USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= -0.525 (180deg=-2.54!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -80:sc= 1.03 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 14 SER OG : rot 180:sc= -0.011 USER MOD Single : A 16 LYS NZ :NH3+ -156:sc=-0.00645 (180deg=-0.0154) USER MOD Single : A 18 TYR OH : rot -98:sc= -1.49! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 150:sc= 0.0554 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 31 HIS : no HD1:sc= -6.96! C(o=-7!,f=-5!) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.0991 (180deg=-0.329) USER MOD Single : A 35 THR OG1 : rot -111:sc= -4.36! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= -0.283 (180deg=-0.283) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 45 THR OG1 : rot -86:sc= -5.67! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0429 X(o=-0.043,f=-0.11) USER MOD Single : A 56 THR OG1 : rot -76:sc= -4.13! USER MOD Single : A 58 HIS : no HE2:sc= -15.9! C(o=-16!,f=-22!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0527) USER MOD Single : A 77 LYS NZ :NH3+ 178:sc= -1.3! (180deg=-1.35!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= -0.02 (180deg=-0.02) USER MOD Single : A 82 GLN : amide:sc= -1.56 K(o=-1.6,f=-6.7!) USER MOD Single : A 87 GLN : amide:sc= -2.7! C(o=-2.7!,f=-6.3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.934 -18.295 7.232 1.00 0.00 N ATOM 2 CA MET A 1 -6.249 -17.925 6.628 1.00 0.00 C ATOM 3 C MET A 1 -6.092 -16.715 5.714 1.00 0.00 C ATOM 4 O MET A 1 -6.552 -15.636 6.032 1.00 0.00 O ATOM 5 CB MET A 1 -7.154 -17.556 7.808 1.00 0.00 C ATOM 6 CG MET A 1 -6.369 -16.721 8.823 1.00 0.00 C ATOM 7 SD MET A 1 -7.370 -16.481 10.311 1.00 0.00 S ATOM 8 CE MET A 1 -7.960 -14.817 9.919 1.00 0.00 C ATOM 0 H1 MET A 1 -5.093 -18.829 8.110 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.397 -18.882 6.562 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.395 -17.432 7.445 1.00 0.00 H new ATOM 0 HA MET A 1 -6.656 -18.741 6.031 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.019 -16.995 7.453 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.534 -18.460 8.283 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.435 -17.222 9.077 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.105 -15.756 8.390 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.610 -14.463 10.720 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.109 -14.144 9.818 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.518 -14.840 8.983 1.00 0.00 H new ATOM 20 N LYS A 2 -5.463 -16.861 4.579 1.00 0.00 N ATOM 21 CA LYS A 2 -5.329 -15.675 3.697 1.00 0.00 C ATOM 22 C LYS A 2 -6.719 -15.200 3.297 1.00 0.00 C ATOM 23 O LYS A 2 -7.273 -15.607 2.296 1.00 0.00 O ATOM 24 CB LYS A 2 -4.511 -16.108 2.482 1.00 0.00 C ATOM 25 CG LYS A 2 -5.226 -17.249 1.758 1.00 0.00 C ATOM 26 CD LYS A 2 -4.190 -18.225 1.197 1.00 0.00 C ATOM 27 CE LYS A 2 -4.083 -18.041 -0.319 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.534 -19.338 -0.896 1.00 0.00 N ATOM 0 H LYS A 2 -5.048 -17.726 4.234 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.826 -14.846 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.374 -15.265 1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.518 -16.430 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.895 -17.767 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.842 -16.852 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.221 -18.051 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.477 -19.250 1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.709 -17.217 -0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.060 -17.810 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.489 -19.291 -1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.916 -20.102 -0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.513 -19.528 -0.600 1.00 0.00 H new ATOM 42 N THR A 3 -7.289 -14.357 4.105 1.00 0.00 N ATOM 43 CA THR A 3 -8.664 -13.854 3.820 1.00 0.00 C ATOM 44 C THR A 3 -8.740 -12.339 3.998 1.00 0.00 C ATOM 45 O THR A 3 -9.639 -11.683 3.513 1.00 0.00 O ATOM 46 CB THR A 3 -9.532 -14.539 4.870 1.00 0.00 C ATOM 47 OG1 THR A 3 -8.841 -14.557 6.111 1.00 0.00 O ATOM 48 CG2 THR A 3 -9.838 -15.970 4.435 1.00 0.00 C ATOM 0 H THR A 3 -6.863 -13.990 4.956 1.00 0.00 H new ATOM 0 HA THR A 3 -8.975 -14.065 2.797 1.00 0.00 H new ATOM 0 HB THR A 3 -10.468 -13.991 4.979 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.186 -15.286 6.110 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.458 -16.455 5.189 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.369 -15.955 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.906 -16.523 4.322 1.00 0.00 H new ATOM 56 N ALA A 4 -7.813 -11.793 4.716 1.00 0.00 N ATOM 57 CA ALA A 4 -7.812 -10.328 4.970 1.00 0.00 C ATOM 58 C ALA A 4 -6.625 -9.970 5.870 1.00 0.00 C ATOM 59 O ALA A 4 -6.104 -8.878 5.821 1.00 0.00 O ATOM 60 CB ALA A 4 -9.139 -10.076 5.667 1.00 0.00 C ATOM 0 H ALA A 4 -7.042 -12.303 5.147 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.710 -9.724 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.233 -9.015 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.957 -10.379 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.180 -10.653 6.591 1.00 0.00 H new ATOM 66 N TYR A 5 -6.202 -10.918 6.671 1.00 0.00 N ATOM 67 CA TYR A 5 -5.031 -10.750 7.585 1.00 0.00 C ATOM 68 C TYR A 5 -3.827 -10.100 6.871 1.00 0.00 C ATOM 69 O TYR A 5 -3.960 -9.159 6.125 1.00 0.00 O ATOM 70 CB TYR A 5 -4.691 -12.206 7.927 1.00 0.00 C ATOM 71 CG TYR A 5 -4.012 -12.868 6.727 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.286 -12.434 5.412 1.00 0.00 C ATOM 73 CD2 TYR A 5 -3.087 -13.901 6.931 1.00 0.00 C ATOM 74 CE1 TYR A 5 -3.642 -13.026 4.322 1.00 0.00 C ATOM 75 CE2 TYR A 5 -2.445 -14.496 5.836 1.00 0.00 C ATOM 76 CZ TYR A 5 -2.719 -14.058 4.533 1.00 0.00 C ATOM 77 OH TYR A 5 -2.082 -14.645 3.459 1.00 0.00 O ATOM 0 H TYR A 5 -6.640 -11.837 6.729 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.250 -10.108 8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.034 -12.242 8.796 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.598 -12.750 8.191 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.998 -11.639 5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.869 -14.239 7.933 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.856 -12.688 3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.736 -15.295 5.997 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.474 -15.343 3.781 1.00 0.00 H new ATOM 87 N ASP A 6 -2.648 -10.639 7.101 1.00 0.00 N ATOM 88 CA ASP A 6 -1.406 -10.132 6.447 1.00 0.00 C ATOM 89 C ASP A 6 -1.722 -9.416 5.136 1.00 0.00 C ATOM 90 O ASP A 6 -1.406 -8.259 4.945 1.00 0.00 O ATOM 91 CB ASP A 6 -0.630 -11.413 6.145 1.00 0.00 C ATOM 92 CG ASP A 6 0.667 -11.067 5.411 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.586 -10.433 4.372 1.00 0.00 O ATOM 94 OD2 ASP A 6 1.719 -11.442 5.901 1.00 0.00 O ATOM 0 H ASP A 6 -2.498 -11.427 7.731 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.870 -9.416 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.405 -11.941 7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.237 -12.083 5.536 1.00 0.00 H new ATOM 99 N VAL A 7 -2.341 -10.116 4.230 1.00 0.00 N ATOM 100 CA VAL A 7 -2.687 -9.518 2.916 1.00 0.00 C ATOM 101 C VAL A 7 -3.790 -8.482 3.063 1.00 0.00 C ATOM 102 O VAL A 7 -4.578 -8.527 3.985 1.00 0.00 O ATOM 103 CB VAL A 7 -3.200 -10.671 2.068 1.00 0.00 C ATOM 104 CG1 VAL A 7 -3.462 -10.170 0.656 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.155 -11.767 2.008 1.00 0.00 C ATOM 0 H VAL A 7 -2.625 -11.089 4.347 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.824 -9.019 2.475 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.117 -11.062 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.830 -10.991 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.207 -9.375 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.536 -9.784 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.527 -12.591 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.240 -11.373 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.946 -12.126 3.016 1.00 0.00 H new ATOM 115 N ILE A 8 -3.856 -7.579 2.126 1.00 0.00 N ATOM 116 CA ILE A 8 -4.917 -6.520 2.134 1.00 0.00 C ATOM 117 C ILE A 8 -5.441 -6.266 3.555 1.00 0.00 C ATOM 118 O ILE A 8 -6.630 -6.297 3.800 1.00 0.00 O ATOM 119 CB ILE A 8 -6.028 -7.092 1.252 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.441 -7.642 -0.047 1.00 0.00 C ATOM 121 CG2 ILE A 8 -7.019 -5.986 0.901 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.466 -8.568 -0.702 1.00 0.00 C ATOM 0 H ILE A 8 -3.210 -7.525 1.338 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.540 -5.562 1.775 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.528 -7.892 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.187 -6.824 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.518 -8.185 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.811 -6.393 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.453 -5.583 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.502 -5.191 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.056 -8.966 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.698 -9.391 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.376 -8.009 -0.918 1.00 0.00 H new ATOM 134 N LEU A 9 -4.560 -6.037 4.493 1.00 0.00 N ATOM 135 CA LEU A 9 -5.004 -5.805 5.903 1.00 0.00 C ATOM 136 C LEU A 9 -6.201 -4.845 5.959 1.00 0.00 C ATOM 137 O LEU A 9 -7.331 -5.242 5.750 1.00 0.00 O ATOM 138 CB LEU A 9 -3.787 -5.203 6.611 1.00 0.00 C ATOM 139 CG LEU A 9 -2.620 -6.189 6.549 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.316 -5.425 6.317 1.00 0.00 C ATOM 141 CD2 LEU A 9 -2.532 -6.956 7.870 1.00 0.00 C ATOM 0 H LEU A 9 -3.551 -6.000 4.346 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.337 -6.728 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.507 -4.262 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.032 -4.978 7.649 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.780 -6.890 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.485 -6.129 6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.378 -4.877 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.155 -4.724 7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.700 -7.659 7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.372 -6.254 8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.461 -7.502 8.036 1.00 0.00 H new ATOM 153 N ALA A 10 -5.973 -3.592 6.255 1.00 0.00 N ATOM 154 CA ALA A 10 -7.111 -2.629 6.337 1.00 0.00 C ATOM 155 C ALA A 10 -7.222 -1.807 5.050 1.00 0.00 C ATOM 156 O ALA A 10 -6.242 -1.578 4.369 1.00 0.00 O ATOM 157 CB ALA A 10 -6.775 -1.722 7.521 1.00 0.00 C ATOM 0 H ALA A 10 -5.052 -3.195 6.443 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.066 -3.138 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.566 -0.983 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.690 -2.323 8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.830 -1.213 7.333 1.00 0.00 H new ATOM 163 N PRO A 11 -8.426 -1.392 4.763 1.00 0.00 N ATOM 164 CA PRO A 11 -8.687 -0.585 3.549 1.00 0.00 C ATOM 165 C PRO A 11 -8.224 0.859 3.755 1.00 0.00 C ATOM 166 O PRO A 11 -8.176 1.353 4.865 1.00 0.00 O ATOM 167 CB PRO A 11 -10.203 -0.648 3.399 1.00 0.00 C ATOM 168 CG PRO A 11 -10.725 -0.910 4.777 1.00 0.00 C ATOM 169 CD PRO A 11 -9.646 -1.638 5.539 1.00 0.00 C ATOM 0 HA PRO A 11 -8.158 -0.952 2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.598 0.286 3.000 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.498 -1.439 2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.981 0.025 5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.635 -1.508 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.553 -1.259 6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.862 -2.704 5.614 1.00 0.00 H new ATOM 177 N VAL A 12 -7.889 1.541 2.695 1.00 0.00 N ATOM 178 CA VAL A 12 -7.435 2.956 2.831 1.00 0.00 C ATOM 179 C VAL A 12 -8.430 3.894 2.147 1.00 0.00 C ATOM 180 O VAL A 12 -8.480 3.987 0.936 1.00 0.00 O ATOM 181 CB VAL A 12 -6.074 3.011 2.132 1.00 0.00 C ATOM 182 CG1 VAL A 12 -6.141 2.237 0.814 1.00 0.00 C ATOM 183 CG2 VAL A 12 -5.707 4.469 1.844 1.00 0.00 C ATOM 0 H VAL A 12 -7.909 1.181 1.741 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.366 3.269 3.873 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.319 2.564 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.171 2.278 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.402 1.198 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.897 2.683 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.738 4.509 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.465 4.914 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.657 5.023 2.781 1.00 0.00 H new ATOM 193 N LEU A 13 -9.222 4.593 2.912 1.00 0.00 N ATOM 194 CA LEU A 13 -10.212 5.525 2.302 1.00 0.00 C ATOM 195 C LEU A 13 -9.708 6.967 2.400 1.00 0.00 C ATOM 196 O LEU A 13 -9.703 7.563 3.458 1.00 0.00 O ATOM 197 CB LEU A 13 -11.487 5.343 3.126 1.00 0.00 C ATOM 198 CG LEU A 13 -12.020 3.918 2.948 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.982 3.531 1.468 1.00 0.00 C ATOM 200 CD2 LEU A 13 -11.150 2.946 3.749 1.00 0.00 C ATOM 0 H LEU A 13 -9.227 4.560 3.931 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.379 5.319 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.281 5.535 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.241 6.065 2.811 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.048 3.872 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.362 2.517 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.602 4.221 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.955 3.579 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.528 1.931 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.122 2.997 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.180 3.216 4.805 1.00 0.00 H new ATOM 212 N SER A 14 -9.284 7.531 1.303 1.00 0.00 N ATOM 213 CA SER A 14 -8.782 8.934 1.331 1.00 0.00 C ATOM 214 C SER A 14 -9.348 9.721 0.147 1.00 0.00 C ATOM 215 O SER A 14 -10.115 9.207 -0.642 1.00 0.00 O ATOM 216 CB SER A 14 -7.262 8.813 1.218 1.00 0.00 C ATOM 217 OG SER A 14 -6.864 7.510 1.623 1.00 0.00 O ATOM 0 H SER A 14 -9.263 7.081 0.388 1.00 0.00 H new ATOM 0 HA SER A 14 -9.082 9.463 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.946 9.000 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.778 9.564 1.842 1.00 0.00 H new ATOM 0 HG SER A 14 -5.890 7.428 1.550 1.00 0.00 H new ATOM 223 N GLU A 15 -8.975 10.964 0.017 1.00 0.00 N ATOM 224 CA GLU A 15 -9.492 11.782 -1.117 1.00 0.00 C ATOM 225 C GLU A 15 -9.151 11.113 -2.452 1.00 0.00 C ATOM 226 O GLU A 15 -10.019 10.653 -3.166 1.00 0.00 O ATOM 227 CB GLU A 15 -8.776 13.127 -0.992 1.00 0.00 C ATOM 228 CG GLU A 15 -9.112 13.760 0.361 1.00 0.00 C ATOM 229 CD GLU A 15 -7.857 14.410 0.946 1.00 0.00 C ATOM 230 OE1 GLU A 15 -7.038 14.876 0.170 1.00 0.00 O ATOM 231 OE2 GLU A 15 -7.736 14.432 2.160 1.00 0.00 O ATOM 0 H GLU A 15 -8.335 11.449 0.646 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.576 11.892 -1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.699 12.987 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.081 13.790 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.898 14.505 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.494 13.002 1.044 1.00 0.00 H new ATOM 238 N LYS A 16 -7.892 11.057 -2.794 1.00 0.00 N ATOM 239 CA LYS A 16 -7.498 10.422 -4.080 1.00 0.00 C ATOM 240 C LYS A 16 -8.050 8.996 -4.161 1.00 0.00 C ATOM 241 O LYS A 16 -8.594 8.587 -5.167 1.00 0.00 O ATOM 242 CB LYS A 16 -5.969 10.407 -4.062 1.00 0.00 C ATOM 243 CG LYS A 16 -5.436 10.995 -5.370 1.00 0.00 C ATOM 244 CD LYS A 16 -3.959 11.356 -5.204 1.00 0.00 C ATOM 245 CE LYS A 16 -3.177 10.873 -6.428 1.00 0.00 C ATOM 246 NZ LYS A 16 -2.974 9.414 -6.202 1.00 0.00 N ATOM 0 H LYS A 16 -7.121 11.424 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.890 10.961 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.599 10.984 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.606 9.387 -3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.556 10.276 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.009 11.881 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.847 12.434 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.560 10.897 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.731 11.057 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.224 11.395 -6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.143 9.092 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.822 9.238 -5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.815 8.893 -6.522 1.00 0.00 H new ATOM 260 N ALA A 17 -7.913 8.236 -3.109 1.00 0.00 N ATOM 261 CA ALA A 17 -8.432 6.838 -3.125 1.00 0.00 C ATOM 262 C ALA A 17 -9.923 6.833 -3.464 1.00 0.00 C ATOM 263 O ALA A 17 -10.374 6.093 -4.316 1.00 0.00 O ATOM 264 CB ALA A 17 -8.210 6.314 -1.706 1.00 0.00 C ATOM 0 H ALA A 17 -7.464 8.522 -2.239 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.930 6.222 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.568 5.287 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.146 6.344 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.757 6.937 -0.998 1.00 0.00 H new ATOM 270 N TYR A 18 -10.692 7.652 -2.802 1.00 0.00 N ATOM 271 CA TYR A 18 -12.154 7.693 -3.085 1.00 0.00 C ATOM 272 C TYR A 18 -12.396 8.023 -4.557 1.00 0.00 C ATOM 273 O TYR A 18 -13.340 7.555 -5.162 1.00 0.00 O ATOM 274 CB TYR A 18 -12.705 8.798 -2.183 1.00 0.00 C ATOM 275 CG TYR A 18 -13.142 8.194 -0.872 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.866 6.998 -0.865 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.819 8.824 0.334 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.269 6.428 0.348 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.221 8.257 1.550 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.946 7.059 1.556 1.00 0.00 C ATOM 281 OH TYR A 18 -14.342 6.499 2.754 1.00 0.00 O ATOM 0 H TYR A 18 -10.372 8.295 -2.078 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.640 6.736 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.943 9.558 -2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.546 9.294 -2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.115 6.513 -1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.260 9.748 0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.828 5.504 0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.972 8.743 2.482 1.00 0.00 H new ATOM 0 HH TYR A 18 -15.159 6.940 3.067 1.00 0.00 H new ATOM 291 N ALA A 19 -11.547 8.820 -5.139 1.00 0.00 N ATOM 292 CA ALA A 19 -11.727 9.172 -6.575 1.00 0.00 C ATOM 293 C ALA A 19 -10.978 8.167 -7.455 1.00 0.00 C ATOM 294 O ALA A 19 -11.117 8.153 -8.661 1.00 0.00 O ATOM 295 CB ALA A 19 -11.131 10.571 -6.722 1.00 0.00 C ATOM 0 H ALA A 19 -10.737 9.243 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.773 9.148 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.227 10.900 -7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.663 11.264 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.077 10.549 -6.444 1.00 0.00 H new ATOM 301 N GLY A 20 -10.190 7.319 -6.852 1.00 0.00 N ATOM 302 CA GLY A 20 -9.434 6.300 -7.635 1.00 0.00 C ATOM 303 C GLY A 20 -10.129 4.957 -7.469 1.00 0.00 C ATOM 304 O GLY A 20 -10.240 4.179 -8.395 1.00 0.00 O ATOM 0 H GLY A 20 -10.036 7.288 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.397 6.581 -8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.404 6.240 -7.285 1.00 0.00 H new ATOM 308 N PHE A 21 -10.615 4.689 -6.292 1.00 0.00 N ATOM 309 CA PHE A 21 -11.324 3.407 -6.058 1.00 0.00 C ATOM 310 C PHE A 21 -12.714 3.484 -6.702 1.00 0.00 C ATOM 311 O PHE A 21 -13.363 2.486 -6.944 1.00 0.00 O ATOM 312 CB PHE A 21 -11.399 3.286 -4.522 1.00 0.00 C ATOM 313 CG PHE A 21 -12.795 3.587 -4.024 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.289 4.893 -4.085 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.592 2.561 -3.509 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.581 5.174 -3.632 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.884 2.840 -3.054 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.381 4.147 -3.115 1.00 0.00 C ATOM 0 H PHE A 21 -10.551 5.305 -5.481 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.829 2.539 -6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.109 2.280 -4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.689 3.975 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.672 5.685 -4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.210 1.552 -3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.963 6.183 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.499 2.047 -2.655 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.379 4.363 -2.764 1.00 0.00 H new ATOM 328 N ALA A 22 -13.168 4.678 -6.967 1.00 0.00 N ATOM 329 CA ALA A 22 -14.507 4.861 -7.581 1.00 0.00 C ATOM 330 C ALA A 22 -14.605 4.098 -8.905 1.00 0.00 C ATOM 331 O ALA A 22 -15.682 3.802 -9.386 1.00 0.00 O ATOM 332 CB ALA A 22 -14.620 6.365 -7.819 1.00 0.00 C ATOM 0 H ALA A 22 -12.660 5.543 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.307 4.481 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.585 6.590 -8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.535 6.891 -6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.821 6.689 -8.486 1.00 0.00 H new ATOM 338 N GLU A 23 -13.488 3.783 -9.497 1.00 0.00 N ATOM 339 CA GLU A 23 -13.506 3.043 -10.793 1.00 0.00 C ATOM 340 C GLU A 23 -13.522 1.535 -10.536 1.00 0.00 C ATOM 341 O GLU A 23 -13.210 0.744 -11.403 1.00 0.00 O ATOM 342 CB GLU A 23 -12.207 3.447 -11.492 1.00 0.00 C ATOM 343 CG GLU A 23 -12.480 3.689 -12.978 1.00 0.00 C ATOM 344 CD GLU A 23 -11.346 4.523 -13.576 1.00 0.00 C ATOM 345 OE1 GLU A 23 -10.846 5.393 -12.881 1.00 0.00 O ATOM 346 OE2 GLU A 23 -10.997 4.280 -14.720 1.00 0.00 O ATOM 0 H GLU A 23 -12.559 4.006 -9.140 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.386 3.277 -11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.801 4.349 -11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.458 2.664 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.562 2.737 -13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.431 4.206 -13.104 1.00 0.00 H new ATOM 353 N GLY A 24 -13.862 1.133 -9.343 1.00 0.00 N ATOM 354 CA GLY A 24 -13.876 -0.312 -9.022 1.00 0.00 C ATOM 355 C GLY A 24 -12.522 -0.696 -8.423 1.00 0.00 C ATOM 356 O GLY A 24 -12.277 -1.836 -8.085 1.00 0.00 O ATOM 0 H GLY A 24 -14.131 1.750 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.677 -0.535 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.071 -0.897 -9.921 1.00 0.00 H new ATOM 360 N LYS A 25 -11.643 0.262 -8.287 1.00 0.00 N ATOM 361 CA LYS A 25 -10.302 -0.017 -7.708 1.00 0.00 C ATOM 362 C LYS A 25 -10.392 -0.008 -6.180 1.00 0.00 C ATOM 363 O LYS A 25 -11.131 0.762 -5.605 1.00 0.00 O ATOM 364 CB LYS A 25 -9.431 1.138 -8.209 1.00 0.00 C ATOM 365 CG LYS A 25 -9.129 0.937 -9.695 1.00 0.00 C ATOM 366 CD LYS A 25 -8.801 2.284 -10.339 1.00 0.00 C ATOM 367 CE LYS A 25 -8.681 2.108 -11.854 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.866 3.266 -12.312 1.00 0.00 N ATOM 0 H LYS A 25 -11.801 1.233 -8.556 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.901 -0.988 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.943 2.088 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.502 1.181 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.291 0.251 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.986 0.484 -10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.580 3.010 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.869 2.676 -9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.200 1.163 -12.105 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.662 2.103 -12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.740 3.216 -13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.352 4.152 -12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.936 3.241 -11.848 1.00 0.00 H new ATOM 382 N TYR A 26 -9.666 -0.857 -5.509 1.00 0.00 N ATOM 383 CA TYR A 26 -9.744 -0.866 -4.019 1.00 0.00 C ATOM 384 C TYR A 26 -8.352 -0.771 -3.395 1.00 0.00 C ATOM 385 O TYR A 26 -7.650 -1.753 -3.270 1.00 0.00 O ATOM 386 CB TYR A 26 -10.413 -2.188 -3.654 1.00 0.00 C ATOM 387 CG TYR A 26 -11.816 -2.222 -4.217 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.581 -1.050 -4.272 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.352 -3.429 -4.681 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.880 -1.085 -4.792 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.652 -3.464 -5.200 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.415 -2.292 -5.255 1.00 0.00 C ATOM 393 OH TYR A 26 -15.697 -2.328 -5.766 1.00 0.00 O ATOM 0 H TYR A 26 -9.028 -1.539 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.306 -0.011 -3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.832 -3.022 -4.049 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.443 -2.305 -2.571 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.168 -0.119 -3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.763 -4.333 -4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.469 -0.181 -4.836 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.066 -4.395 -5.558 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.759 -3.033 -6.444 1.00 0.00 H new ATOM 403 N THR A 27 -7.969 0.403 -2.977 1.00 0.00 N ATOM 404 CA THR A 27 -6.644 0.582 -2.336 1.00 0.00 C ATOM 405 C THR A 27 -6.700 0.010 -0.923 1.00 0.00 C ATOM 406 O THR A 27 -7.583 0.325 -0.150 1.00 0.00 O ATOM 407 CB THR A 27 -6.416 2.095 -2.303 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.894 2.668 -3.512 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.923 2.385 -2.155 1.00 0.00 C ATOM 0 H THR A 27 -8.527 1.254 -3.055 1.00 0.00 H new ATOM 0 HA THR A 27 -5.839 0.074 -2.867 1.00 0.00 H new ATOM 0 HB THR A 27 -6.952 2.526 -1.457 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.751 3.637 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.762 3.463 -2.132 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.557 1.943 -1.228 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.384 1.956 -2.999 1.00 0.00 H new ATOM 417 N PHE A 28 -5.789 -0.852 -0.591 1.00 0.00 N ATOM 418 CA PHE A 28 -5.817 -1.472 0.759 1.00 0.00 C ATOM 419 C PHE A 28 -4.445 -1.408 1.423 1.00 0.00 C ATOM 420 O PHE A 28 -3.442 -1.189 0.781 1.00 0.00 O ATOM 421 CB PHE A 28 -6.214 -2.924 0.507 1.00 0.00 C ATOM 422 CG PHE A 28 -7.452 -3.244 1.301 1.00 0.00 C ATOM 423 CD1 PHE A 28 -7.367 -3.406 2.688 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.686 -3.372 0.653 1.00 0.00 C ATOM 425 CE1 PHE A 28 -8.517 -3.695 3.429 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.837 -3.664 1.393 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.752 -3.824 2.782 1.00 0.00 C ATOM 0 H PHE A 28 -5.025 -1.156 -1.195 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.506 -0.957 1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.398 -3.084 -0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.401 -3.591 0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.414 -3.308 3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.750 -3.245 -0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.453 -3.819 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.789 -3.766 0.894 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.640 -4.047 3.355 1.00 0.00 H new ATOM 437 N TRP A 29 -4.400 -1.642 2.702 1.00 0.00 N ATOM 438 CA TRP A 29 -3.105 -1.648 3.421 1.00 0.00 C ATOM 439 C TRP A 29 -2.722 -3.102 3.578 1.00 0.00 C ATOM 440 O TRP A 29 -3.493 -3.896 4.075 1.00 0.00 O ATOM 441 CB TRP A 29 -3.378 -1.001 4.780 1.00 0.00 C ATOM 442 CG TRP A 29 -3.426 0.485 4.628 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.499 1.261 4.909 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.378 1.386 4.167 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.175 2.581 4.649 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.879 2.708 4.191 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.055 1.185 3.737 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.094 3.794 3.800 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.262 2.275 3.342 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.781 3.577 3.374 1.00 0.00 C ATOM 0 H TRP A 29 -5.216 -1.831 3.284 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.304 -1.112 2.913 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.322 -1.366 5.185 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.599 -1.279 5.489 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.451 0.908 5.276 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.815 3.364 4.780 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.646 0.186 3.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.499 4.795 3.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.753 2.109 3.012 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.167 4.411 3.070 1.00 0.00 H new ATOM 461 N VAL A 30 -1.586 -3.491 3.109 1.00 0.00 N ATOM 462 CA VAL A 30 -1.253 -4.922 3.199 1.00 0.00 C ATOM 463 C VAL A 30 0.225 -5.149 3.503 1.00 0.00 C ATOM 464 O VAL A 30 1.048 -4.263 3.389 1.00 0.00 O ATOM 465 CB VAL A 30 -1.630 -5.456 1.821 1.00 0.00 C ATOM 466 CG1 VAL A 30 -1.109 -4.519 0.728 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.023 -6.821 1.639 1.00 0.00 C ATOM 0 H VAL A 30 -0.884 -2.893 2.674 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.778 -5.424 4.011 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.716 -5.516 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.385 -4.912 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.547 -3.529 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.024 -4.447 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.289 -7.209 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.062 -6.751 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.402 -7.493 2.409 1.00 0.00 H new ATOM 477 N HIS A 31 0.549 -6.344 3.900 1.00 0.00 N ATOM 478 CA HIS A 31 1.959 -6.683 4.233 1.00 0.00 C ATOM 479 C HIS A 31 2.840 -6.601 2.985 1.00 0.00 C ATOM 480 O HIS A 31 2.386 -6.848 1.886 1.00 0.00 O ATOM 481 CB HIS A 31 1.889 -8.124 4.740 1.00 0.00 C ATOM 482 CG HIS A 31 2.905 -8.325 5.831 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.092 -7.403 6.848 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.796 -9.340 6.077 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.061 -7.876 7.652 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.525 -9.054 7.228 1.00 0.00 N ATOM 0 H HIS A 31 -0.112 -7.113 4.010 1.00 0.00 H new ATOM 0 HA HIS A 31 2.390 -6.000 4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.889 -8.340 5.116 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.078 -8.818 3.921 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.914 -10.226 5.470 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.420 -7.365 8.533 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.256 -9.622 7.655 1.00 0.00 H new ATOM 494 N PRO A 32 4.082 -6.267 3.205 1.00 0.00 N ATOM 495 CA PRO A 32 5.051 -6.165 2.089 1.00 0.00 C ATOM 496 C PRO A 32 5.412 -7.564 1.601 1.00 0.00 C ATOM 497 O PRO A 32 6.523 -8.028 1.774 1.00 0.00 O ATOM 498 CB PRO A 32 6.256 -5.487 2.723 1.00 0.00 C ATOM 499 CG PRO A 32 6.159 -5.809 4.180 1.00 0.00 C ATOM 500 CD PRO A 32 4.694 -5.959 4.501 1.00 0.00 C ATOM 0 HA PRO A 32 4.671 -5.617 1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.188 -5.860 2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.237 -4.410 2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.700 -6.727 4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.606 -5.017 4.781 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.522 -6.756 5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.283 -5.045 4.931 1.00 0.00 H new ATOM 508 N LYS A 33 4.476 -8.249 1.017 1.00 0.00 N ATOM 509 CA LYS A 33 4.752 -9.631 0.543 1.00 0.00 C ATOM 510 C LYS A 33 3.499 -10.225 -0.099 1.00 0.00 C ATOM 511 O LYS A 33 3.579 -11.013 -1.019 1.00 0.00 O ATOM 512 CB LYS A 33 5.125 -10.409 1.807 1.00 0.00 C ATOM 513 CG LYS A 33 4.171 -10.030 2.948 1.00 0.00 C ATOM 514 CD LYS A 33 3.413 -11.275 3.414 1.00 0.00 C ATOM 515 CE LYS A 33 4.357 -12.181 4.208 1.00 0.00 C ATOM 516 NZ LYS A 33 4.437 -13.440 3.415 1.00 0.00 N ATOM 0 H LYS A 33 3.528 -7.912 0.846 1.00 0.00 H new ATOM 0 HA LYS A 33 5.541 -9.665 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.071 -11.481 1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.154 -10.188 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.732 -9.601 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.468 -9.268 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.563 -10.986 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.013 -11.813 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.340 -11.724 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.973 -12.369 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.720 -14.224 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.507 -13.647 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.140 -13.328 2.657 1.00 0.00 H new ATOM 530 N ALA A 34 2.342 -9.848 0.382 1.00 0.00 N ATOM 531 CA ALA A 34 1.075 -10.384 -0.197 1.00 0.00 C ATOM 532 C ALA A 34 1.184 -10.443 -1.724 1.00 0.00 C ATOM 533 O ALA A 34 0.908 -9.481 -2.413 1.00 0.00 O ATOM 534 CB ALA A 34 0.000 -9.382 0.221 1.00 0.00 C ATOM 0 H ALA A 34 2.221 -9.191 1.152 1.00 0.00 H new ATOM 0 HA ALA A 34 0.851 -11.393 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.967 -9.703 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.044 -9.328 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.243 -8.399 -0.181 1.00 0.00 H new ATOM 540 N THR A 35 1.595 -11.559 -2.258 1.00 0.00 N ATOM 541 CA THR A 35 1.735 -11.673 -3.739 1.00 0.00 C ATOM 542 C THR A 35 0.500 -11.099 -4.437 1.00 0.00 C ATOM 543 O THR A 35 -0.614 -11.259 -3.975 1.00 0.00 O ATOM 544 CB THR A 35 1.859 -13.172 -4.012 1.00 0.00 C ATOM 545 OG1 THR A 35 1.207 -13.896 -2.978 1.00 0.00 O ATOM 546 CG2 THR A 35 3.337 -13.562 -4.057 1.00 0.00 C ATOM 0 H THR A 35 1.841 -12.399 -1.734 1.00 0.00 H new ATOM 0 HA THR A 35 2.595 -11.118 -4.114 1.00 0.00 H new ATOM 0 HB THR A 35 1.394 -13.408 -4.969 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.875 -14.370 -2.439 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.426 -14.631 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.836 -13.006 -4.851 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.804 -13.327 -3.101 1.00 0.00 H new ATOM 554 N LYS A 36 0.687 -10.434 -5.546 1.00 0.00 N ATOM 555 CA LYS A 36 -0.478 -9.854 -6.272 1.00 0.00 C ATOM 556 C LYS A 36 -1.624 -10.865 -6.297 1.00 0.00 C ATOM 557 O LYS A 36 -2.779 -10.515 -6.155 1.00 0.00 O ATOM 558 CB LYS A 36 0.029 -9.579 -7.688 1.00 0.00 C ATOM 559 CG LYS A 36 0.727 -8.217 -7.723 1.00 0.00 C ATOM 560 CD LYS A 36 -0.070 -7.257 -8.609 1.00 0.00 C ATOM 561 CE LYS A 36 0.141 -5.819 -8.127 1.00 0.00 C ATOM 562 NZ LYS A 36 0.510 -5.055 -9.351 1.00 0.00 N ATOM 0 H LYS A 36 1.595 -10.268 -5.979 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.856 -8.948 -5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.721 -10.363 -7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.802 -9.592 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.810 -7.813 -6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.741 -8.326 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.249 -7.354 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.130 -7.511 -8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.764 -5.419 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.929 -5.766 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.671 -4.058 -9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.378 -5.454 -9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.262 -5.118 -10.046 1.00 0.00 H new ATOM 576 N THR A 37 -1.312 -12.121 -6.465 1.00 0.00 N ATOM 577 CA THR A 37 -2.382 -13.156 -6.485 1.00 0.00 C ATOM 578 C THR A 37 -2.916 -13.368 -5.067 1.00 0.00 C ATOM 579 O THR A 37 -4.093 -13.585 -4.862 1.00 0.00 O ATOM 580 CB THR A 37 -1.703 -14.413 -7.014 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.650 -14.356 -8.433 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.481 -15.658 -6.581 1.00 0.00 C ATOM 0 H THR A 37 -0.363 -12.474 -6.589 1.00 0.00 H new ATOM 0 HA THR A 37 -3.234 -12.876 -7.105 1.00 0.00 H new ATOM 0 HB THR A 37 -0.693 -14.470 -6.608 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.212 -15.163 -8.777 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.985 -16.549 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.517 -15.704 -5.493 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.496 -15.609 -6.976 1.00 0.00 H new ATOM 590 N GLU A 38 -2.061 -13.296 -4.083 1.00 0.00 N ATOM 591 CA GLU A 38 -2.534 -13.480 -2.683 1.00 0.00 C ATOM 592 C GLU A 38 -3.588 -12.420 -2.365 1.00 0.00 C ATOM 593 O GLU A 38 -4.617 -12.705 -1.787 1.00 0.00 O ATOM 594 CB GLU A 38 -1.293 -13.291 -1.810 1.00 0.00 C ATOM 595 CG GLU A 38 -0.818 -14.651 -1.295 1.00 0.00 C ATOM 596 CD GLU A 38 -1.371 -14.886 0.113 1.00 0.00 C ATOM 597 OE1 GLU A 38 -2.548 -15.184 0.224 1.00 0.00 O ATOM 598 OE2 GLU A 38 -0.606 -14.762 1.055 1.00 0.00 O ATOM 0 H GLU A 38 -1.062 -13.119 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.990 -14.456 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.501 -12.811 -2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.522 -12.633 -0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.153 -15.443 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.271 -14.686 -1.280 1.00 0.00 H new ATOM 605 N ILE A 39 -3.343 -11.202 -2.761 1.00 0.00 N ATOM 606 CA ILE A 39 -4.338 -10.124 -2.506 1.00 0.00 C ATOM 607 C ILE A 39 -5.668 -10.520 -3.149 1.00 0.00 C ATOM 608 O ILE A 39 -6.733 -10.171 -2.680 1.00 0.00 O ATOM 609 CB ILE A 39 -3.747 -8.880 -3.177 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.682 -8.274 -2.260 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.847 -7.845 -3.428 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.680 -7.478 -3.095 1.00 0.00 C ATOM 0 H ILE A 39 -2.498 -10.907 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.528 -9.948 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.301 -9.164 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.151 -7.625 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.168 -9.063 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.416 -6.965 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.609 -8.274 -4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.300 -7.558 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.922 -7.047 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.202 -8.139 -3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.200 -6.679 -3.623 1.00 0.00 H new ATOM 624 N LYS A 40 -5.603 -11.259 -4.220 1.00 0.00 N ATOM 625 CA LYS A 40 -6.847 -11.702 -4.908 1.00 0.00 C ATOM 626 C LYS A 40 -7.643 -12.643 -4.002 1.00 0.00 C ATOM 627 O LYS A 40 -8.847 -12.543 -3.882 1.00 0.00 O ATOM 628 CB LYS A 40 -6.354 -12.462 -6.137 1.00 0.00 C ATOM 629 CG LYS A 40 -7.527 -12.735 -7.077 1.00 0.00 C ATOM 630 CD LYS A 40 -7.059 -12.606 -8.527 1.00 0.00 C ATOM 631 CE LYS A 40 -8.191 -13.025 -9.468 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.512 -13.714 -10.600 1.00 0.00 N ATOM 0 H LYS A 40 -4.735 -11.578 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.500 -10.867 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.589 -11.882 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.891 -13.401 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.924 -13.734 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.336 -12.031 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.761 -11.578 -8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.182 -13.232 -8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.896 -13.689 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.758 -12.161 -9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.223 -14.032 -11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.852 -13.056 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.986 -14.536 -10.241 1.00 0.00 H new ATOM 646 N ASN A 41 -6.971 -13.574 -3.387 1.00 0.00 N ATOM 647 CA ASN A 41 -7.672 -14.551 -2.507 1.00 0.00 C ATOM 648 C ASN A 41 -8.164 -13.901 -1.209 1.00 0.00 C ATOM 649 O ASN A 41 -9.300 -14.072 -0.826 1.00 0.00 O ATOM 650 CB ASN A 41 -6.623 -15.620 -2.199 1.00 0.00 C ATOM 651 CG ASN A 41 -6.744 -16.760 -3.211 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.735 -17.462 -3.239 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.767 -16.976 -4.050 1.00 0.00 N ATOM 0 H ASN A 41 -5.961 -13.702 -3.456 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.560 -14.955 -2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.624 -15.187 -2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.763 -16.001 -1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.836 -17.734 -4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.935 -16.387 -4.027 1.00 0.00 H new ATOM 660 N ALA A 42 -7.325 -13.174 -0.515 1.00 0.00 N ATOM 661 CA ALA A 42 -7.775 -12.559 0.772 1.00 0.00 C ATOM 662 C ALA A 42 -9.004 -11.665 0.553 1.00 0.00 C ATOM 663 O ALA A 42 -10.003 -11.794 1.230 1.00 0.00 O ATOM 664 CB ALA A 42 -6.585 -11.726 1.263 1.00 0.00 C ATOM 0 H ALA A 42 -6.359 -12.981 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.069 -13.318 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.843 -11.244 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.723 -12.376 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.342 -10.965 0.521 1.00 0.00 H new ATOM 670 N VAL A 43 -8.946 -10.766 -0.386 1.00 0.00 N ATOM 671 CA VAL A 43 -10.116 -9.875 -0.637 1.00 0.00 C ATOM 672 C VAL A 43 -11.354 -10.712 -1.002 1.00 0.00 C ATOM 673 O VAL A 43 -12.455 -10.428 -0.572 1.00 0.00 O ATOM 674 CB VAL A 43 -9.668 -8.965 -1.801 1.00 0.00 C ATOM 675 CG1 VAL A 43 -10.597 -9.113 -3.015 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.692 -7.510 -1.336 1.00 0.00 C ATOM 0 H VAL A 43 -8.141 -10.607 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.402 -9.289 0.237 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.661 -9.260 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.254 -8.459 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.584 -10.147 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.613 -8.838 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.377 -6.862 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.703 -7.242 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.013 -7.386 -0.492 1.00 0.00 H new ATOM 686 N GLU A 44 -11.182 -11.731 -1.797 1.00 0.00 N ATOM 687 CA GLU A 44 -12.347 -12.574 -2.198 1.00 0.00 C ATOM 688 C GLU A 44 -12.927 -13.312 -0.985 1.00 0.00 C ATOM 689 O GLU A 44 -14.102 -13.610 -0.934 1.00 0.00 O ATOM 690 CB GLU A 44 -11.782 -13.570 -3.212 1.00 0.00 C ATOM 691 CG GLU A 44 -12.482 -13.380 -4.561 1.00 0.00 C ATOM 692 CD GLU A 44 -13.836 -14.092 -4.536 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.234 -14.530 -3.471 1.00 0.00 O ATOM 694 OE2 GLU A 44 -14.452 -14.187 -5.586 1.00 0.00 O ATOM 0 H GLU A 44 -10.285 -12.018 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.158 -11.977 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.708 -13.421 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.927 -14.590 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.621 -12.318 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.863 -13.780 -5.364 1.00 0.00 H new ATOM 701 N THR A 45 -12.113 -13.620 -0.012 1.00 0.00 N ATOM 702 CA THR A 45 -12.627 -14.349 1.186 1.00 0.00 C ATOM 703 C THR A 45 -13.610 -13.479 1.978 1.00 0.00 C ATOM 704 O THR A 45 -14.669 -13.926 2.371 1.00 0.00 O ATOM 705 CB THR A 45 -11.390 -14.645 2.035 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.913 -13.433 2.603 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.300 -15.272 1.165 1.00 0.00 C ATOM 0 H THR A 45 -11.117 -13.400 0.007 1.00 0.00 H new ATOM 0 HA THR A 45 -13.164 -15.254 0.903 1.00 0.00 H new ATOM 0 HB THR A 45 -11.653 -15.343 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.317 -12.986 1.967 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.422 -15.480 1.776 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.670 -16.202 0.732 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.030 -14.582 0.366 1.00 0.00 H new ATOM 715 N ALA A 46 -13.260 -12.248 2.231 1.00 0.00 N ATOM 716 CA ALA A 46 -14.168 -11.361 3.020 1.00 0.00 C ATOM 717 C ALA A 46 -15.178 -10.648 2.113 1.00 0.00 C ATOM 718 O ALA A 46 -16.374 -10.746 2.309 1.00 0.00 O ATOM 719 CB ALA A 46 -13.241 -10.343 3.683 1.00 0.00 C ATOM 0 H ALA A 46 -12.387 -11.817 1.927 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.754 -11.928 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.831 -9.651 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.528 -10.863 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.702 -9.788 2.915 1.00 0.00 H new ATOM 725 N PHE A 47 -14.712 -9.922 1.135 1.00 0.00 N ATOM 726 CA PHE A 47 -15.654 -9.192 0.235 1.00 0.00 C ATOM 727 C PHE A 47 -16.393 -10.168 -0.679 1.00 0.00 C ATOM 728 O PHE A 47 -17.445 -9.865 -1.207 1.00 0.00 O ATOM 729 CB PHE A 47 -14.762 -8.256 -0.580 1.00 0.00 C ATOM 730 CG PHE A 47 -13.860 -7.494 0.358 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.305 -7.173 1.646 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.581 -7.111 -0.058 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.468 -6.468 2.518 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.745 -6.406 0.815 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.189 -6.085 2.104 1.00 0.00 C ATOM 0 H PHE A 47 -13.722 -9.802 0.919 1.00 0.00 H new ATOM 0 HA PHE A 47 -16.421 -8.651 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -14.167 -8.828 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.373 -7.564 -1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.293 -7.469 1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.239 -7.359 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.810 -6.220 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.757 -6.109 0.495 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.543 -5.542 2.778 1.00 0.00 H new ATOM 745 N LYS A 48 -15.853 -11.336 -0.874 1.00 0.00 N ATOM 746 CA LYS A 48 -16.526 -12.330 -1.755 1.00 0.00 C ATOM 747 C LYS A 48 -16.928 -11.665 -3.064 1.00 0.00 C ATOM 748 O LYS A 48 -17.996 -11.896 -3.595 1.00 0.00 O ATOM 749 CB LYS A 48 -17.757 -12.794 -0.977 1.00 0.00 C ATOM 750 CG LYS A 48 -17.319 -13.392 0.362 1.00 0.00 C ATOM 751 CD LYS A 48 -18.550 -13.647 1.233 1.00 0.00 C ATOM 752 CE LYS A 48 -19.163 -12.311 1.656 1.00 0.00 C ATOM 753 NZ LYS A 48 -19.811 -12.584 2.968 1.00 0.00 N ATOM 0 H LYS A 48 -14.974 -11.647 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.878 -13.170 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.432 -11.955 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.308 -13.535 -1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.778 -14.324 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.635 -12.712 0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.282 -14.237 0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.272 -14.226 2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.400 -11.537 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.889 -11.960 0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.255 -11.713 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.537 -13.319 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.095 -12.910 3.648 1.00 0.00 H new ATOM 767 N VAL A 49 -16.071 -10.842 -3.585 1.00 0.00 N ATOM 768 CA VAL A 49 -16.378 -10.154 -4.862 1.00 0.00 C ATOM 769 C VAL A 49 -15.616 -10.826 -6.003 1.00 0.00 C ATOM 770 O VAL A 49 -15.142 -11.938 -5.877 1.00 0.00 O ATOM 771 CB VAL A 49 -15.917 -8.703 -4.638 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.547 -8.442 -5.280 1.00 0.00 C ATOM 773 CG2 VAL A 49 -16.951 -7.755 -5.233 1.00 0.00 C ATOM 0 H VAL A 49 -15.164 -10.614 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.433 -10.195 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.821 -8.534 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.253 -7.408 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.806 -9.110 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.608 -8.622 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.631 -6.724 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.049 -7.948 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.913 -7.914 -4.746 1.00 0.00 H new ATOM 783 N LYS A 50 -15.477 -10.155 -7.107 1.00 0.00 N ATOM 784 CA LYS A 50 -14.725 -10.754 -8.240 1.00 0.00 C ATOM 785 C LYS A 50 -13.455 -9.947 -8.498 1.00 0.00 C ATOM 786 O LYS A 50 -13.506 -8.810 -8.922 1.00 0.00 O ATOM 787 CB LYS A 50 -15.659 -10.688 -9.448 1.00 0.00 C ATOM 788 CG LYS A 50 -15.261 -11.781 -10.439 1.00 0.00 C ATOM 789 CD LYS A 50 -13.948 -11.396 -11.123 1.00 0.00 C ATOM 790 CE LYS A 50 -13.768 -12.231 -12.392 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.200 -13.526 -11.922 1.00 0.00 N ATOM 0 H LYS A 50 -15.850 -9.221 -7.275 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.424 -11.781 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.694 -10.823 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.595 -9.708 -9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.148 -12.733 -9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.046 -11.915 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.953 -10.335 -11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.111 -11.561 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.718 -12.379 -12.905 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.098 -11.739 -13.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.048 -14.154 -12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.293 -13.354 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.862 -13.975 -11.258 1.00 0.00 H new ATOM 805 N VAL A 51 -12.315 -10.524 -8.245 1.00 0.00 N ATOM 806 CA VAL A 51 -11.049 -9.783 -8.478 1.00 0.00 C ATOM 807 C VAL A 51 -10.736 -9.777 -9.971 1.00 0.00 C ATOM 808 O VAL A 51 -10.592 -10.810 -10.594 1.00 0.00 O ATOM 809 CB VAL A 51 -9.986 -10.550 -7.700 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.600 -10.042 -8.103 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.199 -10.325 -6.201 1.00 0.00 C ATOM 0 H VAL A 51 -12.206 -11.473 -7.888 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.101 -8.744 -8.154 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.061 -11.614 -7.923 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.837 -10.588 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.452 -10.197 -9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.522 -8.979 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.441 -10.872 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.119 -9.261 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.189 -10.682 -5.917 1.00 0.00 H new ATOM 821 N VAL A 52 -10.656 -8.617 -10.552 1.00 0.00 N ATOM 822 CA VAL A 52 -10.385 -8.526 -12.007 1.00 0.00 C ATOM 823 C VAL A 52 -9.025 -7.875 -12.260 1.00 0.00 C ATOM 824 O VAL A 52 -8.481 -7.944 -13.344 1.00 0.00 O ATOM 825 CB VAL A 52 -11.524 -7.666 -12.513 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.247 -7.189 -13.931 1.00 0.00 C ATOM 827 CG2 VAL A 52 -12.807 -8.490 -12.492 1.00 0.00 C ATOM 0 H VAL A 52 -10.768 -7.721 -10.077 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.338 -9.494 -12.507 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.626 -6.792 -11.870 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.077 -6.573 -14.276 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.329 -6.602 -13.944 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.136 -8.050 -14.590 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.636 -7.882 -12.854 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.689 -9.363 -13.134 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.014 -8.815 -11.472 1.00 0.00 H new ATOM 837 N LYS A 53 -8.469 -7.256 -11.259 1.00 0.00 N ATOM 838 CA LYS A 53 -7.138 -6.608 -11.420 1.00 0.00 C ATOM 839 C LYS A 53 -6.698 -5.982 -10.097 1.00 0.00 C ATOM 840 O LYS A 53 -7.309 -5.054 -9.603 1.00 0.00 O ATOM 841 CB LYS A 53 -7.337 -5.529 -12.481 1.00 0.00 C ATOM 842 CG LYS A 53 -6.606 -5.932 -13.764 1.00 0.00 C ATOM 843 CD LYS A 53 -5.980 -4.693 -14.407 1.00 0.00 C ATOM 844 CE LYS A 53 -6.488 -4.551 -15.844 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.820 -3.328 -16.370 1.00 0.00 N ATOM 0 H LYS A 53 -8.881 -7.170 -10.330 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.367 -7.321 -11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.400 -5.394 -12.683 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.958 -4.574 -12.119 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.833 -6.667 -13.539 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.302 -6.403 -14.459 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.234 -3.803 -13.831 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.893 -4.777 -14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.234 -5.427 -16.441 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.573 -4.451 -15.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.119 -3.165 -17.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.086 -2.509 -15.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.788 -3.455 -16.339 1.00 0.00 H new ATOM 859 N VAL A 54 -5.642 -6.478 -9.520 1.00 0.00 N ATOM 860 CA VAL A 54 -5.163 -5.908 -8.229 1.00 0.00 C ATOM 861 C VAL A 54 -3.811 -5.218 -8.436 1.00 0.00 C ATOM 862 O VAL A 54 -2.898 -5.779 -9.009 1.00 0.00 O ATOM 863 CB VAL A 54 -5.051 -7.113 -7.272 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.703 -7.114 -6.537 1.00 0.00 C ATOM 865 CG2 VAL A 54 -6.170 -7.032 -6.234 1.00 0.00 C ATOM 0 H VAL A 54 -5.089 -7.253 -9.885 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.835 -5.151 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.131 -8.026 -7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.653 -7.975 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.892 -7.171 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.605 -6.198 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.097 -7.881 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.076 -6.105 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.136 -7.053 -6.738 1.00 0.00 H new ATOM 875 N ASN A 55 -3.673 -4.013 -7.963 1.00 0.00 N ATOM 876 CA ASN A 55 -2.377 -3.305 -8.124 1.00 0.00 C ATOM 877 C ASN A 55 -1.931 -2.731 -6.781 1.00 0.00 C ATOM 878 O ASN A 55 -2.571 -1.867 -6.219 1.00 0.00 O ATOM 879 CB ASN A 55 -2.653 -2.185 -9.128 1.00 0.00 C ATOM 880 CG ASN A 55 -2.968 -2.791 -10.497 1.00 0.00 C ATOM 881 OD1 ASN A 55 -4.107 -3.094 -10.793 1.00 0.00 O ATOM 882 ND2 ASN A 55 -2.000 -2.983 -11.351 1.00 0.00 N ATOM 0 H ASN A 55 -4.399 -3.490 -7.474 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.582 -3.965 -8.470 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.490 -1.575 -8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.788 -1.526 -9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.200 -3.387 -12.266 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.044 -2.729 -11.103 1.00 0.00 H new ATOM 889 N THR A 56 -0.834 -3.201 -6.267 1.00 0.00 N ATOM 890 CA THR A 56 -0.347 -2.678 -4.960 1.00 0.00 C ATOM 891 C THR A 56 0.980 -1.945 -5.163 1.00 0.00 C ATOM 892 O THR A 56 1.656 -2.131 -6.155 1.00 0.00 O ATOM 893 CB THR A 56 -0.161 -3.895 -4.026 1.00 0.00 C ATOM 894 OG1 THR A 56 1.132 -3.844 -3.443 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.317 -5.217 -4.786 1.00 0.00 C ATOM 0 H THR A 56 -0.252 -3.923 -6.692 1.00 0.00 H new ATOM 0 HA THR A 56 -1.055 -1.972 -4.526 1.00 0.00 H new ATOM 0 HB THR A 56 -0.931 -3.851 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.800 -4.120 -4.104 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.180 -6.051 -4.098 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.313 -5.269 -5.225 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.431 -5.273 -5.577 1.00 0.00 H new ATOM 903 N LEU A 57 1.351 -1.104 -4.241 1.00 0.00 N ATOM 904 CA LEU A 57 2.629 -0.353 -4.397 1.00 0.00 C ATOM 905 C LEU A 57 3.343 -0.220 -3.050 1.00 0.00 C ATOM 906 O LEU A 57 2.773 -0.465 -2.005 1.00 0.00 O ATOM 907 CB LEU A 57 2.210 1.022 -4.919 1.00 0.00 C ATOM 908 CG LEU A 57 1.554 1.820 -3.792 1.00 0.00 C ATOM 909 CD1 LEU A 57 2.540 2.861 -3.261 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.308 2.528 -4.330 1.00 0.00 C ATOM 0 H LEU A 57 0.828 -0.903 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 57 3.324 -0.857 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.079 1.558 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.515 0.910 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 57 1.271 1.144 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.071 3.429 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.429 2.359 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.823 3.538 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.162 3.098 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.593 3.204 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.396 1.787 -4.709 1.00 0.00 H new ATOM 922 N HIS A 58 4.589 0.173 -3.069 1.00 0.00 N ATOM 923 CA HIS A 58 5.343 0.327 -1.792 1.00 0.00 C ATOM 924 C HIS A 58 4.937 1.628 -1.094 1.00 0.00 C ATOM 925 O HIS A 58 5.115 2.708 -1.622 1.00 0.00 O ATOM 926 CB HIS A 58 6.814 0.378 -2.203 1.00 0.00 C ATOM 927 CG HIS A 58 7.677 0.418 -0.973 1.00 0.00 C ATOM 928 ND1 HIS A 58 9.024 0.091 -1.007 1.00 0.00 N ATOM 929 CD2 HIS A 58 7.403 0.744 0.332 1.00 0.00 C ATOM 930 CE1 HIS A 58 9.505 0.228 0.243 1.00 0.00 C ATOM 931 NE2 HIS A 58 8.559 0.624 1.098 1.00 0.00 N ATOM 0 H HIS A 58 5.117 0.394 -3.914 1.00 0.00 H new ATOM 0 HA HIS A 58 5.143 -0.486 -1.094 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.064 -0.494 -2.808 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.000 1.257 -2.820 1.00 0.00 H new ATOM 0 HD1 HIS A 58 9.554 -0.200 -1.829 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.437 1.048 0.707 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.532 0.040 0.521 1.00 0.00 H new ATOM 939 N VAL A 59 4.389 1.533 0.085 1.00 0.00 N ATOM 940 CA VAL A 59 3.966 2.764 0.816 1.00 0.00 C ATOM 941 C VAL A 59 4.716 2.873 2.144 1.00 0.00 C ATOM 942 O VAL A 59 4.775 1.933 2.909 1.00 0.00 O ATOM 943 CB VAL A 59 2.457 2.623 1.084 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.709 3.753 0.381 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.923 1.277 0.573 1.00 0.00 C ATOM 0 H VAL A 59 4.215 0.656 0.576 1.00 0.00 H new ATOM 0 HA VAL A 59 4.184 3.658 0.231 1.00 0.00 H new ATOM 0 HB VAL A 59 2.298 2.673 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.640 3.654 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.058 4.713 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.894 3.700 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.855 1.208 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.093 1.202 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.442 0.464 1.080 1.00 0.00 H new ATOM 955 N ARG A 60 5.282 4.015 2.428 1.00 0.00 N ATOM 956 CA ARG A 60 6.021 4.182 3.714 1.00 0.00 C ATOM 957 C ARG A 60 5.846 5.608 4.243 1.00 0.00 C ATOM 958 O ARG A 60 5.913 6.568 3.503 1.00 0.00 O ATOM 959 CB ARG A 60 7.487 3.915 3.370 1.00 0.00 C ATOM 960 CG ARG A 60 7.634 2.499 2.807 1.00 0.00 C ATOM 961 CD ARG A 60 7.252 1.478 3.881 1.00 0.00 C ATOM 962 NE ARG A 60 7.171 0.177 3.161 1.00 0.00 N ATOM 963 CZ ARG A 60 8.079 -0.737 3.365 1.00 0.00 C ATOM 964 NH1 ARG A 60 9.322 -0.388 3.557 1.00 0.00 N ATOM 965 NH2 ARG A 60 7.746 -1.998 3.380 1.00 0.00 N ATOM 0 H ARG A 60 5.265 4.839 1.827 1.00 0.00 H new ATOM 0 HA ARG A 60 5.656 3.508 4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.839 4.645 2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.106 4.029 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.996 2.377 1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.660 2.331 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.997 1.444 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.300 1.732 4.347 1.00 0.00 H new ATOM 0 HE ARG A 60 6.406 0.001 2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.582 0.598 3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.033 -1.102 3.717 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.774 -2.271 3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.457 -2.711 3.540 1.00 0.00 H new ATOM 979 N GLY A 61 5.622 5.752 5.521 1.00 0.00 N ATOM 980 CA GLY A 61 5.444 7.113 6.098 1.00 0.00 C ATOM 981 C GLY A 61 6.599 8.013 5.655 1.00 0.00 C ATOM 982 O GLY A 61 7.466 7.604 4.909 1.00 0.00 O ATOM 0 H GLY A 61 5.555 4.985 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.494 7.536 5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.410 7.056 7.186 1.00 0.00 H new ATOM 986 N LYS A 62 6.615 9.236 6.108 1.00 0.00 N ATOM 987 CA LYS A 62 7.713 10.163 5.713 1.00 0.00 C ATOM 988 C LYS A 62 8.153 11.001 6.916 1.00 0.00 C ATOM 989 O LYS A 62 8.267 12.208 6.837 1.00 0.00 O ATOM 990 CB LYS A 62 7.105 11.053 4.628 1.00 0.00 C ATOM 991 CG LYS A 62 6.134 12.048 5.266 1.00 0.00 C ATOM 992 CD LYS A 62 4.777 11.959 4.566 1.00 0.00 C ATOM 993 CE LYS A 62 4.938 12.324 3.089 1.00 0.00 C ATOM 994 NZ LYS A 62 3.703 11.815 2.430 1.00 0.00 N ATOM 0 H LYS A 62 5.915 9.634 6.735 1.00 0.00 H new ATOM 0 HA LYS A 62 8.597 9.634 5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.893 11.587 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.584 10.441 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.022 11.832 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.530 13.060 5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.373 10.951 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.065 12.633 5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.040 13.401 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.830 11.865 2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.739 12.028 1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.636 10.786 2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.870 12.275 2.850 1.00 0.00 H new ATOM 1008 N LYS A 63 8.399 10.369 8.031 1.00 0.00 N ATOM 1009 CA LYS A 63 8.831 11.128 9.241 1.00 0.00 C ATOM 1010 C LYS A 63 9.765 10.267 10.097 1.00 0.00 C ATOM 1011 O LYS A 63 10.967 10.282 9.924 1.00 0.00 O ATOM 1012 CB LYS A 63 7.537 11.433 9.997 1.00 0.00 C ATOM 1013 CG LYS A 63 7.874 11.978 11.386 1.00 0.00 C ATOM 1014 CD LYS A 63 7.127 13.294 11.614 1.00 0.00 C ATOM 1015 CE LYS A 63 7.002 13.558 13.116 1.00 0.00 C ATOM 1016 NZ LYS A 63 8.103 14.512 13.429 1.00 0.00 N ATOM 0 H LYS A 63 8.320 9.360 8.157 1.00 0.00 H new ATOM 0 HA LYS A 63 9.379 12.036 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.943 12.160 9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.934 10.530 10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.595 11.252 12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.949 12.138 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.660 14.114 11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.138 13.246 11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.029 13.982 13.363 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.103 12.636 13.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.085 14.743 14.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.017 14.078 13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.977 15.382 12.874 1.00 0.00 H new ATOM 1030 N LYS A 64 9.221 9.518 11.017 1.00 0.00 N ATOM 1031 CA LYS A 64 10.075 8.658 11.882 1.00 0.00 C ATOM 1032 C LYS A 64 11.162 7.978 11.045 1.00 0.00 C ATOM 1033 O LYS A 64 12.328 8.312 11.131 1.00 0.00 O ATOM 1034 CB LYS A 64 9.123 7.617 12.471 1.00 0.00 C ATOM 1035 CG LYS A 64 9.341 7.520 13.982 1.00 0.00 C ATOM 1036 CD LYS A 64 9.430 6.049 14.391 1.00 0.00 C ATOM 1037 CE LYS A 64 10.810 5.500 14.023 1.00 0.00 C ATOM 1038 NZ LYS A 64 11.159 4.567 15.131 1.00 0.00 N ATOM 0 H LYS A 64 8.220 9.465 11.207 1.00 0.00 H new ATOM 0 HA LYS A 64 10.583 9.230 12.658 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.090 7.893 12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.296 6.647 12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.256 8.042 14.262 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.521 8.006 14.510 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.260 5.948 15.463 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.652 5.473 13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.787 4.983 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.544 6.301 13.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.094 4.149 14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.180 5.089 16.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.447 3.811 15.186 1.00 0.00 H new ATOM 1052 N ARG A 65 10.789 7.025 10.235 1.00 0.00 N ATOM 1053 CA ARG A 65 11.798 6.322 9.391 1.00 0.00 C ATOM 1054 C ARG A 65 12.635 7.338 8.608 1.00 0.00 C ATOM 1055 O ARG A 65 12.228 8.464 8.403 1.00 0.00 O ATOM 1056 CB ARG A 65 10.980 5.454 8.436 1.00 0.00 C ATOM 1057 CG ARG A 65 9.967 6.327 7.693 1.00 0.00 C ATOM 1058 CD ARG A 65 8.633 5.586 7.588 1.00 0.00 C ATOM 1059 NE ARG A 65 8.127 5.506 8.987 1.00 0.00 N ATOM 1060 CZ ARG A 65 6.878 5.780 9.245 1.00 0.00 C ATOM 1061 NH1 ARG A 65 5.926 5.142 8.621 1.00 0.00 N ATOM 1062 NH2 ARG A 65 6.580 6.694 10.129 1.00 0.00 N ATOM 0 H ARG A 65 9.828 6.702 10.121 1.00 0.00 H new ATOM 0 HA ARG A 65 12.493 5.730 9.987 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.639 4.957 7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.463 4.671 8.991 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.830 7.271 8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.340 6.568 6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.934 6.121 6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.766 4.593 7.159 1.00 0.00 H new ATOM 0 HE ARG A 65 8.757 5.237 9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.158 4.428 7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.950 5.357 8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.324 7.193 10.617 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.604 6.909 10.331 1.00 0.00 H new ATOM 1076 N LEU A 66 13.796 6.944 8.164 1.00 0.00 N ATOM 1077 CA LEU A 66 14.659 7.875 7.390 1.00 0.00 C ATOM 1078 C LEU A 66 15.976 7.189 7.021 1.00 0.00 C ATOM 1079 O LEU A 66 16.831 6.978 7.858 1.00 0.00 O ATOM 1080 CB LEU A 66 14.914 9.059 8.324 1.00 0.00 C ATOM 1081 CG LEU A 66 15.021 10.345 7.501 1.00 0.00 C ATOM 1082 CD1 LEU A 66 16.247 10.267 6.589 1.00 0.00 C ATOM 1083 CD2 LEU A 66 13.762 10.510 6.647 1.00 0.00 C ATOM 0 H LEU A 66 14.185 6.012 8.306 1.00 0.00 H new ATOM 0 HA LEU A 66 14.191 8.190 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.104 9.145 9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.832 8.899 8.889 1.00 0.00 H new ATOM 0 HG LEU A 66 15.120 11.198 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 66 16.323 11.183 6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 66 17.145 10.149 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.148 9.414 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.838 11.426 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.663 9.657 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.887 10.565 7.295 1.00 0.00 H new ATOM 1095 N GLY A 67 16.145 6.838 5.775 1.00 0.00 N ATOM 1096 CA GLY A 67 17.403 6.164 5.352 1.00 0.00 C ATOM 1097 C GLY A 67 18.604 6.861 5.996 1.00 0.00 C ATOM 1098 O GLY A 67 19.116 7.836 5.483 1.00 0.00 O ATOM 0 H GLY A 67 15.464 6.990 5.031 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.380 5.114 5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 67 17.494 6.191 4.266 1.00 0.00 H new ATOM 1102 N ARG A 68 19.055 6.369 7.116 1.00 0.00 N ATOM 1103 CA ARG A 68 20.221 7.005 7.793 1.00 0.00 C ATOM 1104 C ARG A 68 20.786 6.066 8.862 1.00 0.00 C ATOM 1105 O ARG A 68 20.385 4.925 8.974 1.00 0.00 O ATOM 1106 CB ARG A 68 19.657 8.270 8.436 1.00 0.00 C ATOM 1107 CG ARG A 68 19.706 9.420 7.429 1.00 0.00 C ATOM 1108 CD ARG A 68 19.886 10.745 8.173 1.00 0.00 C ATOM 1109 NE ARG A 68 19.765 11.795 7.124 1.00 0.00 N ATOM 1110 CZ ARG A 68 19.871 13.055 7.447 1.00 0.00 C ATOM 1111 NH1 ARG A 68 20.409 13.394 8.587 1.00 0.00 N ATOM 1112 NH2 ARG A 68 19.438 13.977 6.631 1.00 0.00 N ATOM 0 H ARG A 68 18.667 5.555 7.592 1.00 0.00 H new ATOM 0 HA ARG A 68 21.034 7.225 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.630 8.099 8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 68 20.233 8.526 9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.528 9.269 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.788 9.442 6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.128 10.870 8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.856 10.791 8.668 1.00 0.00 H new ATOM 0 HE ARG A 68 19.599 11.529 6.153 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.747 12.674 9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.492 14.379 8.839 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.017 13.713 5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.521 14.962 6.884 1.00 0.00 H new ATOM 1126 N TYR A 69 21.713 6.538 9.649 1.00 0.00 N ATOM 1127 CA TYR A 69 22.301 5.672 10.710 1.00 0.00 C ATOM 1128 C TYR A 69 21.187 4.966 11.492 1.00 0.00 C ATOM 1129 O TYR A 69 20.199 5.568 11.862 1.00 0.00 O ATOM 1130 CB TYR A 69 23.079 6.627 11.614 1.00 0.00 C ATOM 1131 CG TYR A 69 22.113 7.426 12.451 1.00 0.00 C ATOM 1132 CD1 TYR A 69 21.567 6.863 13.607 1.00 0.00 C ATOM 1133 CD2 TYR A 69 21.762 8.724 12.068 1.00 0.00 C ATOM 1134 CE1 TYR A 69 20.668 7.600 14.385 1.00 0.00 C ATOM 1135 CE2 TYR A 69 20.862 9.462 12.845 1.00 0.00 C ATOM 1136 CZ TYR A 69 20.314 8.899 14.005 1.00 0.00 C ATOM 1137 OH TYR A 69 19.428 9.627 14.772 1.00 0.00 O ATOM 0 H TYR A 69 22.089 7.485 9.604 1.00 0.00 H new ATOM 0 HA TYR A 69 22.942 4.891 10.302 1.00 0.00 H new ATOM 0 HB2 TYR A 69 23.756 6.065 12.258 1.00 0.00 H new ATOM 0 HB3 TYR A 69 23.694 7.296 11.011 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.839 5.860 13.900 1.00 0.00 H new ATOM 0 HD2 TYR A 69 22.185 9.157 11.173 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.247 7.166 15.280 1.00 0.00 H new ATOM 0 HE2 TYR A 69 20.590 10.465 12.551 1.00 0.00 H new ATOM 0 HH TYR A 69 19.293 10.509 14.367 1.00 0.00 H new ATOM 1147 N LEU A 70 21.343 3.694 11.743 1.00 0.00 N ATOM 1148 CA LEU A 70 20.297 2.944 12.501 1.00 0.00 C ATOM 1149 C LEU A 70 18.905 3.369 12.046 1.00 0.00 C ATOM 1150 O LEU A 70 17.998 3.538 12.837 1.00 0.00 O ATOM 1151 CB LEU A 70 20.520 3.325 13.952 1.00 0.00 C ATOM 1152 CG LEU A 70 20.737 2.061 14.785 1.00 0.00 C ATOM 1153 CD1 LEU A 70 20.666 2.413 16.270 1.00 0.00 C ATOM 1154 CD2 LEU A 70 19.646 1.039 14.454 1.00 0.00 C ATOM 0 H LEU A 70 22.150 3.140 11.456 1.00 0.00 H new ATOM 0 HA LEU A 70 20.365 1.868 12.344 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.385 3.982 14.037 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.660 3.879 14.330 1.00 0.00 H new ATOM 0 HG LEU A 70 21.715 1.638 14.556 1.00 0.00 H new ATOM 0 HD11 LEU A 70 20.820 1.513 16.865 1.00 0.00 H new ATOM 0 HD12 LEU A 70 21.440 3.143 16.508 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.687 2.835 16.498 1.00 0.00 H new ATOM 0 HD21 LEU A 70 19.800 0.138 15.047 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.669 1.463 14.684 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.692 0.788 13.394 1.00 0.00 H new ATOM 1166 N GLY A 71 18.741 3.539 10.775 1.00 0.00 N ATOM 1167 CA GLY A 71 17.416 3.953 10.232 1.00 0.00 C ATOM 1168 C GLY A 71 16.897 2.877 9.277 1.00 0.00 C ATOM 1169 O GLY A 71 17.659 2.217 8.598 1.00 0.00 O ATOM 0 H GLY A 71 19.472 3.409 10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.708 4.103 11.047 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.507 4.905 9.709 1.00 0.00 H new ATOM 1173 N LYS A 72 15.606 2.695 9.217 1.00 0.00 N ATOM 1174 CA LYS A 72 15.041 1.660 8.303 1.00 0.00 C ATOM 1175 C LYS A 72 13.559 1.941 8.035 1.00 0.00 C ATOM 1176 O LYS A 72 12.908 2.652 8.773 1.00 0.00 O ATOM 1177 CB LYS A 72 15.208 0.338 9.053 1.00 0.00 C ATOM 1178 CG LYS A 72 14.424 0.393 10.365 1.00 0.00 C ATOM 1179 CD LYS A 72 14.601 -0.925 11.122 1.00 0.00 C ATOM 1180 CE LYS A 72 13.433 -1.859 10.799 1.00 0.00 C ATOM 1181 NZ LYS A 72 14.007 -2.892 9.893 1.00 0.00 N ATOM 0 H LYS A 72 14.918 3.217 9.760 1.00 0.00 H new ATOM 0 HA LYS A 72 15.541 1.647 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.851 -0.489 8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.263 0.153 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.775 1.225 10.976 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.368 0.569 10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.544 -1.394 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.645 -0.738 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.026 -2.310 11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.618 -1.320 10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.261 -3.260 9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.762 -2.468 9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.399 -3.671 10.459 1.00 0.00 H new ATOM 1195 N ARG A 73 13.024 1.385 6.981 1.00 0.00 N ATOM 1196 CA ARG A 73 11.585 1.619 6.664 1.00 0.00 C ATOM 1197 C ARG A 73 10.731 0.468 7.205 1.00 0.00 C ATOM 1198 O ARG A 73 11.169 -0.665 7.244 1.00 0.00 O ATOM 1199 CB ARG A 73 11.519 1.664 5.138 1.00 0.00 C ATOM 1200 CG ARG A 73 10.746 2.907 4.695 1.00 0.00 C ATOM 1201 CD ARG A 73 11.704 3.894 4.024 1.00 0.00 C ATOM 1202 NE ARG A 73 10.922 4.489 2.905 1.00 0.00 N ATOM 1203 CZ ARG A 73 11.520 5.231 2.014 1.00 0.00 C ATOM 1204 NH1 ARG A 73 12.396 4.700 1.205 1.00 0.00 N ATOM 1205 NH2 ARG A 73 11.242 6.503 1.931 1.00 0.00 N ATOM 0 H ARG A 73 13.520 0.780 6.327 1.00 0.00 H new ATOM 0 HA ARG A 73 11.205 2.536 7.116 1.00 0.00 H new ATOM 0 HB2 ARG A 73 12.526 1.681 4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.032 0.766 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.952 2.627 4.002 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.268 3.376 5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.036 4.660 4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.597 3.389 3.657 1.00 0.00 H new ATOM 0 HE ARG A 73 9.919 4.316 2.835 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.613 3.705 1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.864 5.280 0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.557 6.918 2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.710 7.083 1.234 1.00 0.00 H new ATOM 1219 N PRO A 74 9.535 0.803 7.606 1.00 0.00 N ATOM 1220 CA PRO A 74 8.603 -0.212 8.154 1.00 0.00 C ATOM 1221 C PRO A 74 8.053 -1.094 7.032 1.00 0.00 C ATOM 1222 O PRO A 74 8.557 -1.101 5.926 1.00 0.00 O ATOM 1223 CB PRO A 74 7.491 0.623 8.778 1.00 0.00 C ATOM 1224 CG PRO A 74 7.523 1.923 8.041 1.00 0.00 C ATOM 1225 CD PRO A 74 8.944 2.146 7.590 1.00 0.00 C ATOM 0 HA PRO A 74 9.077 -0.886 8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.523 0.133 8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.659 0.770 9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.848 1.897 7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.191 2.738 8.684 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.982 2.587 6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.474 2.824 8.260 1.00 0.00 H new ATOM 1233 N ASP A 75 7.013 -1.827 7.310 1.00 0.00 N ATOM 1234 CA ASP A 75 6.412 -2.698 6.270 1.00 0.00 C ATOM 1235 C ASP A 75 5.008 -2.201 5.948 1.00 0.00 C ATOM 1236 O ASP A 75 4.034 -2.609 6.549 1.00 0.00 O ATOM 1237 CB ASP A 75 6.363 -4.091 6.899 1.00 0.00 C ATOM 1238 CG ASP A 75 7.744 -4.742 6.806 1.00 0.00 C ATOM 1239 OD1 ASP A 75 8.553 -4.261 6.029 1.00 0.00 O ATOM 1240 OD2 ASP A 75 7.970 -5.710 7.513 1.00 0.00 O ATOM 0 H ASP A 75 6.552 -1.859 8.219 1.00 0.00 H new ATOM 0 HA ASP A 75 6.979 -2.700 5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.052 -4.020 7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.624 -4.707 6.387 1.00 0.00 H new ATOM 1245 N ARG A 76 4.904 -1.319 5.005 1.00 0.00 N ATOM 1246 CA ARG A 76 3.571 -0.774 4.629 1.00 0.00 C ATOM 1247 C ARG A 76 3.374 -0.873 3.111 1.00 0.00 C ATOM 1248 O ARG A 76 4.042 -0.209 2.344 1.00 0.00 O ATOM 1249 CB ARG A 76 3.619 0.684 5.087 1.00 0.00 C ATOM 1250 CG ARG A 76 2.518 1.487 4.394 1.00 0.00 C ATOM 1251 CD ARG A 76 2.744 2.978 4.655 1.00 0.00 C ATOM 1252 NE ARG A 76 1.725 3.350 5.675 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.722 4.550 6.188 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.039 5.503 5.614 1.00 0.00 N ATOM 1255 NH2 ARG A 76 2.402 4.798 7.273 1.00 0.00 N ATOM 0 H ARG A 76 5.689 -0.946 4.471 1.00 0.00 H new ATOM 0 HA ARG A 76 2.742 -1.317 5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.494 0.738 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.594 1.114 4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.525 1.288 3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.540 1.184 4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.754 3.166 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.620 3.561 3.743 1.00 0.00 H new ATOM 0 HE ARG A 76 1.029 2.667 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.508 5.310 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.036 6.441 6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.937 4.054 7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.399 5.736 7.673 1.00 0.00 H new ATOM 1269 N LYS A 77 2.464 -1.701 2.674 1.00 0.00 N ATOM 1270 CA LYS A 77 2.226 -1.846 1.207 1.00 0.00 C ATOM 1271 C LYS A 77 0.758 -1.548 0.880 1.00 0.00 C ATOM 1272 O LYS A 77 -0.139 -1.940 1.598 1.00 0.00 O ATOM 1273 CB LYS A 77 2.570 -3.304 0.894 1.00 0.00 C ATOM 1274 CG LYS A 77 2.132 -3.644 -0.532 1.00 0.00 C ATOM 1275 CD LYS A 77 2.694 -5.013 -0.924 1.00 0.00 C ATOM 1276 CE LYS A 77 1.684 -5.749 -1.808 1.00 0.00 C ATOM 1277 NZ LYS A 77 1.748 -7.169 -1.361 1.00 0.00 N ATOM 0 H LYS A 77 1.875 -2.284 3.268 1.00 0.00 H new ATOM 0 HA LYS A 77 2.826 -1.154 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.642 -3.466 1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.074 -3.965 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.044 -3.653 -0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.487 -2.881 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.637 -4.891 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.906 -5.600 -0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.681 -5.341 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.940 -5.655 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.058 -7.733 -1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.704 -7.542 -1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.526 -7.224 -0.346 1.00 0.00 H new ATOM 1291 N LYS A 78 0.509 -0.853 -0.198 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.900 -0.526 -0.566 1.00 0.00 C ATOM 1293 C LYS A 78 -1.387 -1.453 -1.684 1.00 0.00 C ATOM 1294 O LYS A 78 -0.619 -1.865 -2.528 1.00 0.00 O ATOM 1295 CB LYS A 78 -0.852 0.922 -1.055 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.534 1.833 -0.033 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.014 3.109 -0.726 1.00 0.00 C ATOM 1298 CE LYS A 78 -2.827 3.951 0.259 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.996 5.270 -0.412 1.00 0.00 N ATOM 0 H LYS A 78 1.219 -0.498 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.586 -0.654 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.183 1.233 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.349 1.007 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.377 1.316 0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.839 2.082 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.160 3.680 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.623 2.857 -1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.791 3.489 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.307 4.056 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.545 5.904 0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.062 5.688 -0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.500 5.139 -1.313 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.654 -1.789 -1.699 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.170 -2.695 -2.771 1.00 0.00 C ATOM 1315 C ALA A 79 -4.438 -2.150 -3.411 1.00 0.00 C ATOM 1316 O ALA A 79 -5.409 -1.875 -2.744 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.498 -4.003 -2.075 1.00 0.00 C ATOM 0 H ALA A 79 -3.349 -1.477 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.430 -2.802 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.883 -4.716 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.596 -4.406 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.251 -3.827 -1.307 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.445 -2.037 -4.708 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.663 -1.548 -5.405 1.00 0.00 C ATOM 1325 C ILE A 80 -6.348 -2.727 -6.090 1.00 0.00 C ATOM 1326 O ILE A 80 -5.829 -3.297 -7.027 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.166 -0.539 -6.434 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.814 0.771 -5.729 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.267 -0.279 -7.461 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.766 0.516 -4.646 1.00 0.00 C ATOM 0 H ILE A 80 -3.658 -2.263 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.385 -1.093 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.283 -0.934 -6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.433 1.492 -6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.709 1.207 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.914 0.442 -8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.526 -1.212 -7.961 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.148 0.119 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.521 1.454 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.162 -0.189 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.867 0.101 -5.101 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.499 -3.105 -5.620 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.209 -4.266 -6.237 1.00 0.00 C ATOM 1344 C VAL A 81 -9.240 -3.777 -7.254 1.00 0.00 C ATOM 1345 O VAL A 81 -9.911 -2.786 -7.045 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.908 -5.002 -5.083 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.025 -6.486 -5.430 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -8.103 -4.852 -3.783 1.00 0.00 C ATOM 0 H VAL A 81 -7.983 -2.665 -4.837 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.516 -4.921 -6.765 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.898 -4.569 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.520 -7.012 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.609 -6.601 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.030 -6.904 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.613 -5.379 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.108 -5.274 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.017 -3.796 -3.528 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.378 -4.472 -8.349 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.371 -4.054 -9.374 1.00 0.00 C ATOM 1360 C GLN A 82 -11.367 -5.175 -9.601 1.00 0.00 C ATOM 1361 O GLN A 82 -11.014 -6.337 -9.604 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.566 -3.818 -10.644 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.515 -3.481 -11.796 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.561 -1.965 -11.993 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -9.685 -1.254 -11.543 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.555 -1.436 -12.655 1.00 0.00 N ATOM 0 H GLN A 82 -8.845 -5.311 -8.577 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.925 -3.166 -9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.858 -3.003 -10.492 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.983 -4.706 -10.888 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.179 -3.967 -12.712 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.514 -3.861 -11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.291 -2.033 -13.033 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.595 -0.426 -12.794 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.603 -4.850 -9.805 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.586 -5.926 -10.041 1.00 0.00 C ATOM 1377 C VAL A 83 -14.332 -5.688 -11.349 1.00 0.00 C ATOM 1378 O VAL A 83 -14.422 -4.581 -11.841 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.543 -5.902 -8.852 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -13.749 -5.717 -7.558 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.535 -4.747 -9.017 1.00 0.00 C ATOM 0 H VAL A 83 -12.972 -3.899 -9.819 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.100 -6.898 -10.128 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.089 -6.844 -8.808 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.434 -5.700 -6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.047 -6.542 -7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.200 -4.776 -7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.218 -4.730 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.991 -3.804 -9.064 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.103 -4.884 -9.937 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.857 -6.730 -11.910 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.599 -6.605 -13.191 1.00 0.00 C ATOM 1393 C ALA A 84 -16.535 -5.397 -13.162 1.00 0.00 C ATOM 1394 O ALA A 84 -16.720 -4.766 -12.140 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.403 -7.894 -13.293 1.00 0.00 C ATOM 0 H ALA A 84 -14.805 -7.677 -11.534 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.931 -6.459 -14.040 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.985 -7.888 -14.215 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.724 -8.747 -13.298 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -17.076 -7.971 -12.439 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.094 -5.125 -14.305 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.029 -3.988 -14.453 1.00 0.00 C ATOM 1403 C PRO A 85 -19.402 -4.355 -13.887 1.00 0.00 C ATOM 1404 O PRO A 85 -20.411 -4.243 -14.554 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.098 -3.780 -15.962 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.738 -5.097 -16.564 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.906 -5.855 -15.558 1.00 0.00 C ATOM 0 HA PRO A 85 -17.710 -3.093 -13.920 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.096 -3.468 -16.270 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.407 -3.000 -16.282 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.637 -5.659 -16.817 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.181 -4.954 -17.490 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.237 -6.890 -15.468 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.856 -5.880 -15.849 1.00 0.00 H new ATOM 1415 N GLY A 86 -19.444 -4.794 -12.661 1.00 0.00 N ATOM 1416 CA GLY A 86 -20.749 -5.170 -12.046 1.00 0.00 C ATOM 1417 C GLY A 86 -20.575 -5.348 -10.537 1.00 0.00 C ATOM 1418 O GLY A 86 -21.353 -4.846 -9.751 1.00 0.00 O ATOM 0 H GLY A 86 -18.631 -4.909 -12.056 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.493 -4.399 -12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.119 -6.094 -12.491 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.563 -6.063 -10.125 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.344 -6.276 -8.666 1.00 0.00 C ATOM 1424 C GLN A 87 -19.362 -4.947 -7.914 1.00 0.00 C ATOM 1425 O GLN A 87 -19.646 -3.905 -8.470 1.00 0.00 O ATOM 1426 CB GLN A 87 -17.958 -6.918 -8.567 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.992 -8.406 -8.965 1.00 0.00 C ATOM 1428 CD GLN A 87 -19.398 -8.854 -9.393 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -19.886 -8.453 -10.431 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -20.070 -9.671 -8.630 1.00 0.00 N ATOM 0 H GLN A 87 -18.879 -6.509 -10.736 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.124 -6.896 -8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.262 -6.384 -9.214 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.584 -6.822 -7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.292 -8.579 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.658 -9.014 -8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.661 -10.008 -7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -21.005 -9.973 -8.905 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.057 -4.982 -6.647 1.00 0.00 N ATOM 1440 CA LYS A 88 -19.052 -3.723 -5.846 1.00 0.00 C ATOM 1441 C LYS A 88 -18.690 -4.019 -4.388 1.00 0.00 C ATOM 1442 O LYS A 88 -19.549 -4.099 -3.533 1.00 0.00 O ATOM 1443 CB LYS A 88 -20.482 -3.187 -5.943 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.471 -4.306 -5.610 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.876 -3.895 -6.057 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.851 -4.050 -4.888 1.00 0.00 C ATOM 1447 NZ LYS A 88 -25.181 -4.264 -5.525 1.00 0.00 N ATOM 0 H LYS A 88 -18.811 -5.826 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 88 -18.319 -3.005 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -20.616 -2.352 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.672 -2.807 -6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.174 -5.229 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.463 -4.506 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -22.871 -2.862 -6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -23.197 -4.512 -6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -23.577 -4.893 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.854 -3.162 -4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.905 -4.379 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -25.418 -3.443 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -25.149 -5.119 -6.116 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.427 -4.178 -4.093 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.029 -4.462 -2.685 1.00 0.00 C ATOM 1463 C ILE A 89 -17.735 -3.483 -1.740 1.00 0.00 C ATOM 1464 O ILE A 89 -17.441 -2.304 -1.716 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.512 -4.259 -2.648 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.821 -5.496 -3.231 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.055 -4.057 -1.201 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.321 -5.433 -2.935 1.00 0.00 C ATOM 0 H ILE A 89 -16.659 -4.124 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.304 -5.468 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.249 -3.380 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.249 -6.401 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.988 -5.545 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.975 -3.913 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.548 -3.179 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.317 -4.935 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.831 -6.314 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.898 -4.536 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.164 -5.405 -1.857 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.671 -3.964 -0.966 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.404 -3.064 -0.029 1.00 0.00 C ATOM 1482 C GLU A 90 -18.471 -2.553 1.074 1.00 0.00 C ATOM 1483 O GLU A 90 -18.791 -1.621 1.785 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.510 -3.935 0.568 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.564 -4.230 -0.501 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.680 -3.187 -0.420 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.621 -3.413 0.322 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -22.575 -2.181 -1.102 1.00 0.00 O ATOM 0 H GLU A 90 -18.960 -4.942 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.800 -2.183 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.089 -4.867 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -20.969 -3.427 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.108 -4.214 -1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.975 -5.229 -0.356 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.328 -3.160 1.230 1.00 0.00 N ATOM 1496 CA ALA A 91 -16.387 -2.707 2.297 1.00 0.00 C ATOM 1497 C ALA A 91 -16.030 -1.227 2.117 1.00 0.00 C ATOM 1498 O ALA A 91 -15.880 -0.497 3.078 1.00 0.00 O ATOM 1499 CB ALA A 91 -15.145 -3.582 2.124 1.00 0.00 C ATOM 0 H ALA A 91 -17.004 -3.947 0.668 1.00 0.00 H new ATOM 0 HA ALA A 91 -16.823 -2.801 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.402 -3.311 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.418 -4.630 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.728 -3.430 1.128 1.00 0.00 H new ATOM 1505 N LEU A 92 -15.892 -0.774 0.900 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.543 0.664 0.677 1.00 0.00 C ATOM 1507 C LEU A 92 -16.759 1.424 0.152 1.00 0.00 C ATOM 1508 O LEU A 92 -16.856 2.629 0.284 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.423 0.689 -0.377 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.702 -0.657 -0.433 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.514 -0.563 -1.391 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.201 -1.022 0.967 1.00 0.00 C ATOM 0 H LEU A 92 -16.004 -1.332 0.053 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.225 1.136 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.843 0.923 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.711 1.479 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.391 -1.424 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.001 -1.524 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.870 -0.301 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.823 0.203 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.686 -1.982 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.512 -0.254 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.048 -1.090 1.650 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.683 0.734 -0.453 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.883 1.425 -0.997 1.00 0.00 C ATOM 1526 C GLU A 93 -19.650 2.122 0.131 1.00 0.00 C ATOM 1527 O GLU A 93 -20.265 3.151 -0.067 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.733 0.320 -1.621 1.00 0.00 C ATOM 1529 CG GLU A 93 -18.954 -0.346 -2.758 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.122 0.472 -4.040 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -18.853 1.661 -4.000 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -19.517 -0.106 -5.039 1.00 0.00 O ATOM 0 H GLU A 93 -17.660 -0.276 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.620 2.193 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.997 -0.420 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.666 0.736 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.898 -0.418 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.314 -1.363 -2.913 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.620 1.568 1.313 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.347 2.198 2.450 1.00 0.00 C ATOM 1541 C GLY A 94 -19.367 2.998 3.309 1.00 0.00 C ATOM 1542 O GLY A 94 -19.760 3.781 4.151 1.00 0.00 O ATOM 0 H GLY A 94 -19.123 0.706 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.133 2.852 2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.832 1.431 3.054 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.092 2.810 3.103 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.089 3.564 3.910 1.00 0.00 C ATOM 1548 C LEU A 95 -16.914 4.978 3.349 1.00 0.00 C ATOM 1549 O LEU A 95 -16.295 5.826 3.960 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.790 2.768 3.773 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.313 2.327 5.157 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.468 1.661 5.907 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -14.163 1.330 5.006 1.00 0.00 C ATOM 0 H LEU A 95 -17.701 2.169 2.413 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.393 3.671 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.950 1.897 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.026 3.378 3.291 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.970 3.197 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.128 1.347 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.289 2.370 6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.812 0.791 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.822 1.015 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.507 0.460 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.339 1.803 4.472 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.456 5.238 2.191 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.320 6.598 1.594 1.00 0.00 C ATOM 1567 C ILE A 96 -18.164 7.606 2.377 1.00 0.00 C ATOM 1568 O ILE A 96 -18.716 7.223 3.396 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.842 6.457 0.164 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -19.355 6.224 0.196 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.158 5.269 -0.516 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -20.053 7.301 -0.636 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.247 8.743 1.943 1.00 0.00 O ATOM 0 H ILE A 96 -17.986 4.569 1.633 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.292 6.959 1.618 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.624 7.368 -0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.590 5.235 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -19.717 6.252 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.531 5.169 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -16.081 5.433 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.375 4.357 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -21.130 7.136 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -19.828 8.284 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -19.699 7.251 -1.666 1.00 0.00 H new TER 1585 ILE A 96