 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.774 0.627 -7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.051 0.048 -6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.083 1.724 -6.788 1.00 0.00 H new ATOM 990 N GLU A 62 11.710 1.545 -9.362 1.00 0.00 N ATOM 991 CA GLU A 62 13.099 2.097 -9.247 1.00 0.00 C ATOM 992 C GLU A 62 13.177 3.059 -8.051 1.00 0.00 C ATOM 993 O GLU A 62 12.456 4.033 -7.961 1.00 0.00 O ATOM 994 CB GLU A 62 13.452 2.839 -10.549 1.00 0.00 C ATOM 995 CG GLU A 62 14.972 2.869 -10.741 1.00 0.00 C ATOM 996 CD GLU A 62 15.601 3.677 -9.609 1.00 0.00 C ATOM 997 OE1 GLU A 62 15.261 4.843 -9.483 1.00 0.00 O ATOM 998 OE2 GLU A 62 16.410 3.120 -8.886 1.00 0.00 O ATOM 0 H GLU A 62 11.034 2.170 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 62 13.809 1.285 -9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.980 2.345 -11.398 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.062 3.856 -10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.371 1.855 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.221 3.314 -11.704 1.00 0.00 H new ATOM 1005 N GLN A 63 14.050 2.774 -7.129 1.00 0.00 N ATOM 1006 CA GLN A 63 14.191 3.640 -5.924 1.00 0.00 C ATOM 1007 C GLN A 63 14.652 5.040 -6.322 1.00 0.00 C ATOM 1008 O GLN A 63 15.518 5.207 -7.158 1.00 0.00 O ATOM 1009 CB GLN A 63 15.210 3.011 -4.983 1.00 0.00 C ATOM 1010 CG GLN A 63 14.627 1.717 -4.430 1.00 0.00 C ATOM 1011 CD GLN A 63 15.681 0.990 -3.600 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.847 0.986 -3.941 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.316 0.373 -2.512 1.00 0.00 N ATOM 0 H GLN A 63 14.679 1.971 -7.157 1.00 0.00 H new ATOM 0 HA GLN A 63 13.225 3.725 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.141 2.810 -5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.448 3.697 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.753 1.934 -3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.291 1.080 -5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.337 0.377 -2.227 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.010 -0.114 -1.945 1.00 0.00 H new ATOM 1022 N GLY A 64 14.085 6.051 -5.717 1.00 0.00 N ATOM 1023 CA GLY A 64 14.488 7.453 -6.042 1.00 0.00 C ATOM 1024 C GLY A 64 13.661 7.966 -7.222 1.00 0.00 C ATOM 1025 O GLY A 64 13.682 9.139 -7.541 1.00 0.00 O ATOM 0 H GLY A 64 13.356 5.966 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.339 8.095 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.550 7.489 -6.286 1.00 0.00 H new ATOM 1029 N GLU A 65 12.939 7.098 -7.881 1.00 0.00 N ATOM 1030 CA GLU A 65 12.118 7.534 -9.049 1.00 0.00 C ATOM 1031 C GLU A 65 10.681 7.831 -8.612 1.00 0.00 C ATOM 1032 O GLU A 65 10.210 7.363 -7.585 1.00 0.00 O ATOM 1033 CB GLU A 65 12.125 6.426 -10.108 1.00 0.00 C ATOM 1034 CG GLU A 65 11.351 6.892 -11.345 1.00 0.00 C ATOM 1035 CD GLU A 65 11.536 5.886 -12.482 1.00 0.00 C ATOM 1036 OE1 GLU A 65 12.448 5.081 -12.395 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.767 5.945 -13.426 1.00 0.00 O ATOM 0 H GLU A 65 12.882 6.104 -7.660 1.00 0.00 H new ATOM 0 HA GLU A 65 12.544 8.446 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.150 6.176 -10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.673 5.520 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.292 6.994 -11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.703 7.875 -11.656 1.00 0.00 H new ATOM 1044 N SER A 66 9.987 8.610 -9.405 1.00 0.00 N ATOM 1045 CA SER A 66 8.572 8.969 -9.099 1.00 0.00 C ATOM 1046 C SER A 66 7.643 8.010 -9.850 1.00 0.00 C ATOM 1047 O SER A 66 7.724 7.870 -11.061 1.00 0.00 O ATOM 1048 CB SER A 66 8.301 10.404 -9.556 1.00 0.00 C ATOM 1049 OG SER A 66 8.651 10.533 -10.926 1.00 0.00 O ATOM 0 H SER A 66 10.350 9.018 -10.266 1.00 0.00 H new ATOM 0 HA SER A 66 8.394 8.892 -8.026 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.249 10.651 -9.412 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.878 11.105 -8.953 1.00 0.00 H new ATOM 0 HG SER A 66 9.358 11.205 -11.021 1.00 0.00 H new ATOM 1055 N TYR A 67 6.760 7.352 -9.135 1.00 0.00 N ATOM 1056 CA TYR A 67 5.811 6.389 -9.771 1.00 0.00 C ATOM 1057 C TYR A 67 4.377 6.854 -9.547 1.00 0.00 C ATOM 1058 O TYR A 67 4.049 7.474 -8.554 1.00 0.00 O ATOM 1059 CB TYR A 67 5.987 4.997 -9.143 1.00 0.00 C ATOM 1060 CG TYR A 67 7.199 4.318 -9.730 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.106 3.696 -10.979 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.408 4.304 -9.027 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.223 3.061 -11.528 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.525 3.669 -9.578 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.433 3.046 -10.827 1.00 0.00 C ATOM 1066 OH TYR A 67 10.537 2.425 -11.370 1.00 0.00 O ATOM 0 H TYR A 67 6.658 7.445 -8.124 1.00 0.00 H new ATOM 0 HA TYR A 67 6.019 6.341 -10.840 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.098 5.087 -8.062 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.098 4.392 -9.323 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.171 3.706 -11.519 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.478 4.782 -8.061 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.152 2.582 -12.493 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.460 3.659 -9.038 1.00 0.00 H new ATOM 0 HH TYR A 67 10.262 1.592 -11.807 1.00 0.00 H new ATOM 1076 N LEU A 68 3.523 6.527 -10.474 1.00 0.00 N ATOM 1077 CA LEU A 68 2.083 6.897 -10.370 1.00 0.00 C ATOM 1078 C LEU A 68 1.286 5.619 -10.146 1.00 0.00 C ATOM 1079 O LEU A 68 1.415 4.676 -10.891 1.00 0.00 O ATOM 1080 CB LEU A 68 1.642 7.577 -11.673 1.00 0.00 C ATOM 1081 CG LEU A 68 0.127 7.800 -11.671 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.299 8.569 -10.414 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.262 8.605 -12.916 1.00 0.00 C ATOM 0 H LEU A 68 3.767 6.008 -11.318 1.00 0.00 H new ATOM 0 HA LEU A 68 1.917 7.587 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.157 8.531 -11.785 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.924 6.960 -12.526 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.376 6.833 -11.677 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.378 8.719 -10.428 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.023 7.998 -9.527 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.202 9.537 -10.392 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.340 8.768 -12.922 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.250 9.567 -12.902 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.026 8.053 -13.811 1.00 0.00 H new ATOM 1095 N LEU A 69 0.466 5.578 -9.127 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.339 4.351 -8.847 1.00 0.00 C ATOM 1097 C LEU A 69 -1.823 4.665 -9.040 1.00 0.00 C ATOM 1098 O LEU A 69 -2.396 5.458 -8.320 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.094 3.931 -7.402 1.00 0.00 C ATOM 1100 CG LEU A 69 1.413 3.863 -7.139 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.653 3.468 -5.681 1.00 0.00 C ATOM 1102 CD2 LEU A 69 2.054 2.825 -8.071 1.00 0.00 C ATOM 0 H LEU A 69 0.319 6.347 -8.473 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.049 3.548 -9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.561 4.642 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.551 2.960 -7.212 1.00 0.00 H new ATOM 0 HG LEU A 69 1.862 4.838 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.725 3.418 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.201 4.211 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.205 2.493 -5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.126 2.779 -7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.610 1.847 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.881 3.111 -9.108 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.444 4.045 -10.012 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.897 4.298 -10.283 1.00 0.00 C ATOM 1116 C ARG A 70 -4.730 3.077 -9.904 1.00 0.00 C ATOM 1117 O ARG A 70 -4.294 1.947 -10.028 1.00 0.00 O ATOM 1118 CB ARG A 70 -4.098 4.585 -11.773 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.501 5.948 -12.108 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.654 6.224 -13.604 1.00 0.00 C ATOM 1121 NE ARG A 70 -3.099 7.569 -13.920 1.00 0.00 N ATOM 1122 CZ ARG A 70 -2.968 7.950 -15.163 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.322 7.150 -16.135 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -2.486 9.131 -15.436 1.00 0.00 N ATOM 0 H ARG A 70 -2.005 3.368 -10.636 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.216 5.153 -9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.622 3.809 -12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.160 4.570 -12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.001 6.726 -11.532 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.447 5.973 -11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.134 5.459 -14.181 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.705 6.177 -13.888 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.820 8.195 -13.164 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.701 6.227 -15.923 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.219 7.449 -17.105 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.211 9.757 -14.679 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.384 9.428 -16.406 1.00 0.00 H new ATOM 1138 N SER A 71 -5.937 3.315 -9.454 1.00 0.00 N ATOM 1139 CA SER A 71 -6.859 2.206 -9.069 1.00 0.00 C ATOM 1140 C SER A 71 -6.234 1.335 -7.975 1.00 0.00 C ATOM 1141 O SER A 71 -6.071 0.143 -8.141 1.00 0.00 O ATOM 1142 CB SER A 71 -7.183 1.347 -10.295 1.00 0.00 C ATOM 1143 OG SER A 71 -7.673 0.083 -9.868 1.00 0.00 O ATOM 0 H SER A 71 -6.328 4.250 -9.336 1.00 0.00 H new ATOM 0 HA SER A 71 -7.779 2.643 -8.680 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.926 1.846 -10.917 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.291 1.216 -10.907 1.00 0.00 H new ATOM 0 HG SER A 71 -6.947 -0.425 -9.450 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.897 1.919 -6.849 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.301 1.124 -5.729 1.00 0.00 C ATOM 1151 C VAL A 72 -6.322 1.019 -4.600 1.00 0.00 C ATOM 1152 O VAL A 72 -7.257 1.793 -4.527 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.032 1.811 -5.213 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.933 1.715 -6.271 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.317 3.288 -4.909 1.00 0.00 C ATOM 0 H VAL A 72 -6.010 2.915 -6.658 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.040 0.129 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.708 1.314 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.031 2.204 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.719 0.667 -6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.265 2.206 -7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.408 3.766 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.650 3.789 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.096 3.359 -4.150 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.148 0.059 -3.727 1.00 0.00 N ATOM 1166 CA VAL A 73 -7.105 -0.137 -2.595 1.00 0.00 C ATOM 1167 C VAL A 73 -6.349 -0.064 -1.268 1.00 0.00 C ATOM 1168 O VAL A 73 -5.213 -0.482 -1.158 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.784 -1.502 -2.739 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.746 -2.621 -2.620 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.839 -1.661 -1.645 1.00 0.00 C ATOM 0 H VAL A 73 -5.374 -0.605 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.864 0.645 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.259 -1.564 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.239 -3.587 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.999 -2.509 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.260 -2.564 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.324 -2.632 -1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.362 -1.593 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.585 -0.872 -1.741 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.978 0.479 -0.260 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.313 0.607 1.072 1.00 0.00 C ATOM 1183 C VAL A 74 -6.640 -0.619 1.928 1.00 0.00 C ATOM 1184 O VAL A 74 -7.780 -1.021 2.035 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.826 1.868 1.764 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.252 1.952 3.181 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.391 3.092 0.958 1.00 0.00 C ATOM 0 H VAL A 74 -7.930 0.842 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.233 0.673 0.941 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.914 1.835 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.621 2.853 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.562 1.077 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.164 1.986 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.754 3.997 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.303 3.122 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.806 3.031 -0.048 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.643 -1.219 2.535 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.874 -2.427 3.390 1.00 0.00 C ATOM 1199 C GLY A 75 -5.216 -2.220 4.756 1.00 0.00 C ATOM 1200 O GLY A 75 -4.380 -1.355 4.927 1.00 0.00 O ATOM 0 H GLY A 75 -4.670 -0.920 2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.943 -2.600 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.461 -3.312 2.906 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.585 -3.010 5.730 1.00 0.00 N ATOM 1205 CA GLU A 76 -4.986 -2.873 7.090 1.00 0.00 C ATOM 1206 C GLU A 76 -3.852 -3.887 7.242 1.00 0.00 C ATOM 1207 O GLU A 76 -3.988 -5.040 6.880 1.00 0.00 O ATOM 1208 CB GLU A 76 -6.066 -3.154 8.132 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.102 -2.032 8.091 1.00 0.00 C ATOM 1210 CD GLU A 76 -8.246 -2.352 9.052 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -8.177 -3.381 9.703 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -9.174 -1.563 9.120 1.00 0.00 O ATOM 0 H GLU A 76 -6.281 -3.750 5.640 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.592 -1.866 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.542 -4.114 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.622 -3.220 9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.638 -1.085 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.487 -1.916 7.078 1.00 0.00 H new ATOM 1219 N TYR A 77 -2.732 -3.468 7.776 1.00 0.00 N ATOM 1220 CA TYR A 77 -1.577 -4.402 7.957 1.00 0.00 C ATOM 1221 C TYR A 77 -0.963 -4.199 9.350 1.00 0.00 C ATOM 1222 O TYR A 77 -0.495 -3.129 9.686 1.00 0.00 O ATOM 1223 CB TYR A 77 -0.532 -4.114 6.876 1.00 0.00 C ATOM 1224 CG TYR A 77 0.658 -5.019 7.065 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.598 -6.353 6.644 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.825 -4.525 7.659 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.704 -7.192 6.816 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.931 -5.363 7.833 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.871 -6.696 7.411 1.00 0.00 C ATOM 1230 OH TYR A 77 3.962 -7.522 7.581 1.00 0.00 O ATOM 0 H TYR A 77 -2.567 -2.514 8.096 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.916 -5.434 7.870 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.965 -4.269 5.888 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.220 -3.071 6.928 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.303 -6.734 6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.871 -3.496 7.983 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.658 -8.221 6.490 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.831 -4.982 8.293 1.00 0.00 H new ATOM 0 HH TYR A 77 4.688 -7.021 8.008 1.00 0.00 H new ATOM 1240 N ASN A 78 -0.959 -5.229 10.155 1.00 0.00 N ATOM 1241 CA ASN A 78 -0.376 -5.127 11.527 1.00 0.00 C ATOM 1242 C ASN A 78 -0.970 -3.926 12.274 1.00 0.00 C ATOM 1243 O ASN A 78 -0.259 -3.141 12.869 1.00 0.00 O ATOM 1244 CB ASN A 78 1.147 -4.994 11.443 1.00 0.00 C ATOM 1245 CG ASN A 78 1.750 -5.191 12.835 1.00 0.00 C ATOM 1246 OD1 ASN A 78 2.086 -4.235 13.506 1.00 0.00 O ATOM 1247 ND2 ASN A 78 1.901 -6.401 13.304 1.00 0.00 N ATOM 0 H ASN A 78 -1.338 -6.146 9.919 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.622 -6.035 12.078 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.550 -5.734 10.752 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.417 -4.013 11.053 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.300 -6.542 14.232 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.620 -7.205 12.742 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.273 -3.793 12.251 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.944 -2.659 12.965 1.00 0.00 C ATOM 1256 C ASP A 79 -2.466 -1.318 12.406 1.00 0.00 C ATOM 1257 O ASP A 79 -2.582 -0.296 13.056 1.00 0.00 O ATOM 1258 CB ASP A 79 -2.619 -2.721 14.464 1.00 0.00 C ATOM 1259 CG ASP A 79 -3.544 -1.767 15.227 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -4.580 -1.418 14.687 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -3.199 -1.401 16.340 1.00 0.00 O ATOM 0 H ASP A 79 -2.907 -4.426 11.764 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.020 -2.747 12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.745 -3.739 14.833 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.577 -2.447 14.633 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.921 -1.308 11.215 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.419 -0.030 10.614 1.00 0.00 C ATOM 1268 C ARG A 80 -1.996 0.151 9.214 1.00 0.00 C ATOM 1269 O ARG A 80 -2.365 -0.796 8.545 1.00 0.00 O ATOM 1270 CB ARG A 80 0.112 -0.081 10.531 1.00 0.00 C ATOM 1271 CG ARG A 80 0.721 -0.170 11.939 1.00 0.00 C ATOM 1272 CD ARG A 80 0.784 1.220 12.584 1.00 0.00 C ATOM 1273 NE ARG A 80 1.305 1.098 13.977 1.00 0.00 N ATOM 1274 CZ ARG A 80 0.962 1.969 14.891 1.00 0.00 C ATOM 1275 NH1 ARG A 80 0.177 2.968 14.585 1.00 0.00 N ATOM 1276 NH2 ARG A 80 1.416 1.847 16.107 1.00 0.00 N ATOM 0 H ARG A 80 -1.801 -2.134 10.629 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.730 0.808 11.238 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.422 -0.942 9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.485 0.808 10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.124 -0.839 12.559 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.722 -0.597 11.883 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.429 1.875 11.999 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.207 1.674 12.593 1.00 0.00 H new ATOM 0 HE ARG A 80 1.932 0.331 14.218 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.170 3.070 13.631 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.089 3.645 15.300 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.037 1.074 16.344 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.150 2.525 16.821 1.00 0.00 H new ATOM 1290 N PHE A 81 -2.078 1.373 8.772 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.630 1.646 7.422 1.00 0.00 C ATOM 1292 C PHE A 81 -1.593 1.251 6.371 1.00 0.00 C ATOM 1293 O PHE A 81 -0.417 1.513 6.518 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.934 3.143 7.305 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.102 3.489 8.197 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.409 3.344 7.721 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.877 3.951 9.501 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.494 3.661 8.547 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.963 4.267 10.328 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.271 4.122 9.851 1.00 0.00 C ATOM 0 H PHE A 81 -1.784 2.199 9.293 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.544 1.073 7.266 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.059 3.726 7.591 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.164 3.399 6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.581 2.987 6.716 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.867 4.063 9.868 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.503 3.550 8.179 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.791 4.622 11.333 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.108 4.366 10.488 1.00 0.00 H new ATOM 1310 N GLN A 82 -2.014 0.616 5.311 1.00 0.00 N ATOM 1311 CA GLN A 82 -1.045 0.199 4.253 1.00 0.00 C ATOM 1312 C GLN A 82 -1.748 0.223 2.899 1.00 0.00 C ATOM 1313 O GLN A 82 -2.946 0.036 2.812 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.550 -1.221 4.553 1.00 0.00 C ATOM 1315 CG GLN A 82 0.470 -1.654 3.495 1.00 0.00 C ATOM 1316 CD GLN A 82 0.939 -3.078 3.784 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.150 -4.003 3.785 1.00 0.00 O ATOM 1318 NE2 GLN A 82 2.203 -3.298 4.028 1.00 0.00 N ATOM 0 H GLN A 82 -2.987 0.367 5.130 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.195 0.881 4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.096 -1.255 5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.391 -1.914 4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.023 -1.603 2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.321 -0.973 3.497 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.865 -2.522 4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.528 -4.246 4.219 1.00 0.00 H new ATOM 1327 N VAL A 83 -1.012 0.443 1.836 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.642 0.470 0.477 1.00 0.00 C ATOM 1329 C VAL A 83 -1.334 -0.850 -0.235 1.00 0.00 C ATOM 1330 O VAL A 83 -0.190 -1.231 -0.382 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.058 1.639 -0.333 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.010 2.010 -1.474 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.866 2.846 0.586 1.00 0.00 C ATOM 0 H VAL A 83 -0.005 0.605 1.850 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.720 0.599 0.568 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.097 1.341 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.590 2.839 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.144 1.150 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.975 2.305 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.452 3.676 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.828 3.139 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.181 2.584 1.393 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.348 -1.550 -0.674 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.130 -2.852 -1.376 1.00 0.00 C ATOM 1345 C GLN A 84 -2.358 -2.660 -2.874 1.00 0.00 C ATOM 1346 O GLN A 84 -3.389 -2.175 -3.297 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.125 -3.884 -0.847 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.820 -4.169 0.623 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.830 -5.179 1.166 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -3.681 -5.673 2.267 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -4.857 -5.510 0.435 1.00 0.00 N ATOM 0 H GLN A 84 -3.325 -1.274 -0.576 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.112 -3.198 -1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.144 -3.512 -0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.058 -4.803 -1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.808 -4.559 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.866 -3.246 1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.981 -5.095 -0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.537 -6.184 0.786 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.402 -3.038 -3.677 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.542 -2.889 -5.155 1.00 0.00 C ATOM 1362 C VAL A 85 -1.902 -4.249 -5.752 1.00 0.00 C ATOM 1363 O VAL A 85 -1.280 -5.251 -5.443 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.213 -2.415 -5.733 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.364 -2.188 -7.238 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.198 -1.106 -5.055 1.00 0.00 C ATOM 0 H VAL A 85 -0.520 -3.448 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.321 -2.164 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 85 0.552 -3.171 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.586 -1.849 -7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.657 -3.121 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.128 -1.432 -7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.148 -0.766 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.566 -0.349 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.305 -1.270 -3.983 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.898 -4.293 -6.607 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.322 -5.584 -7.233 1.00 0.00 C ATOM 1378 C ASN A 86 -3.137 -5.512 -8.749 1.00 0.00 C ATOM 1379 O ASN A 86 -2.549 -4.589 -9.277 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.803 -5.819 -6.933 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.000 -6.025 -5.432 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.323 -6.827 -4.824 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -5.910 -5.331 -4.805 1.00 0.00 N ATOM 0 H ASN A 86 -3.440 -3.480 -6.900 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.717 -6.395 -6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.392 -4.967 -7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.160 -6.692 -7.479 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.052 -5.463 -3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.479 -4.657 -5.316 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.646 -6.489 -9.445 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.526 -6.513 -10.928 1.00 0.00 C ATOM 1392 C LYS A 87 -4.321 -5.358 -11.548 1.00 0.00 C ATOM 1393 O LYS A 87 -3.869 -4.705 -12.468 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.077 -7.849 -11.437 1.00 0.00 C ATOM 1395 CG LYS A 87 -3.552 -8.135 -12.847 1.00 0.00 C ATOM 1396 CD LYS A 87 -3.956 -9.553 -13.269 1.00 0.00 C ATOM 1397 CE LYS A 87 -5.475 -9.639 -13.466 1.00 0.00 C ATOM 1398 NZ LYS A 87 -5.801 -10.864 -14.250 1.00 0.00 N ATOM 0 H LYS A 87 -4.146 -7.282 -9.044 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.480 -6.401 -11.212 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.783 -8.653 -10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.167 -7.822 -11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.955 -7.407 -13.551 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.467 -8.033 -12.869 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.447 -9.823 -14.194 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.640 -10.269 -12.510 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.978 -9.667 -12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.837 -8.753 -13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.830 -10.926 -14.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.332 -10.818 -15.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.469 -11.704 -13.735 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.506 -5.114 -11.062 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.338 -4.018 -11.637 1.00 0.00 C ATOM 1414 C ASN A 88 -5.618 -2.680 -11.470 1.00 0.00 C ATOM 1415 O ASN A 88 -6.046 -1.666 -11.986 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.682 -3.967 -10.909 1.00 0.00 C ATOM 1417 CG ASN A 88 -7.441 -4.031 -9.402 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -7.397 -3.016 -8.736 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -7.282 -5.193 -8.831 1.00 0.00 N ATOM 0 H ASN A 88 -5.935 -5.626 -10.291 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.502 -4.208 -12.698 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.213 -3.050 -11.166 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.311 -4.799 -11.224 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.121 -5.249 -7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.319 -6.045 -9.390 1.00 0.00 H new ATOM 1426 N SER A 89 -4.530 -2.669 -10.752 1.00 0.00 N ATOM 1427 CA SER A 89 -3.777 -1.396 -10.551 1.00 0.00 C ATOM 1428 C SER A 89 -2.852 -1.144 -11.744 1.00 0.00 C ATOM 1429 O SER A 89 -2.584 -2.029 -12.531 1.00 0.00 O ATOM 1430 CB SER A 89 -2.942 -1.497 -9.279 1.00 0.00 C ATOM 1431 OG SER A 89 -1.729 -2.176 -9.572 1.00 0.00 O ATOM 0 H SER A 89 -4.128 -3.487 -10.294 1.00 0.00 H new ATOM 0 HA SER A 89 -4.485 -0.572 -10.464 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.731 -0.502 -8.888 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.496 -2.032 -8.507 1.00 0.00 H new ATOM 0 HG SER A 89 -1.920 -3.117 -9.769 1.00 0.00 H new ATOM 1437 N SER A 90 -2.360 0.061 -11.882 1.00 0.00 N ATOM 1438 CA SER A 90 -1.446 0.392 -13.020 1.00 0.00 C ATOM 1439 C SER A 90 -0.277 1.222 -12.490 1.00 0.00 C ATOM 1440 O SER A 90 -0.400 1.899 -11.486 1.00 0.00 O ATOM 1441 CB SER A 90 -2.212 1.199 -14.066 1.00 0.00 C ATOM 1442 OG SER A 90 -1.368 1.435 -15.183 1.00 0.00 O ATOM 0 H SER A 90 -2.554 0.837 -11.250 1.00 0.00 H new ATOM 0 HA SER A 90 -1.071 -0.525 -13.475 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.105 0.658 -14.378 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.545 2.145 -13.640 1.00 0.00 H new ATOM 0 HG SER A 90 -1.856 1.951 -15.858 1.00 0.00 H new ATOM 1448 N ILE A 91 0.852 1.197 -13.158 1.00 0.00 N ATOM 1449 CA ILE A 91 2.027 2.001 -12.702 1.00 0.00 C ATOM 1450 C ILE A 91 2.626 2.737 -13.902 1.00 0.00 C ATOM 1451 O ILE A 91 2.923 2.134 -14.913 1.00 0.00 O ATOM 1452 CB ILE A 91 3.081 1.068 -12.112 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.517 0.409 -10.856 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.332 1.872 -11.755 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.448 -0.713 -10.403 1.00 0.00 C ATOM 0 H ILE A 91 1.009 0.650 -14.005 1.00 0.00 H new ATOM 0 HA ILE A 91 1.709 2.719 -11.946 1.00 0.00 H new ATOM 0 HB ILE A 91 3.344 0.301 -12.840 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.409 1.148 -10.062 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.523 0.011 -11.058 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.085 1.206 -11.334 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.729 2.346 -12.653 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.076 2.638 -11.024 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.043 -1.182 -9.506 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.533 -1.457 -11.195 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.434 -0.302 -10.184 1.00 0.00 H new ATOM 1467 N GLU A 92 2.807 4.033 -13.802 1.00 0.00 N ATOM 1468 CA GLU A 92 3.390 4.810 -14.946 1.00 0.00 C ATOM 1469 C GLU A 92 4.564 5.646 -14.432 1.00 0.00 C ATOM 1470 O GLU A 92 4.461 6.333 -13.435 1.00 0.00 O ATOM 1471 CB GLU A 92 2.327 5.748 -15.523 1.00 0.00 C ATOM 1472 CG GLU A 92 1.094 4.936 -15.908 1.00 0.00 C ATOM 1473 CD GLU A 92 0.044 5.861 -16.524 1.00 0.00 C ATOM 1474 OE1 GLU A 92 0.333 7.036 -16.673 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -1.030 5.377 -16.841 1.00 0.00 O ATOM 0 H GLU A 92 2.576 4.588 -12.978 1.00 0.00 H new ATOM 0 HA GLU A 92 3.729 4.122 -15.720 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.061 6.510 -14.790 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.720 6.269 -16.396 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.367 4.155 -16.618 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.684 4.438 -15.029 1.00 0.00 H new ATOM 1482 N LYS A 93 5.676 5.594 -15.109 1.00 0.00 N ATOM 1483 CA LYS A 93 6.861 6.384 -14.671 1.00 0.00 C ATOM 1484 C LYS A 93 6.698 7.836 -15.115 1.00 0.00 C ATOM 1485 O LYS A 93 6.311 8.110 -16.234 1.00 0.00 O ATOM 1486 CB LYS A 93 8.118 5.794 -15.305 1.00 0.00 C ATOM 1487 CG LYS A 93 8.407 4.435 -14.671 1.00 0.00 C ATOM 1488 CD LYS A 93 9.607 3.790 -15.368 1.00 0.00 C ATOM 1489 CE LYS A 93 9.902 2.429 -14.730 1.00 0.00 C ATOM 1490 NZ LYS A 93 11.044 1.784 -15.440 1.00 0.00 N ATOM 0 H LYS A 93 5.816 5.036 -15.951 1.00 0.00 H new ATOM 0 HA LYS A 93 6.946 6.347 -13.585 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.981 5.685 -16.381 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.964 6.465 -15.158 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.612 4.555 -13.607 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.533 3.789 -14.756 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.400 3.667 -16.431 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.480 4.438 -15.286 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.141 2.555 -13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.020 1.791 -14.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.245 0.860 -15.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.799 1.651 -16.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.886 2.391 -15.367 1.00 0.00 H new ATOM 1504 N LEU A 94 7.000 8.769 -14.249 1.00 0.00 N ATOM 1505 CA LEU A 94 6.878 10.219 -14.613 1.00 0.00 C ATOM 1506 C LEU A 94 8.266 10.795 -14.878 1.00 0.00 C ATOM 1507 O LEU A 94 8.413 11.940 -15.259 1.00 0.00 O ATOM 1508 CB LEU A 94 6.196 10.976 -13.458 1.00 0.00 C ATOM 1509 CG LEU A 94 4.672 10.913 -13.620 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.219 9.457 -13.753 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.003 11.549 -12.399 1.00 0.00 C ATOM 0 H LEU A 94 7.328 8.591 -13.300 1.00 0.00 H new ATOM 0 HA LEU A 94 6.275 10.327 -15.514 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.487 10.539 -12.503 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.527 12.015 -13.447 1.00 0.00 H new ATOM 0 HG LEU A 94 4.385 11.458 -14.519 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.136 9.422 -13.868 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.691 9.007 -14.627 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.507 8.903 -12.860 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.920 11.505 -12.513 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.296 11.006 -11.500 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.316 12.589 -12.313 1.00 0.00 H new ATOM 1523 N SER A 95 9.286 10.013 -14.679 1.00 0.00 N ATOM 1524 CA SER A 95 10.663 10.520 -14.918 1.00 0.00 C ATOM 1525 C SER A 95 10.844 11.866 -14.212 1.00 0.00 C ATOM 1526 O SER A 95 11.837 12.537 -14.403 1.00 0.00 O ATOM 1527 CB SER A 95 10.882 10.704 -16.424 1.00 0.00 C ATOM 1528 OG SER A 95 12.276 10.681 -16.703 1.00 0.00 O ATOM 0 H SER A 95 9.227 9.045 -14.361 1.00 0.00 H new ATOM 0 HA SER A 95 11.386 9.804 -14.526 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.376 9.912 -16.976 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.449 11.649 -16.753 1.00 0.00 H new ATOM 0 HG SER A 95 12.746 11.262 -16.069 1.00 0.00 H new ATOM 1534 N GLU A 96 9.891 12.283 -13.410 1.00 0.00 N ATOM 1535 CA GLU A 96 10.013 13.597 -12.714 1.00 0.00 C ATOM 1536 C GLU A 96 10.389 13.359 -11.237 1.00 0.00 C ATOM 1537 O GLU A 96 9.699 12.643 -10.540 1.00 0.00 O ATOM 1538 CB GLU A 96 8.668 14.324 -12.776 1.00 0.00 C ATOM 1539 CG GLU A 96 8.866 15.766 -12.316 1.00 0.00 C ATOM 1540 CD GLU A 96 7.522 16.490 -12.312 1.00 0.00 C ATOM 1541 OE1 GLU A 96 7.015 16.759 -13.388 1.00 0.00 O ATOM 1542 OE2 GLU A 96 7.024 16.766 -11.233 1.00 0.00 O ATOM 0 H GLU A 96 9.035 11.766 -13.210 1.00 0.00 H new ATOM 0 HA GLU A 96 10.783 14.198 -13.198 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.274 14.303 -13.792 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.938 13.822 -12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.303 15.783 -11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.564 16.277 -12.979 1.00 0.00 H new ATOM 1549 N PRO A 97 11.465 13.945 -10.750 1.00 0.00 N ATOM 1550 CA PRO A 97 11.892 13.764 -9.332 1.00 0.00 C ATOM 1551 C PRO A 97 11.013 14.563 -8.357 1.00 0.00 C ATOM 1552 O PRO A 97 10.623 15.681 -8.629 1.00 0.00 O ATOM 1553 CB PRO A 97 13.343 14.272 -9.326 1.00 0.00 C ATOM 1554 CG PRO A 97 13.403 15.287 -10.423 1.00 0.00 C ATOM 1555 CD PRO A 97 12.385 14.842 -11.480 1.00 0.00 C ATOM 0 HA PRO A 97 11.801 12.730 -9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.602 14.715 -8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 97 14.047 13.458 -9.502 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.162 16.281 -10.046 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.405 15.341 -10.848 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.855 15.694 -11.905 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.871 14.325 -12.307 1.00 0.00 H new ATOM 1563 N ILE A 98 10.713 13.989 -7.217 1.00 0.00 N ATOM 1564 CA ILE A 98 9.871 14.689 -6.195 1.00 0.00 C ATOM 1565 C ILE A 98 10.751 15.069 -5.003 1.00 0.00 C ATOM 1566 O ILE A 98 11.559 14.286 -4.542 1.00 0.00 O ATOM 1567 CB ILE A 98 8.744 13.764 -5.743 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.828 13.497 -6.938 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.948 14.438 -4.626 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.833 12.394 -6.589 1.00 0.00 C ATOM 0 H ILE A 98 11.019 13.054 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 98 9.435 15.591 -6.625 1.00 0.00 H new ATOM 0 HB ILE A 98 9.154 12.826 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.295 14.408 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.421 13.204 -7.804 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.143 13.778 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.607 14.645 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.525 15.373 -4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.182 12.207 -7.443 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.374 11.482 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.231 12.704 -5.735 1.00 0.00 H new ATOM 1582 N GLU A 99 10.611 16.271 -4.502 1.00 0.00 N ATOM 1583 CA GLU A 99 11.447 16.710 -3.346 1.00 0.00 C ATOM 1584 C GLU A 99 10.648 16.561 -2.052 1.00 0.00 C ATOM 1585 O GLU A 99 9.591 17.140 -1.891 1.00 0.00 O ATOM 1586 CB GLU A 99 11.826 18.179 -3.533 1.00 0.00 C ATOM 1587 CG GLU A 99 12.851 18.578 -2.475 1.00 0.00 C ATOM 1588 CD GLU A 99 13.151 20.073 -2.594 1.00 0.00 C ATOM 1589 OE1 GLU A 99 12.207 20.844 -2.638 1.00 0.00 O ATOM 1590 OE2 GLU A 99 14.319 20.422 -2.634 1.00 0.00 O ATOM 0 H GLU A 99 9.951 16.968 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 99 12.346 16.097 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.237 18.336 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.939 18.808 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.469 18.351 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.767 18.001 -2.605 1.00 0.00 H new ATOM 1597 N VAL A 100 11.150 15.791 -1.124 1.00 0.00 N ATOM 1598 CA VAL A 100 10.439 15.593 0.174 1.00 0.00 C ATOM 1599 C VAL A 100 11.065 16.522 1.217 1.00 0.00 C ATOM 1600 O VAL A 100 11.403 16.113 2.310 1.00 0.00 O ATOM 1601 CB VAL A 100 10.602 14.134 0.606 1.00 0.00 C ATOM 1602 CG1 VAL A 100 9.607 13.804 1.721 1.00 0.00 C ATOM 1603 CG2 VAL A 100 10.335 13.228 -0.596 1.00 0.00 C ATOM 0 H VAL A 100 12.032 15.285 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 100 9.378 15.822 0.073 1.00 0.00 H new ATOM 0 HB VAL A 100 11.615 13.976 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.730 12.764 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 100 9.791 14.454 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.591 13.959 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.449 12.186 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.320 13.393 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 100 11.045 13.458 -1.390 1.00 0.00 H new ATOM 1613 N GLY A 101 11.235 17.773 0.874 1.00 0.00 N ATOM 1614 CA GLY A 101 11.850 18.745 1.827 1.00 0.00 C ATOM 1615 C GLY A 101 12.673 19.770 1.043 1.00 0.00 C ATOM 1616 O GLY A 101 12.308 20.180 -0.041 1.00 0.00 O ATOM 0 H GLY A 101 10.973 18.165 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.073 19.249 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.485 18.220 2.540 1.00 0.00 H new ATOM 1620 N LEU A 102 13.783 20.193 1.590 1.00 0.00 N ATOM 1621 CA LEU A 102 14.643 21.197 0.894 1.00 0.00 C ATOM 1622 C LEU A 102 15.844 20.487 0.266 1.00 0.00 C ATOM 1623 O LEU A 102 16.003 20.452 -0.938 1.00 0.00 O ATOM 1624 CB LEU A 102 15.141 22.212 1.924 1.00 0.00 C ATOM 1625 CG LEU A 102 13.942 22.816 2.666 1.00 0.00 C ATOM 1626 CD1 LEU A 102 14.439 23.779 3.750 1.00 0.00 C ATOM 1627 CD2 LEU A 102 13.035 23.567 1.675 1.00 0.00 C ATOM 0 H LEU A 102 14.134 19.883 2.496 1.00 0.00 H new ATOM 0 HA LEU A 102 14.071 21.702 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.814 21.728 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.710 22.999 1.429 1.00 0.00 H new ATOM 0 HG LEU A 102 13.369 22.015 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.585 24.207 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.067 23.238 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.019 24.578 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.186 23.993 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.601 24.367 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.674 22.874 0.915 1.00 0.00 H new ATOM 1639 N GLU A 103 16.696 19.933 1.081 1.00 0.00 N ATOM 1640 CA GLU A 103 17.899 19.233 0.552 1.00 0.00 C ATOM 1641 C GLU A 103 17.505 17.909 -0.106 1.00 0.00 C ATOM 1642 O GLU A 103 16.639 17.198 0.362 1.00 0.00 O ATOM 1643 CB GLU A 103 18.861 18.960 1.707 1.00 0.00 C ATOM 1644 CG GLU A 103 18.140 18.151 2.786 1.00 0.00 C ATOM 1645 CD GLU A 103 19.078 17.932 3.971 1.00 0.00 C ATOM 1646 OE1 GLU A 103 20.244 18.268 3.848 1.00 0.00 O ATOM 1647 OE2 GLU A 103 18.616 17.434 4.984 1.00 0.00 O ATOM 0 H GLU A 103 16.610 19.935 2.097 1.00 0.00 H new ATOM 0 HA GLU A 103 18.378 19.864 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.733 18.413 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.224 19.900 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 103 17.243 18.677 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 103 17.818 17.191 2.382 1.00 0.00 H new ATOM 1654 N HIS A 104 18.156 17.570 -1.189 1.00 0.00 N ATOM 1655 CA HIS A 104 17.857 16.290 -1.894 1.00 0.00 C ATOM 1656 C HIS A 104 19.161 15.751 -2.485 1.00 0.00 C ATOM 1657 O HIS A 104 19.165 14.999 -3.441 1.00 0.00 O ATOM 1658 CB HIS A 104 16.846 16.545 -3.016 1.00 0.00 C ATOM 1659 CG HIS A 104 16.331 15.231 -3.540 1.00 0.00 C ATOM 1660 ND1 HIS A 104 17.009 14.503 -4.506 1.00 0.00 N ATOM 1661 CD2 HIS A 104 15.204 14.503 -3.244 1.00 0.00 C ATOM 1662 CE1 HIS A 104 16.292 13.393 -4.755 1.00 0.00 C ATOM 1663 NE2 HIS A 104 15.182 13.342 -4.013 1.00 0.00 N ATOM 0 H HIS A 104 18.890 18.133 -1.619 1.00 0.00 H new ATOM 0 HA HIS A 104 17.434 15.566 -1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.019 17.149 -2.643 1.00 0.00 H new ATOM 0 HB3 HIS A 104 17.316 17.110 -3.821 1.00 0.00 H new ATOM 0 HD1 HIS A 104 17.891 14.762 -4.947 1.00 0.00 H new ATOM 0 HD2 HIS A 104 14.450 14.788 -2.525 1.00 0.00 H new ATOM 0 HE1 HIS A 104 16.579 12.635 -5.468 1.00 0.00 H new ATOM 1671 N HIS A 105 20.275 16.138 -1.917 1.00 0.00 N ATOM 1672 CA HIS A 105 21.590 15.664 -2.433 1.00 0.00 C ATOM 1673 C HIS A 105 21.667 15.913 -3.941 1.00 0.00 C ATOM 1674 O HIS A 105 21.267 15.088 -4.737 1.00 0.00 O ATOM 1675 CB HIS A 105 21.744 14.168 -2.150 1.00 0.00 C ATOM 1676 CG HIS A 105 21.843 13.943 -0.666 1.00 0.00 C ATOM 1677 ND1 HIS A 105 23.000 14.218 0.047 1.00 0.00 N ATOM 1678 CD2 HIS A 105 20.943 13.463 0.253 1.00 0.00 C ATOM 1679 CE1 HIS A 105 22.768 13.904 1.335 1.00 0.00 C ATOM 1680 NE2 HIS A 105 21.528 13.439 1.516 1.00 0.00 N ATOM 0 H HIS A 105 20.328 16.765 -1.114 1.00 0.00 H new ATOM 0 HA HIS A 105 22.392 16.209 -1.935 1.00 0.00 H new ATOM 0 HB2 HIS A 105 20.892 13.621 -2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 105 22.635 13.783 -2.647 1.00 0.00 H new ATOM 0 HD2 HIS A 105 19.933 13.151 0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.495 14.014 2.126 1.00 0.00 H new ATOM 0 HE2 HIS A 105 21.102 13.133 2.391 1.00 0.00 H new ATOM 1688 N HIS A 106 22.176 17.047 -4.342 1.00 0.00 N ATOM 1689 CA HIS A 106 22.274 17.341 -5.800 1.00 0.00 C ATOM 1690 C HIS A 106 23.376 16.480 -6.422 1.00 0.00 C ATOM 1691 O HIS A 106 24.439 16.310 -5.858 1.00 0.00 O ATOM 1692 CB HIS A 106 22.597 18.820 -6.009 1.00 0.00 C ATOM 1693 CG HIS A 106 22.686 19.103 -7.484 1.00 0.00 C ATOM 1694 ND1 HIS A 106 21.564 19.146 -8.297 1.00 0.00 N ATOM 1695 CD2 HIS A 106 23.755 19.356 -8.307 1.00 0.00 C ATOM 1696 CE1 HIS A 106 21.980 19.414 -9.548 1.00 0.00 C ATOM 1697 NE2 HIS A 106 23.307 19.552 -9.611 1.00 0.00 N ATOM 0 H HIS A 106 22.527 17.780 -3.725 1.00 0.00 H new ATOM 0 HA HIS A 106 21.322 17.112 -6.279 1.00 0.00 H new ATOM 0 HB2 HIS A 106 21.826 19.441 -5.553 1.00 0.00 H new ATOM 0 HB3 HIS A 106 23.539 19.072 -5.521 1.00 0.00 H new ATOM 0 HD2 HIS A 106 24.787 19.397 -7.991 1.00 0.00 H new ATOM 0 HE1 HIS A 106 21.321 19.506 -10.398 1.00 0.00 H new ATOM 0 HE2 HIS A 106 23.871 19.757 -10.436 1.00 0.00 H new ATOM 1705 N HIS A 107 23.126 15.928 -7.580 1.00 0.00 N ATOM 1706 CA HIS A 107 24.148 15.066 -8.248 1.00 0.00 C ATOM 1707 C HIS A 107 24.103 15.300 -9.759 1.00 0.00 C ATOM 1708 O HIS A 107 23.055 15.525 -10.330 1.00 0.00 O ATOM 1709 CB HIS A 107 23.830 13.598 -7.956 1.00 0.00 C ATOM 1710 CG HIS A 107 24.824 12.717 -8.657 1.00 0.00 C ATOM 1711 ND1 HIS A 107 26.147 12.631 -8.256 1.00 0.00 N ATOM 1712 CD2 HIS A 107 24.701 11.872 -9.731 1.00 0.00 C ATOM 1713 CE1 HIS A 107 26.763 11.760 -9.077 1.00 0.00 C ATOM 1714 NE2 HIS A 107 25.926 11.268 -9.995 1.00 0.00 N ATOM 0 H HIS A 107 22.253 16.037 -8.096 1.00 0.00 H new ATOM 0 HA HIS A 107 25.140 15.313 -7.871 1.00 0.00 H new ATOM 0 HB2 HIS A 107 23.861 13.416 -6.882 1.00 0.00 H new ATOM 0 HB3 HIS A 107 22.820 13.361 -8.290 1.00 0.00 H new ATOM 0 HD2 HIS A 107 23.791 11.702 -10.287 1.00 0.00 H new ATOM 0 HE1 HIS A 107 27.806 11.492 -9.003 1.00 0.00 H new ATOM 0 HE2 HIS A 107 26.139 10.595 -10.731 1.00 0.00 H new ATOM 1722 N HIS A 108 25.235 15.246 -10.413 1.00 0.00 N ATOM 1723 CA HIS A 108 25.263 15.461 -11.891 1.00 0.00 C ATOM 1724 C HIS A 108 26.336 14.565 -12.515 1.00 0.00 C ATOM 1725 O HIS A 108 27.415 14.404 -11.979 1.00 0.00 O ATOM 1726 CB HIS A 108 25.582 16.927 -12.187 1.00 0.00 C ATOM 1727 CG HIS A 108 25.416 17.186 -13.659 1.00 0.00 C ATOM 1728 ND1 HIS A 108 24.175 17.179 -14.275 1.00 0.00 N ATOM 1729 CD2 HIS A 108 26.326 17.458 -14.651 1.00 0.00 C ATOM 1730 CE1 HIS A 108 24.368 17.439 -15.581 1.00 0.00 C ATOM 1731 NE2 HIS A 108 25.661 17.618 -15.863 1.00 0.00 N ATOM 0 H HIS A 108 26.143 15.062 -9.986 1.00 0.00 H new ATOM 0 HA HIS A 108 24.291 15.211 -12.315 1.00 0.00 H new ATOM 0 HB2 HIS A 108 24.920 17.577 -11.615 1.00 0.00 H new ATOM 0 HB3 HIS A 108 26.601 17.158 -11.878 1.00 0.00 H new ATOM 0 HD2 HIS A 108 27.394 17.536 -14.512 1.00 0.00 H new ATOM 0 HE1 HIS A 108 23.575 17.496 -16.312 1.00 0.00 H new ATOM 0 HE2 HIS A 108 26.073 17.827 -16.772 1.00 0.00 H new ATOM 1739 N HIS A 109 26.045 13.979 -13.644 1.00 0.00 N ATOM 1740 CA HIS A 109 27.038 13.086 -14.309 1.00 0.00 C ATOM 1741 C HIS A 109 26.780 13.083 -15.817 1.00 0.00 C ATOM 1742 O HIS A 109 27.680 13.451 -16.554 1.00 0.00 O ATOM 1743 CB HIS A 109 26.885 11.665 -13.764 1.00 0.00 C ATOM 1744 CG HIS A 109 27.907 10.763 -14.401 1.00 0.00 C ATOM 1745 ND1 HIS A 109 29.246 10.795 -14.045 1.00 0.00 N ATOM 1746 CD2 HIS A 109 27.800 9.795 -15.368 1.00 0.00 C ATOM 1747 CE1 HIS A 109 29.886 9.871 -14.786 1.00 0.00 C ATOM 1748 NE2 HIS A 109 29.050 9.233 -15.610 1.00 0.00 N ATOM 1749 OXT HIS A 109 25.685 12.714 -16.208 1.00 0.00 O ATOM 0 H HIS A 109 25.158 14.080 -14.137 1.00 0.00 H new ATOM 0 HA HIS A 109 28.048 13.445 -14.111 1.00 0.00 H new ATOM 0 HB2 HIS A 109 27.011 11.665 -12.681 1.00 0.00 H new ATOM 0 HB3 HIS A 109 25.881 11.293 -13.968 1.00 0.00 H new ATOM 0 HD2 HIS A 109 26.884 9.512 -15.866 1.00 0.00 H new ATOM 0 HE1 HIS A 109 30.945 9.670 -14.722 1.00 0.00 H new ATOM 0 HE2 HIS A 109 29.279 8.493 -16.274 1.00 0.00 H new TER 1757 HIS A 109