USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 623 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 11 LYS NZ :NH3+ -128:sc= 0.848 (180deg=1.14) USER MOD Set 1.2: A 46 TYR OH : rot 61:sc= 2.09 USER MOD Set 2.1: A 28 SER OG : rot 101:sc= 0.59 USER MOD Set 2.2: A 44 HIS : no HD1:sc= -0.193 K(o=0.4,f=-2.9) USER MOD Set 3.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 31 SER OG : rot 180:sc= -0.187 USER MOD Single : A 1 GLU N :NH3+ -171:sc= 0.713 (180deg=0.571) USER MOD Single : A 3 MET CE :methyl -168:sc= -0.021 (180deg=-0.213) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -88:sc= 1.3 USER MOD Single : A 10 THR OG1 : rot 85:sc= 0.0193 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 87:sc= 0.0716 USER MOD Single : A 22 GLN : amide:sc= -0.419 K(o=-0.42,f=-8.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 41:sc= 0.346 USER MOD Single : A 41 TYR OH : rot 98:sc= 0.00313 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.162 F(o=-1.7!,f=-0.16) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= 2.41 (180deg=2.14) USER MOD Single : A 67 LYS NZ :NH3+ 155:sc= -0.0213 (180deg=-1.13) USER MOD Single : A 71 HIS : no HD1:sc=-0.00956 X(o=-0.0096,f=-0.32) USER MOD Single : A 72 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.4!) USER MOD Single : A 73 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.6!) USER MOD Single : A 74 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.23) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 17.986 -9.646 -12.202 1.00 0.00 N ATOM 2 CA GLU A 1 18.070 -10.656 -11.158 1.00 0.00 C ATOM 3 C GLU A 1 18.517 -9.991 -9.884 1.00 0.00 C ATOM 4 O GLU A 1 19.174 -8.950 -9.943 1.00 0.00 O ATOM 5 CB GLU A 1 19.056 -11.750 -11.549 1.00 0.00 C ATOM 6 CG GLU A 1 18.676 -12.509 -12.808 1.00 0.00 C ATOM 7 CD GLU A 1 19.717 -13.517 -13.190 1.00 0.00 C ATOM 8 OE1 GLU A 1 19.871 -14.528 -12.480 1.00 0.00 O ATOM 9 OE2 GLU A 1 20.444 -13.293 -14.186 1.00 0.00 O ATOM 0 H1 GLU A 1 17.535 -10.055 -13.045 1.00 0.00 H new ATOM 0 H2 GLU A 1 17.421 -8.842 -11.862 1.00 0.00 H new ATOM 0 H3 GLU A 1 18.942 -9.318 -12.446 1.00 0.00 H new ATOM 0 HA GLU A 1 17.092 -11.117 -11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 1 20.040 -11.303 -11.691 1.00 0.00 H new ATOM 0 HB3 GLU A 1 19.143 -12.457 -10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 1 17.722 -13.013 -12.654 1.00 0.00 H new ATOM 0 HG3 GLU A 1 18.535 -11.805 -13.628 1.00 0.00 H new ATOM 18 N ASP A 2 18.135 -10.589 -8.749 1.00 0.00 N ATOM 19 CA ASP A 2 18.421 -10.095 -7.379 1.00 0.00 C ATOM 20 C ASP A 2 18.166 -8.601 -7.295 1.00 0.00 C ATOM 21 O ASP A 2 19.085 -7.777 -7.197 1.00 0.00 O ATOM 22 CB ASP A 2 19.833 -10.452 -6.910 1.00 0.00 C ATOM 23 CG ASP A 2 19.967 -10.375 -5.402 1.00 0.00 C ATOM 24 OD1 ASP A 2 19.608 -11.374 -4.712 1.00 0.00 O ATOM 25 OD2 ASP A 2 20.430 -9.361 -4.876 1.00 0.00 O ATOM 0 H ASP A 2 17.601 -11.458 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 2 17.738 -10.603 -6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.083 -11.459 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.551 -9.775 -7.373 1.00 0.00 H new ATOM 30 N MET A 3 16.920 -8.256 -7.411 1.00 0.00 N ATOM 31 CA MET A 3 16.510 -6.878 -7.551 1.00 0.00 C ATOM 32 C MET A 3 15.091 -6.735 -7.069 1.00 0.00 C ATOM 33 O MET A 3 14.547 -7.660 -6.469 1.00 0.00 O ATOM 34 CB MET A 3 16.572 -6.513 -9.049 1.00 0.00 C ATOM 35 CG MET A 3 15.681 -7.389 -9.935 1.00 0.00 C ATOM 36 SD MET A 3 15.885 -7.076 -11.700 1.00 0.00 S ATOM 37 CE MET A 3 15.315 -5.375 -11.824 1.00 0.00 C ATOM 0 H MET A 3 16.148 -8.922 -7.412 1.00 0.00 H new ATOM 0 HA MET A 3 17.160 -6.224 -6.969 1.00 0.00 H new ATOM 0 HB2 MET A 3 16.278 -5.471 -9.172 1.00 0.00 H new ATOM 0 HB3 MET A 3 17.603 -6.596 -9.392 1.00 0.00 H new ATOM 0 HG2 MET A 3 15.901 -8.437 -9.733 1.00 0.00 H new ATOM 0 HG3 MET A 3 14.638 -7.224 -9.663 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.180 -5.112 -12.873 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.366 -5.270 -11.299 1.00 0.00 H new ATOM 0 HE3 MET A 3 16.053 -4.710 -11.375 1.00 0.00 H new ATOM 47 N GLU A 4 14.503 -5.599 -7.327 1.00 0.00 N ATOM 48 CA GLU A 4 13.113 -5.377 -7.046 1.00 0.00 C ATOM 49 C GLU A 4 12.350 -5.477 -8.362 1.00 0.00 C ATOM 50 O GLU A 4 12.416 -4.556 -9.187 1.00 0.00 O ATOM 51 CB GLU A 4 12.913 -4.006 -6.409 1.00 0.00 C ATOM 52 CG GLU A 4 13.568 -3.865 -5.053 1.00 0.00 C ATOM 53 CD GLU A 4 13.420 -2.484 -4.489 1.00 0.00 C ATOM 54 OE1 GLU A 4 12.374 -2.182 -3.878 1.00 0.00 O ATOM 55 OE2 GLU A 4 14.360 -1.669 -4.641 1.00 0.00 O ATOM 0 H GLU A 4 14.979 -4.797 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 4 12.743 -6.122 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.313 -3.243 -7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.845 -3.814 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.128 -4.585 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.627 -4.109 -5.137 1.00 0.00 H new ATOM 62 N PRO A 5 11.701 -6.623 -8.630 1.00 0.00 N ATOM 63 CA PRO A 5 10.953 -6.833 -9.866 1.00 0.00 C ATOM 64 C PRO A 5 9.697 -5.980 -9.890 1.00 0.00 C ATOM 65 O PRO A 5 8.744 -6.248 -9.133 1.00 0.00 O ATOM 66 CB PRO A 5 10.582 -8.329 -9.827 1.00 0.00 C ATOM 67 CG PRO A 5 11.433 -8.905 -8.750 1.00 0.00 C ATOM 68 CD PRO A 5 11.630 -7.801 -7.763 1.00 0.00 C ATOM 0 HA PRO A 5 11.527 -6.559 -10.751 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.523 -8.468 -9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.778 -8.810 -10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.950 -9.765 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.387 -9.251 -9.147 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.805 -7.736 -7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.541 -7.933 -7.180 1.00 0.00 H new ATOM 76 N CYS A 6 9.716 -4.938 -10.725 1.00 0.00 N ATOM 77 CA CYS A 6 8.618 -3.980 -10.860 1.00 0.00 C ATOM 78 C CYS A 6 8.431 -3.177 -9.550 1.00 0.00 C ATOM 79 O CYS A 6 9.258 -3.263 -8.620 1.00 0.00 O ATOM 80 CB CYS A 6 7.311 -4.713 -11.244 1.00 0.00 C ATOM 81 SG CYS A 6 7.447 -5.766 -12.711 1.00 0.00 S ATOM 0 H CYS A 6 10.507 -4.734 -11.335 1.00 0.00 H new ATOM 0 HA CYS A 6 8.866 -3.277 -11.656 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.991 -5.325 -10.401 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.530 -3.972 -11.415 1.00 0.00 H new ATOM 0 HG CYS A 6 6.301 -6.334 -12.945 1.00 0.00 H new ATOM 87 N LEU A 7 7.399 -2.353 -9.501 1.00 0.00 N ATOM 88 CA LEU A 7 7.042 -1.642 -8.268 1.00 0.00 C ATOM 89 C LEU A 7 6.265 -2.577 -7.340 1.00 0.00 C ATOM 90 O LEU A 7 6.088 -2.326 -6.143 1.00 0.00 O ATOM 91 CB LEU A 7 6.288 -0.275 -8.538 1.00 0.00 C ATOM 92 CG LEU A 7 4.934 -0.215 -9.360 1.00 0.00 C ATOM 93 CD1 LEU A 7 5.056 -0.717 -10.788 1.00 0.00 C ATOM 94 CD2 LEU A 7 3.778 -0.899 -8.646 1.00 0.00 C ATOM 0 H LEU A 7 6.790 -2.154 -10.294 1.00 0.00 H new ATOM 0 HA LEU A 7 7.964 -1.352 -7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.085 0.171 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.995 0.380 -9.047 1.00 0.00 H new ATOM 0 HG LEU A 7 4.707 0.849 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.088 -0.644 -11.283 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.786 -0.111 -11.326 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.382 -1.757 -10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.878 -0.825 -9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.021 -1.949 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.605 -0.413 -7.686 1.00 0.00 H new ATOM 106 N THR A 8 5.817 -3.651 -7.931 1.00 0.00 N ATOM 107 CA THR A 8 5.109 -4.701 -7.294 1.00 0.00 C ATOM 108 C THR A 8 6.017 -5.385 -6.252 1.00 0.00 C ATOM 109 O THR A 8 7.051 -5.968 -6.603 1.00 0.00 O ATOM 110 CB THR A 8 4.744 -5.703 -8.385 1.00 0.00 C ATOM 111 OG1 THR A 8 4.162 -4.978 -9.494 1.00 0.00 O ATOM 112 CG2 THR A 8 3.761 -6.744 -7.882 1.00 0.00 C ATOM 0 H THR A 8 5.950 -3.815 -8.929 1.00 0.00 H new ATOM 0 HA THR A 8 4.222 -4.325 -6.783 1.00 0.00 H new ATOM 0 HB THR A 8 5.647 -6.228 -8.697 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.195 -4.894 -9.358 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.525 -7.440 -8.687 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.204 -7.290 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.848 -6.251 -7.549 1.00 0.00 H new ATOM 120 N GLY A 9 5.657 -5.289 -4.996 1.00 0.00 N ATOM 121 CA GLY A 9 6.468 -5.904 -3.971 1.00 0.00 C ATOM 122 C GLY A 9 6.901 -4.933 -2.902 1.00 0.00 C ATOM 123 O GLY A 9 7.315 -5.347 -1.813 1.00 0.00 O ATOM 0 H GLY A 9 4.826 -4.802 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.907 -6.717 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.351 -6.347 -4.431 1.00 0.00 H new ATOM 127 N THR A 10 6.834 -3.656 -3.192 1.00 0.00 N ATOM 128 CA THR A 10 7.172 -2.656 -2.206 1.00 0.00 C ATOM 129 C THR A 10 6.045 -2.590 -1.176 1.00 0.00 C ATOM 130 O THR A 10 4.857 -2.525 -1.549 1.00 0.00 O ATOM 131 CB THR A 10 7.350 -1.280 -2.872 1.00 0.00 C ATOM 132 OG1 THR A 10 8.304 -1.390 -3.943 1.00 0.00 O ATOM 133 CG2 THR A 10 7.838 -0.238 -1.872 1.00 0.00 C ATOM 0 H THR A 10 6.550 -3.285 -4.099 1.00 0.00 H new ATOM 0 HA THR A 10 8.111 -2.925 -1.722 1.00 0.00 H new ATOM 0 HB THR A 10 6.382 -0.960 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.849 -1.693 -4.756 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.953 0.722 -2.374 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.112 -0.140 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.798 -0.550 -1.461 1.00 0.00 H new ATOM 141 N LYS A 11 6.388 -2.664 0.088 1.00 0.00 N ATOM 142 CA LYS A 11 5.387 -2.608 1.112 1.00 0.00 C ATOM 143 C LYS A 11 5.259 -1.198 1.597 1.00 0.00 C ATOM 144 O LYS A 11 6.240 -0.464 1.652 1.00 0.00 O ATOM 145 CB LYS A 11 5.625 -3.634 2.279 1.00 0.00 C ATOM 146 CG LYS A 11 6.731 -3.338 3.334 1.00 0.00 C ATOM 147 CD LYS A 11 6.321 -2.228 4.320 1.00 0.00 C ATOM 148 CE LYS A 11 7.326 -2.039 5.439 1.00 0.00 C ATOM 149 NZ LYS A 11 7.329 -3.179 6.378 1.00 0.00 N ATOM 0 H LYS A 11 7.346 -2.762 0.425 1.00 0.00 H new ATOM 0 HA LYS A 11 4.438 -2.919 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.682 -3.747 2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.852 -4.599 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.953 -4.249 3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.648 -3.045 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.207 -1.290 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.348 -2.469 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.322 -1.916 5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.096 -1.122 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.220 -2.828 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.541 -3.818 6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.228 -3.695 6.295 1.00 0.00 H new ATOM 163 N VAL A 12 4.072 -0.823 1.912 1.00 0.00 N ATOM 164 CA VAL A 12 3.770 0.486 2.406 1.00 0.00 C ATOM 165 C VAL A 12 2.765 0.361 3.529 1.00 0.00 C ATOM 166 O VAL A 12 2.327 -0.751 3.866 1.00 0.00 O ATOM 167 CB VAL A 12 3.141 1.369 1.296 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.115 1.607 0.156 1.00 0.00 C ATOM 169 CG2 VAL A 12 1.857 0.729 0.773 1.00 0.00 C ATOM 0 H VAL A 12 3.256 -1.430 1.834 1.00 0.00 H new ATOM 0 HA VAL A 12 4.696 0.948 2.749 1.00 0.00 H new ATOM 0 HB VAL A 12 2.901 2.337 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.641 2.229 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.003 2.112 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.401 0.652 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.427 1.360 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.083 -0.254 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.144 0.624 1.590 1.00 0.00 H new ATOM 179 N LYS A 13 2.396 1.467 4.089 1.00 0.00 N ATOM 180 CA LYS A 13 1.349 1.499 5.058 1.00 0.00 C ATOM 181 C LYS A 13 0.187 2.139 4.403 1.00 0.00 C ATOM 182 O LYS A 13 0.336 3.139 3.705 1.00 0.00 O ATOM 183 CB LYS A 13 1.743 2.282 6.296 1.00 0.00 C ATOM 184 CG LYS A 13 2.863 1.655 7.067 1.00 0.00 C ATOM 185 CD LYS A 13 2.380 0.725 8.160 1.00 0.00 C ATOM 186 CE LYS A 13 1.817 1.491 9.338 1.00 0.00 C ATOM 187 NZ LYS A 13 1.372 0.597 10.419 1.00 0.00 N ATOM 0 H LYS A 13 2.813 2.376 3.887 1.00 0.00 H new ATOM 0 HA LYS A 13 1.122 0.487 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.035 3.290 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.874 2.379 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.503 1.100 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.476 2.440 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.615 0.059 7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.206 0.097 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.575 2.173 9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.978 2.102 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.994 1.164 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.630 -0.038 10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.178 0.032 10.756 1.00 0.00 H new ATOM 201 N VAL A 14 -0.924 1.561 4.577 1.00 0.00 N ATOM 202 CA VAL A 14 -2.113 2.016 3.965 1.00 0.00 C ATOM 203 C VAL A 14 -3.071 2.472 5.030 1.00 0.00 C ATOM 204 O VAL A 14 -3.337 1.755 5.974 1.00 0.00 O ATOM 205 CB VAL A 14 -2.753 0.886 3.113 1.00 0.00 C ATOM 206 CG1 VAL A 14 -4.080 1.316 2.533 1.00 0.00 C ATOM 207 CG2 VAL A 14 -1.811 0.469 1.994 1.00 0.00 C ATOM 0 H VAL A 14 -1.046 0.735 5.163 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.881 2.850 3.302 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.929 0.035 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.500 0.502 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.766 1.569 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.933 2.188 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.273 -0.324 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.607 1.326 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.877 0.105 2.422 1.00 0.00 H new ATOM 217 N LYS A 15 -3.557 3.640 4.877 1.00 0.00 N ATOM 218 CA LYS A 15 -4.529 4.196 5.752 1.00 0.00 C ATOM 219 C LYS A 15 -5.811 4.177 4.974 1.00 0.00 C ATOM 220 O LYS A 15 -5.983 4.968 4.068 1.00 0.00 O ATOM 221 CB LYS A 15 -4.153 5.651 6.051 1.00 0.00 C ATOM 222 CG LYS A 15 -5.062 6.351 7.033 1.00 0.00 C ATOM 223 CD LYS A 15 -4.688 7.811 7.148 1.00 0.00 C ATOM 224 CE LYS A 15 -5.659 8.564 8.023 1.00 0.00 C ATOM 225 NZ LYS A 15 -5.359 10.009 8.086 1.00 0.00 N ATOM 0 H LYS A 15 -3.285 4.263 4.116 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.604 3.650 6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.135 5.676 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.152 6.211 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.098 6.259 6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.990 5.873 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.683 7.899 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.666 8.261 6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.671 8.422 7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.635 8.147 9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.054 10.481 8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.404 10.149 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.408 10.416 7.130 1.00 0.00 H new ATOM 239 N TYR A 16 -6.680 3.269 5.282 1.00 0.00 N ATOM 240 CA TYR A 16 -7.874 3.100 4.503 1.00 0.00 C ATOM 241 C TYR A 16 -9.043 2.733 5.393 1.00 0.00 C ATOM 242 O TYR A 16 -9.013 1.730 6.116 1.00 0.00 O ATOM 243 CB TYR A 16 -7.643 2.035 3.418 1.00 0.00 C ATOM 244 CG TYR A 16 -8.786 1.856 2.438 1.00 0.00 C ATOM 245 CD1 TYR A 16 -8.882 2.643 1.290 1.00 0.00 C ATOM 246 CD2 TYR A 16 -9.752 0.889 2.645 1.00 0.00 C ATOM 247 CE1 TYR A 16 -9.915 2.466 0.387 1.00 0.00 C ATOM 248 CE2 TYR A 16 -10.780 0.711 1.754 1.00 0.00 C ATOM 249 CZ TYR A 16 -10.862 1.498 0.630 1.00 0.00 C ATOM 250 OH TYR A 16 -11.897 1.306 -0.258 1.00 0.00 O ATOM 0 H TYR A 16 -6.589 2.628 6.070 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.116 4.043 4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.744 2.297 2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.449 1.079 3.905 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.138 3.403 1.103 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.696 0.263 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.977 3.081 -0.499 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.526 -0.049 1.936 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.475 0.583 0.064 1.00 0.00 H new ATOM 260 N GLY A 17 -10.019 3.573 5.381 1.00 0.00 N ATOM 261 CA GLY A 17 -11.220 3.365 6.106 1.00 0.00 C ATOM 262 C GLY A 17 -12.136 4.526 5.892 1.00 0.00 C ATOM 263 O GLY A 17 -11.669 5.635 5.594 1.00 0.00 O ATOM 0 H GLY A 17 -10.002 4.445 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.701 2.443 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.002 3.251 7.168 1.00 0.00 H new ATOM 267 N ARG A 18 -13.406 4.306 6.014 1.00 0.00 N ATOM 268 CA ARG A 18 -14.370 5.367 5.819 1.00 0.00 C ATOM 269 C ARG A 18 -14.726 6.063 7.126 1.00 0.00 C ATOM 270 O ARG A 18 -15.237 5.442 8.063 1.00 0.00 O ATOM 271 CB ARG A 18 -15.618 4.865 5.072 1.00 0.00 C ATOM 272 CG ARG A 18 -16.238 3.602 5.645 1.00 0.00 C ATOM 273 CD ARG A 18 -17.446 3.172 4.841 1.00 0.00 C ATOM 274 NE ARG A 18 -17.931 1.847 5.245 1.00 0.00 N ATOM 275 CZ ARG A 18 -18.965 1.205 4.687 1.00 0.00 C ATOM 276 NH1 ARG A 18 -19.729 1.814 3.782 1.00 0.00 N ATOM 277 NH2 ARG A 18 -19.236 -0.039 5.047 1.00 0.00 N ATOM 0 H ARG A 18 -13.812 3.400 6.249 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.898 6.119 5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.369 5.655 5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.352 4.682 4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.498 2.801 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.530 3.775 6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -18.244 3.904 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.190 3.157 3.782 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.443 1.380 6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -19.528 2.776 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -20.515 1.318 3.361 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.658 -0.505 5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.023 -0.532 4.625 1.00 0.00 H new ATOM 291 N GLY A 19 -14.400 7.333 7.195 1.00 0.00 N ATOM 292 CA GLY A 19 -14.718 8.148 8.339 1.00 0.00 C ATOM 293 C GLY A 19 -13.937 7.759 9.569 1.00 0.00 C ATOM 294 O GLY A 19 -12.721 7.947 9.635 1.00 0.00 O ATOM 0 H GLY A 19 -13.905 7.830 6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.517 9.193 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.784 8.068 8.551 1.00 0.00 H new ATOM 298 N LYS A 20 -14.627 7.177 10.522 1.00 0.00 N ATOM 299 CA LYS A 20 -14.033 6.774 11.780 1.00 0.00 C ATOM 300 C LYS A 20 -13.575 5.312 11.677 1.00 0.00 C ATOM 301 O LYS A 20 -12.893 4.782 12.554 1.00 0.00 O ATOM 302 CB LYS A 20 -15.052 6.967 12.914 1.00 0.00 C ATOM 303 CG LYS A 20 -14.509 6.767 14.326 1.00 0.00 C ATOM 304 CD LYS A 20 -13.439 7.787 14.671 1.00 0.00 C ATOM 305 CE LYS A 20 -12.983 7.625 16.106 1.00 0.00 C ATOM 306 NZ LYS A 20 -11.983 8.639 16.489 1.00 0.00 N ATOM 0 H LYS A 20 -15.623 6.968 10.448 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.162 7.390 12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.464 7.973 12.841 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.878 6.272 12.759 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.326 6.842 15.043 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.096 5.762 14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.589 7.670 13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.828 8.794 14.520 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.844 7.697 16.770 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.559 6.630 16.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.699 8.490 17.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.149 8.554 15.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.394 9.589 16.386 1.00 0.00 H new ATOM 320 N THR A 21 -13.916 4.687 10.561 1.00 0.00 N ATOM 321 CA THR A 21 -13.554 3.299 10.278 1.00 0.00 C ATOM 322 C THR A 21 -12.133 3.282 9.627 1.00 0.00 C ATOM 323 O THR A 21 -11.733 2.340 8.954 1.00 0.00 O ATOM 324 CB THR A 21 -14.617 2.706 9.302 1.00 0.00 C ATOM 325 OG1 THR A 21 -15.933 3.053 9.785 1.00 0.00 O ATOM 326 CG2 THR A 21 -14.536 1.190 9.218 1.00 0.00 C ATOM 0 H THR A 21 -14.456 5.129 9.817 1.00 0.00 H new ATOM 0 HA THR A 21 -13.533 2.700 11.188 1.00 0.00 H new ATOM 0 HB THR A 21 -14.424 3.118 8.312 1.00 0.00 H new ATOM 0 HG1 THR A 21 -16.187 3.933 9.437 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.295 0.823 8.527 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.548 0.898 8.861 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.707 0.761 10.205 1.00 0.00 H new ATOM 334 N GLN A 22 -11.387 4.338 9.895 1.00 0.00 N ATOM 335 CA GLN A 22 -10.067 4.572 9.356 1.00 0.00 C ATOM 336 C GLN A 22 -9.068 3.594 9.972 1.00 0.00 C ATOM 337 O GLN A 22 -8.732 3.699 11.153 1.00 0.00 O ATOM 338 CB GLN A 22 -9.669 6.002 9.705 1.00 0.00 C ATOM 339 CG GLN A 22 -8.434 6.514 9.008 1.00 0.00 C ATOM 340 CD GLN A 22 -8.632 6.655 7.516 1.00 0.00 C ATOM 341 OE1 GLN A 22 -8.349 5.745 6.745 1.00 0.00 O ATOM 342 NE2 GLN A 22 -9.149 7.782 7.105 1.00 0.00 N ATOM 0 H GLN A 22 -11.699 5.083 10.518 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.068 4.426 8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.502 6.663 9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.512 6.066 10.782 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.157 7.481 9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.604 5.834 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.371 8.516 7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.330 7.928 6.112 1.00 0.00 H new ATOM 351 N LYS A 23 -8.625 2.642 9.195 1.00 0.00 N ATOM 352 CA LYS A 23 -7.693 1.641 9.666 1.00 0.00 C ATOM 353 C LYS A 23 -6.370 1.797 8.951 1.00 0.00 C ATOM 354 O LYS A 23 -6.338 2.215 7.798 1.00 0.00 O ATOM 355 CB LYS A 23 -8.238 0.231 9.407 1.00 0.00 C ATOM 356 CG LYS A 23 -9.541 -0.121 10.115 1.00 0.00 C ATOM 357 CD LYS A 23 -9.394 -0.126 11.637 1.00 0.00 C ATOM 358 CE LYS A 23 -8.436 -1.218 12.120 1.00 0.00 C ATOM 359 NZ LYS A 23 -8.227 -1.160 13.580 1.00 0.00 N ATOM 0 H LYS A 23 -8.897 2.535 8.218 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.555 1.779 10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.387 0.112 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.478 -0.491 9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.312 0.595 9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.879 -1.102 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.031 0.847 11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.372 -0.274 12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.834 -2.196 11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.478 -1.111 11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.572 -1.915 13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.824 -0.236 13.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.137 -1.287 14.066 1.00 0.00 H new ATOM 373 N ILE A 24 -5.291 1.491 9.628 1.00 0.00 N ATOM 374 CA ILE A 24 -3.980 1.546 9.017 1.00 0.00 C ATOM 375 C ILE A 24 -3.437 0.117 8.923 1.00 0.00 C ATOM 376 O ILE A 24 -3.485 -0.633 9.891 1.00 0.00 O ATOM 377 CB ILE A 24 -2.950 2.494 9.764 1.00 0.00 C ATOM 378 CG1 ILE A 24 -3.421 3.981 9.819 1.00 0.00 C ATOM 379 CG2 ILE A 24 -1.575 2.434 9.093 1.00 0.00 C ATOM 380 CD1 ILE A 24 -4.584 4.281 10.759 1.00 0.00 C ATOM 0 H ILE A 24 -5.292 1.200 10.606 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.096 1.990 8.028 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.888 2.124 10.787 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.573 4.599 10.114 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.705 4.289 8.813 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.884 3.091 9.621 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.199 1.411 9.124 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.662 2.757 8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.824 5.343 10.714 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.455 3.700 10.457 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.306 4.015 11.779 1.00 0.00 H new ATOM 392 N TYR A 25 -2.977 -0.250 7.758 1.00 0.00 N ATOM 393 CA TYR A 25 -2.501 -1.591 7.451 1.00 0.00 C ATOM 394 C TYR A 25 -1.130 -1.505 6.803 1.00 0.00 C ATOM 395 O TYR A 25 -0.704 -0.430 6.398 1.00 0.00 O ATOM 396 CB TYR A 25 -3.416 -2.254 6.404 1.00 0.00 C ATOM 397 CG TYR A 25 -4.889 -2.334 6.729 1.00 0.00 C ATOM 398 CD1 TYR A 25 -5.755 -1.302 6.382 1.00 0.00 C ATOM 399 CD2 TYR A 25 -5.423 -3.454 7.339 1.00 0.00 C ATOM 400 CE1 TYR A 25 -7.103 -1.390 6.638 1.00 0.00 C ATOM 401 CE2 TYR A 25 -6.769 -3.546 7.605 1.00 0.00 C ATOM 402 CZ TYR A 25 -7.605 -2.513 7.252 1.00 0.00 C ATOM 403 OH TYR A 25 -8.964 -2.605 7.501 1.00 0.00 O ATOM 0 H TYR A 25 -2.917 0.388 6.965 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.482 -2.159 8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.306 -1.710 5.466 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.053 -3.267 6.230 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.362 -0.417 5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.771 -4.271 7.611 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.763 -0.582 6.359 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.168 -4.425 8.089 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.159 -3.460 7.939 1.00 0.00 H new ATOM 413 N GLU A 26 -0.454 -2.622 6.714 1.00 0.00 N ATOM 414 CA GLU A 26 0.743 -2.740 5.915 1.00 0.00 C ATOM 415 C GLU A 26 0.372 -3.578 4.706 1.00 0.00 C ATOM 416 O GLU A 26 -0.173 -4.690 4.849 1.00 0.00 O ATOM 417 CB GLU A 26 1.876 -3.444 6.659 1.00 0.00 C ATOM 418 CG GLU A 26 2.540 -2.622 7.723 1.00 0.00 C ATOM 419 CD GLU A 26 3.750 -3.303 8.290 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.829 -3.258 7.644 1.00 0.00 O ATOM 421 OE2 GLU A 26 3.668 -3.871 9.402 1.00 0.00 O ATOM 0 H GLU A 26 -0.719 -3.481 7.196 1.00 0.00 H new ATOM 0 HA GLU A 26 1.098 -1.743 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.482 -4.352 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.630 -3.752 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.829 -1.657 7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.828 -2.423 8.524 1.00 0.00 H new ATOM 428 N ALA A 27 0.626 -3.074 3.548 1.00 0.00 N ATOM 429 CA ALA A 27 0.254 -3.758 2.339 1.00 0.00 C ATOM 430 C ALA A 27 1.332 -3.588 1.313 1.00 0.00 C ATOM 431 O ALA A 27 2.097 -2.641 1.383 1.00 0.00 O ATOM 432 CB ALA A 27 -1.064 -3.207 1.815 1.00 0.00 C ATOM 0 H ALA A 27 1.095 -2.180 3.403 1.00 0.00 H new ATOM 0 HA ALA A 27 0.129 -4.820 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.339 -3.730 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.843 -3.353 2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.956 -2.143 1.606 1.00 0.00 H new ATOM 438 N SER A 28 1.415 -4.491 0.395 1.00 0.00 N ATOM 439 CA SER A 28 2.368 -4.388 -0.653 1.00 0.00 C ATOM 440 C SER A 28 1.678 -3.964 -1.931 1.00 0.00 C ATOM 441 O SER A 28 0.511 -4.340 -2.179 1.00 0.00 O ATOM 442 CB SER A 28 3.166 -5.692 -0.797 1.00 0.00 C ATOM 443 OG SER A 28 2.315 -6.835 -0.760 1.00 0.00 O ATOM 0 H SER A 28 0.823 -5.321 0.352 1.00 0.00 H new ATOM 0 HA SER A 28 3.099 -3.616 -0.412 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.718 -5.679 -1.737 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.902 -5.759 0.004 1.00 0.00 H new ATOM 0 HG SER A 28 2.161 -7.157 -1.672 1.00 0.00 H new ATOM 449 N ILE A 29 2.342 -3.143 -2.699 1.00 0.00 N ATOM 450 CA ILE A 29 1.791 -2.649 -3.929 1.00 0.00 C ATOM 451 C ILE A 29 1.810 -3.760 -4.963 1.00 0.00 C ATOM 452 O ILE A 29 2.833 -4.433 -5.140 1.00 0.00 O ATOM 453 CB ILE A 29 2.594 -1.435 -4.477 1.00 0.00 C ATOM 454 CG1 ILE A 29 2.815 -0.372 -3.387 1.00 0.00 C ATOM 455 CG2 ILE A 29 1.867 -0.815 -5.667 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.541 0.173 -2.778 1.00 0.00 C ATOM 0 H ILE A 29 3.279 -2.799 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 29 0.771 -2.319 -3.732 1.00 0.00 H new ATOM 0 HB ILE A 29 3.569 -1.799 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.427 -0.803 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.383 0.455 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.440 0.034 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.762 -1.559 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.879 -0.477 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.789 0.916 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.935 0.637 -3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.980 -0.641 -2.319 1.00 0.00 H new ATOM 468 N LYS A 30 0.685 -3.984 -5.595 1.00 0.00 N ATOM 469 CA LYS A 30 0.589 -4.973 -6.628 1.00 0.00 C ATOM 470 C LYS A 30 0.706 -4.249 -7.977 1.00 0.00 C ATOM 471 O LYS A 30 1.566 -4.565 -8.796 1.00 0.00 O ATOM 472 CB LYS A 30 -0.752 -5.771 -6.491 1.00 0.00 C ATOM 473 CG LYS A 30 -0.882 -7.059 -7.349 1.00 0.00 C ATOM 474 CD LYS A 30 -0.973 -6.768 -8.838 1.00 0.00 C ATOM 475 CE LYS A 30 -1.025 -8.023 -9.686 1.00 0.00 C ATOM 476 NZ LYS A 30 -1.061 -7.690 -11.131 1.00 0.00 N ATOM 0 H LYS A 30 -0.185 -3.486 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 30 1.391 -5.707 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.881 -6.044 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.574 -5.104 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.023 -7.703 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.769 -7.610 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.863 -6.169 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.113 -6.169 -9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.155 -8.645 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.906 -8.608 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.096 -8.567 -11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.904 -7.116 -11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.208 -7.153 -11.385 1.00 0.00 H new ATOM 490 N SER A 31 -0.138 -3.267 -8.187 1.00 0.00 N ATOM 491 CA SER A 31 -0.152 -2.487 -9.417 1.00 0.00 C ATOM 492 C SER A 31 -0.756 -1.120 -9.134 1.00 0.00 C ATOM 493 O SER A 31 -1.121 -0.831 -7.986 1.00 0.00 O ATOM 494 CB SER A 31 -0.958 -3.210 -10.514 1.00 0.00 C ATOM 495 OG SER A 31 -0.366 -4.464 -10.854 1.00 0.00 O ATOM 0 H SER A 31 -0.843 -2.979 -7.508 1.00 0.00 H new ATOM 0 HA SER A 31 0.871 -2.368 -9.775 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.980 -3.370 -10.171 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.014 -2.580 -11.402 1.00 0.00 H new ATOM 0 HG SER A 31 -0.900 -4.900 -11.551 1.00 0.00 H new ATOM 501 N THR A 32 -0.846 -0.288 -10.140 1.00 0.00 N ATOM 502 CA THR A 32 -1.423 1.014 -9.991 1.00 0.00 C ATOM 503 C THR A 32 -1.878 1.535 -11.338 1.00 0.00 C ATOM 504 O THR A 32 -1.510 0.990 -12.385 1.00 0.00 O ATOM 505 CB THR A 32 -0.409 2.014 -9.351 1.00 0.00 C ATOM 506 OG1 THR A 32 -0.977 3.299 -9.174 1.00 0.00 O ATOM 507 CG2 THR A 32 0.864 2.122 -10.157 1.00 0.00 C ATOM 0 H THR A 32 -0.520 -0.498 -11.083 1.00 0.00 H new ATOM 0 HA THR A 32 -2.281 0.928 -9.325 1.00 0.00 H new ATOM 0 HB THR A 32 -0.160 1.608 -8.370 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.897 3.208 -8.849 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.541 2.828 -9.676 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.342 1.144 -10.216 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.630 2.472 -11.162 1.00 0.00 H new ATOM 515 N GLU A 33 -2.675 2.551 -11.287 1.00 0.00 N ATOM 516 CA GLU A 33 -3.162 3.250 -12.435 1.00 0.00 C ATOM 517 C GLU A 33 -3.352 4.695 -12.064 1.00 0.00 C ATOM 518 O GLU A 33 -3.462 5.023 -10.887 1.00 0.00 O ATOM 519 CB GLU A 33 -4.465 2.664 -12.942 1.00 0.00 C ATOM 520 CG GLU A 33 -5.643 2.765 -11.991 1.00 0.00 C ATOM 521 CD GLU A 33 -6.910 2.172 -12.573 1.00 0.00 C ATOM 522 OE1 GLU A 33 -6.985 0.929 -12.739 1.00 0.00 O ATOM 523 OE2 GLU A 33 -7.878 2.927 -12.847 1.00 0.00 O ATOM 0 H GLU A 33 -3.021 2.935 -10.407 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.435 3.154 -13.241 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.729 3.164 -13.874 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.302 1.613 -13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.400 2.252 -11.060 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.816 3.812 -11.742 1.00 0.00 H new ATOM 530 N ILE A 34 -3.360 5.548 -13.030 1.00 0.00 N ATOM 531 CA ILE A 34 -3.510 6.953 -12.788 1.00 0.00 C ATOM 532 C ILE A 34 -4.755 7.405 -13.488 1.00 0.00 C ATOM 533 O ILE A 34 -4.820 7.441 -14.722 1.00 0.00 O ATOM 534 CB ILE A 34 -2.293 7.805 -13.280 1.00 0.00 C ATOM 535 CG1 ILE A 34 -0.975 7.451 -12.557 1.00 0.00 C ATOM 536 CG2 ILE A 34 -2.570 9.300 -13.123 1.00 0.00 C ATOM 537 CD1 ILE A 34 -0.413 6.069 -12.817 1.00 0.00 C ATOM 0 H ILE A 34 -3.263 5.297 -14.014 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.568 7.105 -11.710 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.167 7.561 -14.335 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.221 8.185 -12.842 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.135 7.558 -11.484 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.708 9.868 -13.472 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.446 9.571 -13.712 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.753 9.528 -12.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.512 5.941 -12.254 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.137 5.317 -12.503 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.209 5.953 -13.882 1.00 0.00 H new ATOM 549 N ASP A 35 -5.718 7.751 -12.722 1.00 0.00 N ATOM 550 CA ASP A 35 -7.003 8.115 -13.246 1.00 0.00 C ATOM 551 C ASP A 35 -7.373 9.499 -12.782 1.00 0.00 C ATOM 552 O ASP A 35 -7.364 9.775 -11.578 1.00 0.00 O ATOM 553 CB ASP A 35 -8.072 7.119 -12.800 1.00 0.00 C ATOM 554 CG ASP A 35 -9.393 7.357 -13.491 1.00 0.00 C ATOM 555 OD1 ASP A 35 -10.165 8.249 -13.061 1.00 0.00 O ATOM 556 OD2 ASP A 35 -9.675 6.676 -14.496 1.00 0.00 O ATOM 0 H ASP A 35 -5.650 7.794 -11.705 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.947 8.100 -14.334 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.732 6.105 -13.009 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.209 7.194 -11.721 1.00 0.00 H new ATOM 561 N ASP A 36 -7.632 10.375 -13.742 1.00 0.00 N ATOM 562 CA ASP A 36 -8.073 11.767 -13.515 1.00 0.00 C ATOM 563 C ASP A 36 -6.935 12.587 -12.895 1.00 0.00 C ATOM 564 O ASP A 36 -7.137 13.631 -12.290 1.00 0.00 O ATOM 565 CB ASP A 36 -9.366 11.807 -12.648 1.00 0.00 C ATOM 566 CG ASP A 36 -10.021 13.174 -12.579 1.00 0.00 C ATOM 567 OD1 ASP A 36 -10.611 13.615 -13.596 1.00 0.00 O ATOM 568 OD2 ASP A 36 -9.972 13.831 -11.517 1.00 0.00 O ATOM 0 H ASP A 36 -7.542 10.143 -14.731 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.323 12.220 -14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.083 11.092 -13.051 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.123 11.480 -11.637 1.00 0.00 H new ATOM 573 N GLY A 37 -5.724 12.125 -13.107 1.00 0.00 N ATOM 574 CA GLY A 37 -4.565 12.824 -12.608 1.00 0.00 C ATOM 575 C GLY A 37 -4.100 12.333 -11.251 1.00 0.00 C ATOM 576 O GLY A 37 -3.058 12.773 -10.755 1.00 0.00 O ATOM 0 H GLY A 37 -5.517 11.269 -13.621 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.750 12.716 -13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.793 13.888 -12.542 1.00 0.00 H new ATOM 580 N GLU A 38 -4.849 11.451 -10.631 1.00 0.00 N ATOM 581 CA GLU A 38 -4.445 10.919 -9.352 1.00 0.00 C ATOM 582 C GLU A 38 -4.122 9.446 -9.464 1.00 0.00 C ATOM 583 O GLU A 38 -4.676 8.738 -10.314 1.00 0.00 O ATOM 584 CB GLU A 38 -5.461 11.232 -8.248 1.00 0.00 C ATOM 585 CG GLU A 38 -6.871 10.752 -8.490 1.00 0.00 C ATOM 586 CD GLU A 38 -7.841 11.335 -7.491 1.00 0.00 C ATOM 587 OE1 GLU A 38 -7.418 11.782 -6.400 1.00 0.00 O ATOM 588 OE2 GLU A 38 -9.052 11.412 -7.807 1.00 0.00 O ATOM 0 H GLU A 38 -5.734 11.090 -10.988 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.527 11.424 -9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.103 10.792 -7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.486 12.312 -8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.180 11.026 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.900 9.664 -8.432 1.00 0.00 H new ATOM 595 N VAL A 39 -3.238 8.989 -8.627 1.00 0.00 N ATOM 596 CA VAL A 39 -2.735 7.653 -8.729 1.00 0.00 C ATOM 597 C VAL A 39 -3.471 6.747 -7.766 1.00 0.00 C ATOM 598 O VAL A 39 -3.540 7.003 -6.547 1.00 0.00 O ATOM 599 CB VAL A 39 -1.212 7.590 -8.440 1.00 0.00 C ATOM 600 CG1 VAL A 39 -0.621 6.278 -8.911 1.00 0.00 C ATOM 601 CG2 VAL A 39 -0.468 8.775 -9.042 1.00 0.00 C ATOM 0 H VAL A 39 -2.847 9.531 -7.857 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.900 7.316 -9.752 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.087 7.648 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.447 6.262 -8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.108 5.452 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.776 6.174 -9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.595 8.690 -8.815 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.609 8.782 -10.123 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.857 9.701 -8.619 1.00 0.00 H new ATOM 611 N LEU A 40 -4.029 5.715 -8.319 1.00 0.00 N ATOM 612 CA LEU A 40 -4.767 4.737 -7.598 1.00 0.00 C ATOM 613 C LEU A 40 -3.951 3.489 -7.561 1.00 0.00 C ATOM 614 O LEU A 40 -3.517 2.987 -8.593 1.00 0.00 O ATOM 615 CB LEU A 40 -6.088 4.458 -8.295 1.00 0.00 C ATOM 616 CG LEU A 40 -6.968 5.670 -8.567 1.00 0.00 C ATOM 617 CD1 LEU A 40 -8.277 5.248 -9.189 1.00 0.00 C ATOM 618 CD2 LEU A 40 -7.189 6.463 -7.296 1.00 0.00 C ATOM 0 H LEU A 40 -3.979 5.528 -9.320 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.978 5.093 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.878 3.966 -9.245 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.654 3.752 -7.688 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.457 6.318 -9.279 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.892 6.129 -9.376 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.083 4.734 -10.131 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.802 4.576 -8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.820 7.325 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.677 5.832 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.229 6.804 -6.908 1.00 0.00 H new ATOM 630 N TYR A 41 -3.729 3.005 -6.411 1.00 0.00 N ATOM 631 CA TYR A 41 -2.889 1.855 -6.220 1.00 0.00 C ATOM 632 C TYR A 41 -3.687 0.657 -5.831 1.00 0.00 C ATOM 633 O TYR A 41 -4.688 0.763 -5.140 1.00 0.00 O ATOM 634 CB TYR A 41 -1.824 2.108 -5.158 1.00 0.00 C ATOM 635 CG TYR A 41 -0.749 3.079 -5.562 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.889 4.435 -5.338 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.416 2.628 -6.155 1.00 0.00 C ATOM 638 CE1 TYR A 41 0.108 5.318 -5.697 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.419 3.498 -6.517 1.00 0.00 C ATOM 640 CZ TYR A 41 1.260 4.846 -6.287 1.00 0.00 C ATOM 641 OH TYR A 41 2.260 5.730 -6.645 1.00 0.00 O ATOM 0 H TYR A 41 -4.121 3.386 -5.550 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.400 1.666 -7.176 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.311 2.481 -4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.357 1.158 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.791 4.809 -4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.541 1.571 -6.338 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.014 6.376 -5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.323 3.127 -6.977 1.00 0.00 H new ATOM 0 HH TYR A 41 2.948 5.746 -5.947 1.00 0.00 H new ATOM 651 N LEU A 42 -3.219 -0.466 -6.256 1.00 0.00 N ATOM 652 CA LEU A 42 -3.790 -1.724 -5.926 1.00 0.00 C ATOM 653 C LEU A 42 -2.841 -2.360 -4.969 1.00 0.00 C ATOM 654 O LEU A 42 -1.711 -2.715 -5.338 1.00 0.00 O ATOM 655 CB LEU A 42 -3.930 -2.590 -7.181 1.00 0.00 C ATOM 656 CG LEU A 42 -4.409 -4.027 -6.967 1.00 0.00 C ATOM 657 CD1 LEU A 42 -5.781 -4.055 -6.322 1.00 0.00 C ATOM 658 CD2 LEU A 42 -4.424 -4.776 -8.284 1.00 0.00 C ATOM 0 H LEU A 42 -2.402 -0.535 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.785 -1.612 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.624 -2.096 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.963 -2.624 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.712 -4.521 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.096 -5.089 -6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.739 -3.554 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.496 -3.542 -6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.767 -5.797 -8.118 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.098 -4.276 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.418 -4.795 -8.703 1.00 0.00 H new ATOM 670 N VAL A 43 -3.256 -2.463 -3.758 1.00 0.00 N ATOM 671 CA VAL A 43 -2.414 -2.937 -2.709 1.00 0.00 C ATOM 672 C VAL A 43 -3.011 -4.200 -2.141 1.00 0.00 C ATOM 673 O VAL A 43 -4.225 -4.386 -2.173 1.00 0.00 O ATOM 674 CB VAL A 43 -2.268 -1.852 -1.580 1.00 0.00 C ATOM 675 CG1 VAL A 43 -1.812 -0.530 -2.168 1.00 0.00 C ATOM 676 CG2 VAL A 43 -3.567 -1.660 -0.791 1.00 0.00 C ATOM 0 H VAL A 43 -4.200 -2.219 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.421 -3.142 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.512 -2.214 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.717 0.209 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.847 -0.663 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.544 -0.184 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.417 -0.901 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.360 -1.340 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.850 -2.602 -0.321 1.00 0.00 H new ATOM 686 N HIS A 44 -2.185 -5.079 -1.680 1.00 0.00 N ATOM 687 CA HIS A 44 -2.670 -6.289 -1.064 1.00 0.00 C ATOM 688 C HIS A 44 -2.055 -6.442 0.294 1.00 0.00 C ATOM 689 O HIS A 44 -0.837 -6.300 0.452 1.00 0.00 O ATOM 690 CB HIS A 44 -2.521 -7.553 -1.963 1.00 0.00 C ATOM 691 CG HIS A 44 -1.130 -7.976 -2.322 1.00 0.00 C ATOM 692 ND1 HIS A 44 -0.696 -9.268 -2.202 1.00 0.00 N ATOM 693 CD2 HIS A 44 -0.102 -7.290 -2.859 1.00 0.00 C ATOM 694 CE1 HIS A 44 0.537 -9.359 -2.642 1.00 0.00 C ATOM 695 NE2 HIS A 44 0.921 -8.170 -3.047 1.00 0.00 N ATOM 0 H HIS A 44 -1.169 -4.991 -1.714 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.749 -6.194 -0.939 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.008 -8.387 -1.457 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.070 -7.377 -2.888 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.091 -6.237 -3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.134 -10.258 -2.667 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.835 -7.943 -3.438 1.00 0.00 H new ATOM 704 N TYR A 45 -2.895 -6.679 1.261 1.00 0.00 N ATOM 705 CA TYR A 45 -2.508 -6.693 2.659 1.00 0.00 C ATOM 706 C TYR A 45 -1.659 -7.918 2.980 1.00 0.00 C ATOM 707 O TYR A 45 -2.008 -9.036 2.600 1.00 0.00 O ATOM 708 CB TYR A 45 -3.765 -6.683 3.542 1.00 0.00 C ATOM 709 CG TYR A 45 -4.782 -5.604 3.188 1.00 0.00 C ATOM 710 CD1 TYR A 45 -4.574 -4.274 3.524 1.00 0.00 C ATOM 711 CD2 TYR A 45 -5.952 -5.928 2.512 1.00 0.00 C ATOM 712 CE1 TYR A 45 -5.507 -3.299 3.197 1.00 0.00 C ATOM 713 CE2 TYR A 45 -6.887 -4.965 2.183 1.00 0.00 C ATOM 714 CZ TYR A 45 -6.663 -3.654 2.527 1.00 0.00 C ATOM 715 OH TYR A 45 -7.601 -2.688 2.204 1.00 0.00 O ATOM 0 H TYR A 45 -3.885 -6.872 1.107 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.911 -5.803 2.861 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.249 -7.657 3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.462 -6.551 4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.672 -3.993 4.048 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.135 -6.956 2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.330 -2.268 3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.789 -5.242 1.658 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.353 -3.106 1.734 1.00 0.00 H new ATOM 725 N TYR A 46 -0.551 -7.721 3.672 1.00 0.00 N ATOM 726 CA TYR A 46 0.286 -8.839 4.035 1.00 0.00 C ATOM 727 C TYR A 46 0.318 -8.951 5.553 1.00 0.00 C ATOM 728 O TYR A 46 0.445 -7.949 6.262 1.00 0.00 O ATOM 729 CB TYR A 46 1.708 -8.754 3.417 1.00 0.00 C ATOM 730 CG TYR A 46 2.661 -7.778 4.062 1.00 0.00 C ATOM 731 CD1 TYR A 46 2.593 -6.422 3.807 1.00 0.00 C ATOM 732 CD2 TYR A 46 3.645 -8.235 4.928 1.00 0.00 C ATOM 733 CE1 TYR A 46 3.475 -5.546 4.403 1.00 0.00 C ATOM 734 CE2 TYR A 46 4.526 -7.370 5.525 1.00 0.00 C ATOM 735 CZ TYR A 46 4.440 -6.029 5.264 1.00 0.00 C ATOM 736 OH TYR A 46 5.328 -5.166 5.863 1.00 0.00 O ATOM 0 H TYR A 46 -0.218 -6.810 3.988 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.144 -9.749 3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.157 -9.746 3.455 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.608 -8.489 2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.839 -6.043 3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.718 -9.292 5.136 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.411 -4.488 4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 46 5.284 -7.745 6.197 1.00 0.00 H new ATOM 0 HH TYR A 46 4.837 -4.522 6.414 1.00 0.00 H new ATOM 746 N GLY A 47 0.174 -10.144 6.038 1.00 0.00 N ATOM 747 CA GLY A 47 0.033 -10.376 7.455 1.00 0.00 C ATOM 748 C GLY A 47 -1.328 -10.963 7.692 1.00 0.00 C ATOM 749 O GLY A 47 -1.537 -11.809 8.568 1.00 0.00 O ATOM 0 H GLY A 47 0.150 -10.990 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.809 -11.055 7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.148 -9.444 8.008 1.00 0.00 H new ATOM 753 N TRP A 48 -2.235 -10.543 6.847 1.00 0.00 N ATOM 754 CA TRP A 48 -3.593 -11.020 6.808 1.00 0.00 C ATOM 755 C TRP A 48 -3.648 -11.989 5.643 1.00 0.00 C ATOM 756 O TRP A 48 -2.612 -12.583 5.284 1.00 0.00 O ATOM 757 CB TRP A 48 -4.548 -9.836 6.550 1.00 0.00 C ATOM 758 CG TRP A 48 -4.549 -8.787 7.626 1.00 0.00 C ATOM 759 CD1 TRP A 48 -5.366 -8.738 8.714 1.00 0.00 C ATOM 760 CD2 TRP A 48 -3.701 -7.631 7.711 1.00 0.00 C ATOM 761 NE1 TRP A 48 -5.078 -7.633 9.471 1.00 0.00 N ATOM 762 CE2 TRP A 48 -4.060 -6.937 8.879 1.00 0.00 C ATOM 763 CE3 TRP A 48 -2.676 -7.119 6.915 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -3.431 -5.761 9.270 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -2.053 -5.951 7.304 1.00 0.00 C ATOM 766 CH2 TRP A 48 -2.431 -5.284 8.473 1.00 0.00 C ATOM 0 H TRP A 48 -2.040 -9.833 6.141 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.890 -11.494 7.744 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.277 -9.367 5.604 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.561 -10.222 6.436 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.130 -9.465 8.947 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.548 -7.371 10.338 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.376 -7.628 6.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.723 -5.243 10.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.259 -5.545 6.695 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.922 -4.373 8.751 1.00 0.00 H new ATOM 777 N ASN A 49 -4.797 -12.206 5.072 1.00 0.00 N ATOM 778 CA ASN A 49 -4.851 -12.992 3.869 1.00 0.00 C ATOM 779 C ASN A 49 -4.332 -12.162 2.732 1.00 0.00 C ATOM 780 O ASN A 49 -4.933 -11.154 2.351 1.00 0.00 O ATOM 781 CB ASN A 49 -6.240 -13.549 3.568 1.00 0.00 C ATOM 782 CG ASN A 49 -6.621 -14.750 4.402 1.00 0.00 C ATOM 783 OD1 ASN A 49 -5.668 -15.586 4.728 1.00 0.00 O flip ATOM 784 ND2 ASN A 49 -7.783 -14.946 4.720 1.00 0.00 N flip ATOM 0 H ASN A 49 -5.695 -11.859 5.410 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.222 -13.871 4.011 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.977 -12.762 3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.289 -13.823 2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.505 -14.277 4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.032 -15.779 5.254 1.00 0.00 H new ATOM 791 N VAL A 50 -3.219 -12.594 2.193 1.00 0.00 N ATOM 792 CA VAL A 50 -2.482 -11.863 1.182 1.00 0.00 C ATOM 793 C VAL A 50 -3.262 -11.771 -0.149 1.00 0.00 C ATOM 794 O VAL A 50 -2.919 -10.983 -1.043 1.00 0.00 O ATOM 795 CB VAL A 50 -1.078 -12.502 0.972 1.00 0.00 C ATOM 796 CG1 VAL A 50 -1.150 -13.868 0.302 1.00 0.00 C ATOM 797 CG2 VAL A 50 -0.136 -11.565 0.252 1.00 0.00 C ATOM 0 H VAL A 50 -2.788 -13.482 2.448 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.349 -10.842 1.538 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.664 -12.672 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.143 -14.267 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.737 -14.547 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.622 -13.769 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.832 -12.049 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.548 -11.316 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.012 -10.653 0.837 1.00 0.00 H new ATOM 807 N ARG A 51 -4.325 -12.558 -0.259 1.00 0.00 N ATOM 808 CA ARG A 51 -5.185 -12.562 -1.430 1.00 0.00 C ATOM 809 C ARG A 51 -6.105 -11.332 -1.443 1.00 0.00 C ATOM 810 O ARG A 51 -6.819 -11.111 -2.401 1.00 0.00 O ATOM 811 CB ARG A 51 -6.032 -13.852 -1.485 1.00 0.00 C ATOM 812 CG ARG A 51 -7.053 -13.982 -0.353 1.00 0.00 C ATOM 813 CD ARG A 51 -7.812 -15.303 -0.407 1.00 0.00 C ATOM 814 NE ARG A 51 -8.553 -15.479 -1.666 1.00 0.00 N ATOM 815 CZ ARG A 51 -9.443 -16.454 -1.910 1.00 0.00 C ATOM 816 NH1 ARG A 51 -9.845 -17.268 -0.928 1.00 0.00 N ATOM 817 NH2 ARG A 51 -9.967 -16.573 -3.127 1.00 0.00 N ATOM 0 H ARG A 51 -4.614 -13.214 0.467 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.543 -12.525 -2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.558 -13.887 -2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.364 -14.713 -1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.542 -13.898 0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.762 -13.156 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.109 -16.127 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.508 -15.352 0.430 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.376 -14.807 -2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.475 -17.151 0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.522 -18.006 -1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.692 -15.926 -3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.644 -17.311 -3.321 1.00 0.00 H new ATOM 831 N TYR A 52 -6.102 -10.557 -0.374 1.00 0.00 N ATOM 832 CA TYR A 52 -6.931 -9.370 -0.312 1.00 0.00 C ATOM 833 C TYR A 52 -6.254 -8.170 -0.906 1.00 0.00 C ATOM 834 O TYR A 52 -5.402 -7.531 -0.273 1.00 0.00 O ATOM 835 CB TYR A 52 -7.436 -9.078 1.097 1.00 0.00 C ATOM 836 CG TYR A 52 -8.529 -10.007 1.526 1.00 0.00 C ATOM 837 CD1 TYR A 52 -8.245 -11.215 2.116 1.00 0.00 C ATOM 838 CD2 TYR A 52 -9.853 -9.677 1.318 1.00 0.00 C ATOM 839 CE1 TYR A 52 -9.247 -12.079 2.491 1.00 0.00 C ATOM 840 CE2 TYR A 52 -10.861 -10.527 1.692 1.00 0.00 C ATOM 841 CZ TYR A 52 -10.555 -11.731 2.277 1.00 0.00 C ATOM 842 OH TYR A 52 -11.564 -12.594 2.640 1.00 0.00 O ATOM 0 H TYR A 52 -5.538 -10.728 0.458 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.806 -9.588 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.605 -9.153 1.799 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.799 -8.051 1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.215 -11.491 2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.099 -8.734 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.005 -13.026 2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -11.892 -10.251 1.527 1.00 0.00 H new ATOM 0 HH TYR A 52 -12.431 -12.194 2.420 1.00 0.00 H new ATOM 852 N ASP A 53 -6.601 -7.905 -2.136 1.00 0.00 N ATOM 853 CA ASP A 53 -6.134 -6.746 -2.851 1.00 0.00 C ATOM 854 C ASP A 53 -7.266 -5.754 -2.959 1.00 0.00 C ATOM 855 O ASP A 53 -8.436 -6.142 -3.131 1.00 0.00 O ATOM 856 CB ASP A 53 -5.595 -7.112 -4.250 1.00 0.00 C ATOM 857 CG ASP A 53 -6.635 -7.726 -5.178 1.00 0.00 C ATOM 858 OD1 ASP A 53 -6.840 -8.963 -5.122 1.00 0.00 O ATOM 859 OD2 ASP A 53 -7.222 -7.009 -5.999 1.00 0.00 O ATOM 0 H ASP A 53 -7.227 -8.498 -2.680 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.303 -6.305 -2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.192 -6.214 -4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.767 -7.812 -4.137 1.00 0.00 H new ATOM 864 N GLU A 54 -6.946 -4.502 -2.815 1.00 0.00 N ATOM 865 CA GLU A 54 -7.924 -3.444 -2.858 1.00 0.00 C ATOM 866 C GLU A 54 -7.239 -2.171 -3.330 1.00 0.00 C ATOM 867 O GLU A 54 -6.006 -2.053 -3.251 1.00 0.00 O ATOM 868 CB GLU A 54 -8.564 -3.271 -1.452 1.00 0.00 C ATOM 869 CG GLU A 54 -9.714 -2.276 -1.378 1.00 0.00 C ATOM 870 CD GLU A 54 -10.802 -2.585 -2.374 1.00 0.00 C ATOM 871 OE1 GLU A 54 -10.716 -2.105 -3.518 1.00 0.00 O ATOM 872 OE2 GLU A 54 -11.769 -3.292 -2.034 1.00 0.00 O ATOM 0 H GLU A 54 -5.991 -4.179 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.726 -3.684 -3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.924 -4.242 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.788 -2.957 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.133 -2.282 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.334 -1.271 -1.559 1.00 0.00 H new ATOM 879 N TRP A 55 -8.016 -1.248 -3.819 1.00 0.00 N ATOM 880 CA TRP A 55 -7.498 -0.025 -4.366 1.00 0.00 C ATOM 881 C TRP A 55 -7.567 1.091 -3.374 1.00 0.00 C ATOM 882 O TRP A 55 -8.579 1.283 -2.697 1.00 0.00 O ATOM 883 CB TRP A 55 -8.242 0.355 -5.633 1.00 0.00 C ATOM 884 CG TRP A 55 -8.023 -0.624 -6.743 1.00 0.00 C ATOM 885 CD1 TRP A 55 -8.634 -1.834 -6.900 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.109 -0.490 -7.836 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.183 -2.440 -8.043 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.238 -1.641 -8.630 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.198 0.497 -8.225 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -6.490 -1.836 -9.788 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -5.453 0.300 -9.369 1.00 0.00 C ATOM 892 CH2 TRP A 55 -5.603 -0.857 -10.138 1.00 0.00 C ATOM 0 H TRP A 55 -9.033 -1.322 -3.850 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.450 -0.195 -4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.308 0.422 -5.418 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.919 1.344 -5.957 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.365 -2.252 -6.224 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.500 -3.341 -8.400 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.080 1.397 -7.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.606 -2.727 -10.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.742 1.053 -9.676 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.005 -0.980 -11.029 1.00 0.00 H new ATOM 903 N VAL A 56 -6.496 1.804 -3.278 1.00 0.00 N ATOM 904 CA VAL A 56 -6.377 2.931 -2.405 1.00 0.00 C ATOM 905 C VAL A 56 -5.763 4.054 -3.205 1.00 0.00 C ATOM 906 O VAL A 56 -5.238 3.822 -4.287 1.00 0.00 O ATOM 907 CB VAL A 56 -5.499 2.624 -1.150 1.00 0.00 C ATOM 908 CG1 VAL A 56 -6.075 1.460 -0.364 1.00 0.00 C ATOM 909 CG2 VAL A 56 -4.053 2.335 -1.534 1.00 0.00 C ATOM 0 H VAL A 56 -5.652 1.616 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.365 3.199 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.508 3.514 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.448 1.263 0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.085 1.707 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.106 0.573 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.473 2.126 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.018 1.471 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.632 3.201 -2.044 1.00 0.00 H new ATOM 919 N LYS A 57 -5.830 5.237 -2.714 1.00 0.00 N ATOM 920 CA LYS A 57 -5.283 6.344 -3.432 1.00 0.00 C ATOM 921 C LYS A 57 -3.942 6.704 -2.805 1.00 0.00 C ATOM 922 O LYS A 57 -3.713 6.376 -1.639 1.00 0.00 O ATOM 923 CB LYS A 57 -6.286 7.486 -3.384 1.00 0.00 C ATOM 924 CG LYS A 57 -6.135 8.514 -4.482 1.00 0.00 C ATOM 925 CD LYS A 57 -7.476 9.183 -4.737 1.00 0.00 C ATOM 926 CE LYS A 57 -7.877 10.163 -3.651 1.00 0.00 C ATOM 927 NZ LYS A 57 -7.076 11.393 -3.727 1.00 0.00 N ATOM 0 H LYS A 57 -6.257 5.471 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.103 6.109 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.292 7.069 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.196 7.989 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.393 9.260 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.775 8.038 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.436 9.707 -5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.245 8.416 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.935 10.407 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.747 9.700 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.535 12.141 -3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.125 11.212 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.001 11.697 -4.719 1.00 0.00 H new ATOM 941 N ALA A 58 -3.069 7.369 -3.564 1.00 0.00 N ATOM 942 CA ALA A 58 -1.697 7.721 -3.123 1.00 0.00 C ATOM 943 C ALA A 58 -1.691 8.466 -1.789 1.00 0.00 C ATOM 944 O ALA A 58 -0.787 8.308 -0.968 1.00 0.00 O ATOM 945 CB ALA A 58 -1.008 8.558 -4.189 1.00 0.00 C ATOM 0 H ALA A 58 -3.285 7.685 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.152 6.788 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.001 8.812 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.952 7.990 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.576 9.473 -4.357 1.00 0.00 H new ATOM 951 N ASP A 59 -2.732 9.235 -1.581 1.00 0.00 N ATOM 952 CA ASP A 59 -2.938 10.047 -0.371 1.00 0.00 C ATOM 953 C ASP A 59 -3.048 9.186 0.878 1.00 0.00 C ATOM 954 O ASP A 59 -2.733 9.630 1.987 1.00 0.00 O ATOM 955 CB ASP A 59 -4.245 10.823 -0.490 1.00 0.00 C ATOM 956 CG ASP A 59 -4.301 11.751 -1.662 1.00 0.00 C ATOM 957 OD1 ASP A 59 -4.586 11.276 -2.785 1.00 0.00 O ATOM 958 OD2 ASP A 59 -4.095 12.971 -1.489 1.00 0.00 O ATOM 0 H ASP A 59 -3.489 9.327 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.078 10.711 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.070 10.115 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.397 11.399 0.423 1.00 0.00 H new ATOM 963 N ARG A 60 -3.476 7.957 0.693 1.00 0.00 N ATOM 964 CA ARG A 60 -3.775 7.048 1.792 1.00 0.00 C ATOM 965 C ARG A 60 -2.573 6.186 2.110 1.00 0.00 C ATOM 966 O ARG A 60 -2.623 5.345 2.988 1.00 0.00 O ATOM 967 CB ARG A 60 -4.932 6.121 1.383 1.00 0.00 C ATOM 968 CG ARG A 60 -6.175 6.837 0.882 1.00 0.00 C ATOM 969 CD ARG A 60 -6.847 7.670 1.960 1.00 0.00 C ATOM 970 NE ARG A 60 -7.504 6.860 2.985 1.00 0.00 N ATOM 971 CZ ARG A 60 -8.825 6.697 3.103 1.00 0.00 C ATOM 972 NH1 ARG A 60 -9.617 6.880 2.051 1.00 0.00 N ATOM 973 NH2 ARG A 60 -9.343 6.265 4.245 1.00 0.00 N ATOM 0 H ARG A 60 -3.630 7.551 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.042 7.641 2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.580 5.446 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.205 5.504 2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.905 7.482 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.884 6.102 0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.102 8.310 2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.584 8.327 1.497 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.908 6.383 3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.217 7.145 1.151 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.625 6.755 2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.733 6.057 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.352 6.141 4.333 1.00 0.00 H new ATOM 987 N ILE A 61 -1.508 6.386 1.399 1.00 0.00 N ATOM 988 CA ILE A 61 -0.369 5.537 1.533 1.00 0.00 C ATOM 989 C ILE A 61 0.788 6.254 2.212 1.00 0.00 C ATOM 990 O ILE A 61 1.001 7.449 2.000 1.00 0.00 O ATOM 991 CB ILE A 61 0.064 5.010 0.137 1.00 0.00 C ATOM 992 CG1 ILE A 61 -1.078 4.210 -0.497 1.00 0.00 C ATOM 993 CG2 ILE A 61 1.305 4.161 0.231 1.00 0.00 C ATOM 994 CD1 ILE A 61 -0.728 3.575 -1.821 1.00 0.00 C ATOM 0 H ILE A 61 -1.405 7.136 0.715 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.648 4.694 2.166 1.00 0.00 H new ATOM 0 HB ILE A 61 0.295 5.869 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.388 3.429 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.934 4.870 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.581 3.808 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.121 4.754 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.113 3.306 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.591 3.028 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.447 4.351 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.107 2.887 -1.685 1.00 0.00 H new ATOM 1006 N ILE A 62 1.481 5.541 3.072 1.00 0.00 N ATOM 1007 CA ILE A 62 2.698 6.018 3.678 1.00 0.00 C ATOM 1008 C ILE A 62 3.826 5.207 3.060 1.00 0.00 C ATOM 1009 O ILE A 62 3.932 3.999 3.310 1.00 0.00 O ATOM 1010 CB ILE A 62 2.782 5.814 5.240 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.579 6.377 6.020 1.00 0.00 C ATOM 1012 CG2 ILE A 62 4.077 6.396 5.800 1.00 0.00 C ATOM 1013 CD1 ILE A 62 0.332 5.521 5.996 1.00 0.00 C ATOM 0 H ILE A 62 1.210 4.604 3.371 1.00 0.00 H new ATOM 0 HA ILE A 62 2.752 7.092 3.502 1.00 0.00 H new ATOM 0 HB ILE A 62 2.764 4.734 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.878 6.525 7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.333 7.359 5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.109 6.242 6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.929 5.899 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.119 7.464 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.454 6.007 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.001 5.393 4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.552 4.546 6.431 1.00 0.00 H new ATOM 1025 N TRP A 63 4.611 5.837 2.234 1.00 0.00 N ATOM 1026 CA TRP A 63 5.741 5.192 1.597 1.00 0.00 C ATOM 1027 C TRP A 63 6.922 5.210 2.546 1.00 0.00 C ATOM 1028 O TRP A 63 7.275 6.293 3.059 1.00 0.00 O ATOM 1029 CB TRP A 63 6.116 5.921 0.296 1.00 0.00 C ATOM 1030 CG TRP A 63 5.050 5.871 -0.749 1.00 0.00 C ATOM 1031 CD1 TRP A 63 4.029 6.752 -0.926 1.00 0.00 C ATOM 1032 CD2 TRP A 63 4.906 4.877 -1.765 1.00 0.00 C ATOM 1033 NE1 TRP A 63 3.252 6.363 -1.985 1.00 0.00 N ATOM 1034 CE2 TRP A 63 3.770 5.210 -2.517 1.00 0.00 C ATOM 1035 CE3 TRP A 63 5.629 3.730 -2.108 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 3.340 4.441 -3.589 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 5.202 2.967 -3.174 1.00 0.00 C ATOM 1038 CH2 TRP A 63 4.066 3.323 -3.901 1.00 0.00 C ATOM 0 H TRP A 63 4.491 6.817 1.977 1.00 0.00 H new ATOM 0 HA TRP A 63 5.472 4.164 1.354 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.339 6.963 0.525 1.00 0.00 H new ATOM 0 HB3 TRP A 63 7.028 5.481 -0.107 1.00 0.00 H new ATOM 0 HD1 TRP A 63 3.856 7.629 -0.321 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.423 6.852 -2.323 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.507 3.447 -1.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.463 4.715 -4.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.755 2.081 -3.450 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.752 2.703 -4.728 1.00 0.00 H new ATOM 1049 N PRO A 64 7.523 4.041 2.855 1.00 0.00 N ATOM 1050 CA PRO A 64 8.695 3.990 3.716 1.00 0.00 C ATOM 1051 C PRO A 64 9.854 4.712 3.052 1.00 0.00 C ATOM 1052 O PRO A 64 10.353 4.293 1.999 1.00 0.00 O ATOM 1053 CB PRO A 64 8.999 2.488 3.851 1.00 0.00 C ATOM 1054 CG PRO A 64 7.740 1.807 3.438 1.00 0.00 C ATOM 1055 CD PRO A 64 7.103 2.704 2.416 1.00 0.00 C ATOM 0 HA PRO A 64 8.535 4.468 4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.834 2.195 3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.271 2.230 4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.948 0.823 3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.079 1.656 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.451 2.481 1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.018 2.603 2.408 1.00 0.00 H new ATOM 1063 N LEU A 65 10.298 5.752 3.703 1.00 0.00 N ATOM 1064 CA LEU A 65 11.295 6.658 3.202 1.00 0.00 C ATOM 1065 C LEU A 65 11.695 7.615 4.268 1.00 0.00 C ATOM 1066 O LEU A 65 10.903 8.495 4.628 1.00 0.00 O ATOM 1067 CB LEU A 65 10.762 7.481 2.017 1.00 0.00 C ATOM 1068 CG LEU A 65 11.043 6.961 0.623 1.00 0.00 C ATOM 1069 CD1 LEU A 65 10.287 7.800 -0.388 1.00 0.00 C ATOM 1070 CD2 LEU A 65 12.538 7.035 0.348 1.00 0.00 C ATOM 0 H LEU A 65 9.962 6.001 4.633 1.00 0.00 H new ATOM 0 HA LEU A 65 12.143 6.055 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.682 7.573 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.177 8.486 2.091 1.00 0.00 H new ATOM 0 HG LEU A 65 10.716 5.924 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.488 7.428 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.218 7.739 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.611 8.838 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.742 6.661 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.871 8.070 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.073 6.427 1.078 1.00 0.00 H new ATOM 1082 N ASP A 66 12.887 7.431 4.795 1.00 0.00 N ATOM 1083 CA ASP A 66 13.519 8.365 5.746 1.00 0.00 C ATOM 1084 C ASP A 66 12.938 8.317 7.157 1.00 0.00 C ATOM 1085 O ASP A 66 13.651 7.987 8.096 1.00 0.00 O ATOM 1086 CB ASP A 66 13.502 9.788 5.199 1.00 0.00 C ATOM 1087 CG ASP A 66 14.198 10.780 6.098 1.00 0.00 C ATOM 1088 OD1 ASP A 66 15.444 10.751 6.169 1.00 0.00 O ATOM 1089 OD2 ASP A 66 13.509 11.623 6.716 1.00 0.00 O ATOM 0 H ASP A 66 13.466 6.619 4.581 1.00 0.00 H new ATOM 0 HA ASP A 66 14.550 8.027 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.979 9.799 4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.468 10.102 5.054 1.00 0.00 H new ATOM 1094 N LYS A 67 11.653 8.617 7.298 1.00 0.00 N ATOM 1095 CA LYS A 67 11.018 8.677 8.629 1.00 0.00 C ATOM 1096 C LYS A 67 11.061 7.328 9.328 1.00 0.00 C ATOM 1097 O LYS A 67 10.892 6.277 8.689 1.00 0.00 O ATOM 1098 CB LYS A 67 9.584 9.306 8.630 1.00 0.00 C ATOM 1099 CG LYS A 67 8.444 8.483 8.053 1.00 0.00 C ATOM 1100 CD LYS A 67 8.685 8.106 6.627 1.00 0.00 C ATOM 1101 CE LYS A 67 7.432 7.632 5.943 1.00 0.00 C ATOM 1102 NZ LYS A 67 6.500 8.752 5.694 1.00 0.00 N ATOM 0 H LYS A 67 11.026 8.823 6.520 1.00 0.00 H new ATOM 0 HA LYS A 67 11.622 9.372 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.329 9.554 9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.631 10.245 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.313 7.580 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.516 9.050 8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.087 8.965 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.440 7.321 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.690 7.153 4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.942 6.878 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.882 8.517 4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.920 8.916 6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.042 9.612 5.474 1.00 0.00 H new ATOM 1116 N GLY A 68 11.329 7.358 10.606 1.00 0.00 N ATOM 1117 CA GLY A 68 11.523 6.153 11.368 1.00 0.00 C ATOM 1118 C GLY A 68 10.265 5.351 11.629 1.00 0.00 C ATOM 1119 O GLY A 68 9.614 5.522 12.665 1.00 0.00 O ATOM 0 H GLY A 68 11.419 8.217 11.148 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.237 5.519 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.974 6.415 12.325 1.00 0.00 H new ATOM 1123 N LEU A 69 9.900 4.502 10.694 1.00 0.00 N ATOM 1124 CA LEU A 69 8.823 3.550 10.917 1.00 0.00 C ATOM 1125 C LEU A 69 9.385 2.450 11.806 1.00 0.00 C ATOM 1126 O LEU A 69 10.100 1.556 11.331 1.00 0.00 O ATOM 1127 CB LEU A 69 8.288 2.974 9.598 1.00 0.00 C ATOM 1128 CG LEU A 69 7.682 3.981 8.606 1.00 0.00 C ATOM 1129 CD1 LEU A 69 7.227 3.275 7.340 1.00 0.00 C ATOM 1130 CD2 LEU A 69 6.515 4.733 9.237 1.00 0.00 C ATOM 0 H LEU A 69 10.330 4.448 9.771 1.00 0.00 H new ATOM 0 HA LEU A 69 7.976 4.043 11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.103 2.451 9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.529 2.228 9.834 1.00 0.00 H new ATOM 0 HG LEU A 69 8.456 4.703 8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.801 4.004 6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.080 2.786 6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.473 2.529 7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.104 5.439 8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.742 4.024 9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.864 5.275 10.116 1.00 0.00 H new ATOM 1142 N GLU A 70 9.090 2.567 13.085 1.00 0.00 N ATOM 1143 CA GLU A 70 9.698 1.793 14.161 1.00 0.00 C ATOM 1144 C GLU A 70 11.101 2.288 14.462 1.00 0.00 C ATOM 1145 O GLU A 70 11.941 2.443 13.577 1.00 0.00 O ATOM 1146 CB GLU A 70 9.695 0.246 14.019 1.00 0.00 C ATOM 1147 CG GLU A 70 8.358 -0.438 14.272 1.00 0.00 C ATOM 1148 CD GLU A 70 8.527 -1.926 14.573 1.00 0.00 C ATOM 1149 OE1 GLU A 70 8.789 -2.284 15.753 1.00 0.00 O ATOM 1150 OE2 GLU A 70 8.390 -2.768 13.664 1.00 0.00 O ATOM 0 H GLU A 70 8.392 3.230 13.422 1.00 0.00 H new ATOM 0 HA GLU A 70 9.026 1.978 14.999 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.028 -0.009 13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.429 -0.165 14.711 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.855 0.047 15.109 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.716 -0.315 13.400 1.00 0.00 H new ATOM 1157 N HIS A 71 11.326 2.580 15.703 1.00 0.00 N ATOM 1158 CA HIS A 71 12.632 2.974 16.202 1.00 0.00 C ATOM 1159 C HIS A 71 13.091 1.844 17.086 1.00 0.00 C ATOM 1160 O HIS A 71 13.753 2.036 18.112 1.00 0.00 O ATOM 1161 CB HIS A 71 12.538 4.282 17.004 1.00 0.00 C ATOM 1162 CG HIS A 71 12.060 5.470 16.214 1.00 0.00 C ATOM 1163 ND1 HIS A 71 10.799 6.009 16.347 1.00 0.00 N ATOM 1164 CD2 HIS A 71 12.690 6.230 15.290 1.00 0.00 C ATOM 1165 CE1 HIS A 71 10.672 7.039 15.543 1.00 0.00 C ATOM 1166 NE2 HIS A 71 11.803 7.197 14.893 1.00 0.00 N ATOM 0 H HIS A 71 10.603 2.555 16.422 1.00 0.00 H new ATOM 0 HA HIS A 71 13.331 3.156 15.386 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.864 4.128 17.847 1.00 0.00 H new ATOM 0 HB3 HIS A 71 13.520 4.510 17.419 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.701 6.100 14.932 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.789 7.652 15.434 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.991 7.924 14.203 1.00 0.00 H new ATOM 1175 N HIS A 72 12.783 0.650 16.600 1.00 0.00 N ATOM 1176 CA HIS A 72 12.970 -0.619 17.283 1.00 0.00 C ATOM 1177 C HIS A 72 14.444 -0.822 17.584 1.00 0.00 C ATOM 1178 O HIS A 72 14.814 -1.384 18.614 1.00 0.00 O ATOM 1179 CB HIS A 72 12.445 -1.733 16.368 1.00 0.00 C ATOM 1180 CG HIS A 72 12.123 -3.022 17.029 1.00 0.00 C ATOM 1181 ND1 HIS A 72 10.855 -3.552 17.019 1.00 0.00 N ATOM 1182 CD2 HIS A 72 12.898 -3.915 17.676 1.00 0.00 C ATOM 1183 CE1 HIS A 72 10.866 -4.712 17.634 1.00 0.00 C ATOM 1184 NE2 HIS A 72 12.094 -4.956 18.041 1.00 0.00 N ATOM 0 H HIS A 72 12.376 0.536 15.672 1.00 0.00 H new ATOM 0 HA HIS A 72 12.426 -0.634 18.227 1.00 0.00 H new ATOM 0 HB2 HIS A 72 11.548 -1.371 15.866 1.00 0.00 H new ATOM 0 HB3 HIS A 72 13.189 -1.921 15.594 1.00 0.00 H new ATOM 0 HD1 HIS A 72 10.035 -3.113 16.600 1.00 0.00 H new ATOM 0 HD2 HIS A 72 13.957 -3.824 17.869 1.00 0.00 H new ATOM 0 HE1 HIS A 72 10.012 -5.357 17.781 1.00 0.00 H new ATOM 1193 N HIS A 73 15.264 -0.380 16.674 1.00 0.00 N ATOM 1194 CA HIS A 73 16.682 -0.384 16.850 1.00 0.00 C ATOM 1195 C HIS A 73 17.173 0.891 16.169 1.00 0.00 C ATOM 1196 O HIS A 73 17.145 0.996 14.954 1.00 0.00 O ATOM 1197 CB HIS A 73 17.299 -1.645 16.217 1.00 0.00 C ATOM 1198 CG HIS A 73 18.579 -2.103 16.867 1.00 0.00 C ATOM 1199 ND1 HIS A 73 18.918 -3.424 16.998 1.00 0.00 N ATOM 1200 CD2 HIS A 73 19.605 -1.413 17.401 1.00 0.00 C ATOM 1201 CE1 HIS A 73 20.089 -3.521 17.579 1.00 0.00 C ATOM 1202 NE2 HIS A 73 20.536 -2.313 17.832 1.00 0.00 N ATOM 0 H HIS A 73 14.959 -0.002 15.777 1.00 0.00 H new ATOM 0 HA HIS A 73 16.971 -0.405 17.901 1.00 0.00 H new ATOM 0 HB2 HIS A 73 16.571 -2.455 16.265 1.00 0.00 H new ATOM 0 HB3 HIS A 73 17.490 -1.451 15.162 1.00 0.00 H new ATOM 0 HD2 HIS A 73 19.678 -0.338 17.475 1.00 0.00 H new ATOM 0 HE1 HIS A 73 20.602 -4.443 17.811 1.00 0.00 H new ATOM 0 HE2 HIS A 73 21.426 -2.086 18.275 1.00 0.00 H new ATOM 1211 N HIS A 74 17.579 1.859 16.966 1.00 0.00 N ATOM 1212 CA HIS A 74 17.900 3.232 16.496 1.00 0.00 C ATOM 1213 C HIS A 74 19.305 3.349 15.851 1.00 0.00 C ATOM 1214 O HIS A 74 19.769 4.433 15.520 1.00 0.00 O ATOM 1215 CB HIS A 74 17.702 4.211 17.683 1.00 0.00 C ATOM 1216 CG HIS A 74 17.950 5.680 17.428 1.00 0.00 C ATOM 1217 ND1 HIS A 74 17.317 6.409 16.447 1.00 0.00 N ATOM 1218 CD2 HIS A 74 18.759 6.552 18.068 1.00 0.00 C ATOM 1219 CE1 HIS A 74 17.723 7.658 16.505 1.00 0.00 C ATOM 1220 NE2 HIS A 74 18.596 7.772 17.480 1.00 0.00 N ATOM 0 H HIS A 74 17.703 1.734 17.971 1.00 0.00 H new ATOM 0 HA HIS A 74 17.217 3.496 15.688 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.679 4.101 18.042 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.360 3.895 18.492 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.415 6.325 18.895 1.00 0.00 H new ATOM 0 HE1 HIS A 74 17.393 8.458 15.858 1.00 0.00 H new ATOM 0 HE2 HIS A 74 19.073 8.631 17.752 1.00 0.00 H new ATOM 1229 N HIS A 75 19.934 2.236 15.658 1.00 0.00 N ATOM 1230 CA HIS A 75 21.252 2.131 15.039 1.00 0.00 C ATOM 1231 C HIS A 75 21.505 0.663 14.882 1.00 0.00 C ATOM 1232 O HIS A 75 20.566 -0.108 15.021 1.00 0.00 O ATOM 1233 CB HIS A 75 22.375 2.829 15.879 1.00 0.00 C ATOM 1234 CG HIS A 75 22.624 2.281 17.264 1.00 0.00 C ATOM 1235 ND1 HIS A 75 23.673 1.438 17.571 1.00 0.00 N ATOM 1236 CD2 HIS A 75 21.974 2.501 18.431 1.00 0.00 C ATOM 1237 CE1 HIS A 75 23.651 1.171 18.859 1.00 0.00 C ATOM 1238 NE2 HIS A 75 22.634 1.802 19.399 1.00 0.00 N ATOM 0 H HIS A 75 19.546 1.333 15.930 1.00 0.00 H new ATOM 0 HA HIS A 75 21.271 2.649 14.080 1.00 0.00 H new ATOM 0 HB2 HIS A 75 23.307 2.770 15.317 1.00 0.00 H new ATOM 0 HB3 HIS A 75 22.124 3.886 15.971 1.00 0.00 H new ATOM 0 HD2 HIS A 75 21.097 3.115 18.570 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.352 0.539 19.384 1.00 0.00 H new ATOM 0 HE2 HIS A 75 22.378 1.774 20.386 1.00 0.00 H new ATOM 1247 N HIS A 76 22.702 0.258 14.602 1.00 0.00 N ATOM 1248 CA HIS A 76 22.965 -1.148 14.511 1.00 0.00 C ATOM 1249 C HIS A 76 23.608 -1.608 15.815 1.00 0.00 C ATOM 1250 O HIS A 76 24.829 -1.777 15.866 1.00 0.00 O ATOM 1251 CB HIS A 76 23.857 -1.464 13.308 1.00 0.00 C ATOM 1252 CG HIS A 76 24.018 -2.928 13.063 1.00 0.00 C ATOM 1253 ND1 HIS A 76 25.080 -3.655 13.523 1.00 0.00 N ATOM 1254 CD2 HIS A 76 23.231 -3.797 12.402 1.00 0.00 C ATOM 1255 CE1 HIS A 76 24.946 -4.905 13.159 1.00 0.00 C ATOM 1256 NE2 HIS A 76 23.830 -5.025 12.478 1.00 0.00 N ATOM 1257 OXT HIS A 76 22.891 -1.729 16.825 1.00 0.00 O ATOM 0 H HIS A 76 23.503 0.866 14.434 1.00 0.00 H new ATOM 0 HA HIS A 76 22.030 -1.687 14.360 1.00 0.00 H new ATOM 0 HB2 HIS A 76 23.434 -0.998 12.418 1.00 0.00 H new ATOM 0 HB3 HIS A 76 24.839 -1.018 13.465 1.00 0.00 H new ATOM 0 HD2 HIS A 76 22.300 -3.568 11.904 1.00 0.00 H new ATOM 0 HE1 HIS A 76 25.638 -5.704 13.382 1.00 0.00 H new ATOM 0 HE2 HIS A 76 23.470 -5.889 12.073 1.00 0.00 H new TER 1266 HIS A 76