USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 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 28 SER OG : rot -32:sc= 0.79 USER MOD Set 1.2: A 44 HIS : no HE2:sc= -0.574 K(o=0.22,f=-4.8!) USER MOD Single : A 1 GLU N :NH3+ -172:sc= 0 (180deg=-0.0686) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 61:sc= -0.423 USER MOD Single : A 8 THR OG1 : rot 102:sc= 0.0992 USER MOD Single : A 10 THR OG1 : rot 83:sc= 0.62 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.17) 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+ -165:sc= -0.0185 (180deg=-0.265) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.28 K(o=-1.3,f=-7.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 151:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0.69 (180deg=0.511) USER MOD Single : A 31 SER OG : rot -13:sc= 0.864 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.49 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -39:sc= 0.0699 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1 K(o=-1,f=-2.1) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0.866 (180deg=0.866) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc=-0.00902 X(o=-0.009,f=-0.0016) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0988 X(o=-0.099,f=-0.023) USER MOD Single : A 75 HIS : no HD1:sc= -0.377 X(o=-0.38,f=0.061) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 19.345 -9.232 -17.996 1.00 0.00 N ATOM 2 CA GLU A 1 19.204 -8.501 -16.752 1.00 0.00 C ATOM 3 C GLU A 1 17.920 -7.700 -16.748 1.00 0.00 C ATOM 4 O GLU A 1 17.877 -6.559 -17.213 1.00 0.00 O ATOM 5 CB GLU A 1 20.416 -7.591 -16.493 1.00 0.00 C ATOM 6 CG GLU A 1 21.704 -8.346 -16.204 1.00 0.00 C ATOM 7 CD GLU A 1 21.627 -9.136 -14.920 1.00 0.00 C ATOM 8 OE1 GLU A 1 21.087 -10.256 -14.923 1.00 0.00 O ATOM 9 OE2 GLU A 1 22.098 -8.643 -13.867 1.00 0.00 O ATOM 0 H1 GLU A 1 20.157 -9.878 -17.929 1.00 0.00 H new ATOM 0 H2 GLU A 1 18.480 -9.781 -18.176 1.00 0.00 H new ATOM 0 H3 GLU A 1 19.499 -8.562 -18.777 1.00 0.00 H new ATOM 0 HA GLU A 1 19.160 -9.229 -15.942 1.00 0.00 H new ATOM 0 HB2 GLU A 1 20.569 -6.951 -17.362 1.00 0.00 H new ATOM 0 HB3 GLU A 1 20.193 -6.937 -15.650 1.00 0.00 H new ATOM 0 HG2 GLU A 1 21.920 -9.022 -17.032 1.00 0.00 H new ATOM 0 HG3 GLU A 1 22.532 -7.639 -16.145 1.00 0.00 H new ATOM 18 N ASP A 2 16.863 -8.320 -16.286 1.00 0.00 N ATOM 19 CA ASP A 2 15.583 -7.672 -16.149 1.00 0.00 C ATOM 20 C ASP A 2 14.835 -8.259 -14.986 1.00 0.00 C ATOM 21 O ASP A 2 14.126 -9.260 -15.112 1.00 0.00 O ATOM 22 CB ASP A 2 14.736 -7.719 -17.434 1.00 0.00 C ATOM 23 CG ASP A 2 13.362 -7.094 -17.244 1.00 0.00 C ATOM 24 OD1 ASP A 2 13.232 -5.851 -17.305 1.00 0.00 O ATOM 25 OD2 ASP A 2 12.391 -7.827 -17.008 1.00 0.00 O ATOM 0 H ASP A 2 16.867 -9.297 -15.992 1.00 0.00 H new ATOM 0 HA ASP A 2 15.777 -6.616 -15.961 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.263 -7.197 -18.233 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.620 -8.755 -17.752 1.00 0.00 H new ATOM 30 N MET A 3 15.087 -7.691 -13.848 1.00 0.00 N ATOM 31 CA MET A 3 14.434 -8.030 -12.610 1.00 0.00 C ATOM 32 C MET A 3 14.803 -6.995 -11.584 1.00 0.00 C ATOM 33 O MET A 3 15.778 -7.149 -10.840 1.00 0.00 O ATOM 34 CB MET A 3 14.799 -9.439 -12.084 1.00 0.00 C ATOM 35 CG MET A 3 14.132 -9.762 -10.750 1.00 0.00 C ATOM 36 SD MET A 3 14.680 -11.313 -10.019 1.00 0.00 S ATOM 37 CE MET A 3 13.864 -11.200 -8.427 1.00 0.00 C ATOM 0 H MET A 3 15.779 -6.949 -13.746 1.00 0.00 H new ATOM 0 HA MET A 3 13.360 -8.045 -12.797 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.505 -10.185 -12.822 1.00 0.00 H new ATOM 0 HB3 MET A 3 15.881 -9.511 -11.971 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.331 -8.951 -10.049 1.00 0.00 H new ATOM 0 HG3 MET A 3 13.052 -9.801 -10.894 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.095 -12.086 -7.836 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.214 -10.312 -7.901 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.786 -11.133 -8.575 1.00 0.00 H new ATOM 47 N GLU A 4 14.102 -5.912 -11.596 1.00 0.00 N ATOM 48 CA GLU A 4 14.349 -4.880 -10.644 1.00 0.00 C ATOM 49 C GLU A 4 13.390 -5.035 -9.498 1.00 0.00 C ATOM 50 O GLU A 4 12.225 -5.394 -9.721 1.00 0.00 O ATOM 51 CB GLU A 4 14.154 -3.494 -11.251 1.00 0.00 C ATOM 52 CG GLU A 4 15.049 -3.167 -12.423 1.00 0.00 C ATOM 53 CD GLU A 4 14.923 -1.727 -12.817 1.00 0.00 C ATOM 54 OE1 GLU A 4 13.948 -1.368 -13.520 1.00 0.00 O ATOM 55 OE2 GLU A 4 15.782 -0.909 -12.393 1.00 0.00 O ATOM 0 H GLU A 4 13.350 -5.717 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 4 15.383 -4.970 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.116 -3.399 -11.571 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.317 -2.749 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.085 -3.387 -12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.790 -3.802 -13.270 1.00 0.00 H new ATOM 62 N PRO A 5 13.850 -4.863 -8.256 1.00 0.00 N ATOM 63 CA PRO A 5 12.959 -4.783 -7.124 1.00 0.00 C ATOM 64 C PRO A 5 12.242 -3.438 -7.174 1.00 0.00 C ATOM 65 O PRO A 5 12.749 -2.413 -6.692 1.00 0.00 O ATOM 66 CB PRO A 5 13.883 -4.866 -5.899 1.00 0.00 C ATOM 67 CG PRO A 5 15.187 -5.331 -6.449 1.00 0.00 C ATOM 68 CD PRO A 5 15.253 -4.790 -7.842 1.00 0.00 C ATOM 0 HA PRO A 5 12.201 -5.566 -7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.981 -3.897 -5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.495 -5.562 -5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.019 -4.965 -5.847 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.247 -6.419 -6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 5 15.635 -3.769 -7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 5 15.901 -5.388 -8.483 1.00 0.00 H new ATOM 76 N CYS A 6 11.140 -3.429 -7.848 1.00 0.00 N ATOM 77 CA CYS A 6 10.383 -2.240 -8.086 1.00 0.00 C ATOM 78 C CYS A 6 9.445 -1.957 -6.922 1.00 0.00 C ATOM 79 O CYS A 6 9.599 -2.538 -5.840 1.00 0.00 O ATOM 80 CB CYS A 6 9.607 -2.427 -9.383 1.00 0.00 C ATOM 81 SG CYS A 6 10.658 -2.776 -10.812 1.00 0.00 S ATOM 0 H CYS A 6 10.729 -4.267 -8.259 1.00 0.00 H new ATOM 0 HA CYS A 6 11.049 -1.382 -8.175 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.897 -3.244 -9.257 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.025 -1.527 -9.582 1.00 0.00 H new ATOM 0 HG CYS A 6 11.312 -3.881 -10.610 1.00 0.00 H new ATOM 87 N LEU A 7 8.508 -1.040 -7.130 1.00 0.00 N ATOM 88 CA LEU A 7 7.495 -0.723 -6.136 1.00 0.00 C ATOM 89 C LEU A 7 6.700 -1.984 -5.777 1.00 0.00 C ATOM 90 O LEU A 7 6.303 -2.175 -4.628 1.00 0.00 O ATOM 91 CB LEU A 7 6.545 0.426 -6.610 1.00 0.00 C ATOM 92 CG LEU A 7 5.559 0.159 -7.792 1.00 0.00 C ATOM 93 CD1 LEU A 7 4.656 1.360 -7.992 1.00 0.00 C ATOM 94 CD2 LEU A 7 6.280 -0.149 -9.104 1.00 0.00 C ATOM 0 H LEU A 7 8.431 -0.498 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 7 8.004 -0.360 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.951 0.736 -5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.170 1.275 -6.889 1.00 0.00 H new ATOM 0 HG LEU A 7 4.974 -0.720 -7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.971 1.167 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.085 1.541 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.262 2.237 -8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.546 -0.326 -9.890 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.910 0.696 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.899 -1.037 -8.979 1.00 0.00 H new ATOM 106 N THR A 8 6.521 -2.837 -6.760 1.00 0.00 N ATOM 107 CA THR A 8 5.852 -4.093 -6.628 1.00 0.00 C ATOM 108 C THR A 8 6.584 -4.993 -5.613 1.00 0.00 C ATOM 109 O THR A 8 7.761 -5.329 -5.795 1.00 0.00 O ATOM 110 CB THR A 8 5.861 -4.769 -7.992 1.00 0.00 C ATOM 111 OG1 THR A 8 5.575 -3.760 -8.986 1.00 0.00 O ATOM 112 CG2 THR A 8 4.799 -5.853 -8.057 1.00 0.00 C ATOM 0 H THR A 8 6.854 -2.659 -7.708 1.00 0.00 H new ATOM 0 HA THR A 8 4.834 -3.933 -6.274 1.00 0.00 H new ATOM 0 HB THR A 8 6.832 -5.230 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.407 -3.491 -9.428 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.820 -6.325 -9.039 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.996 -6.602 -7.290 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.817 -5.411 -7.888 1.00 0.00 H new ATOM 120 N GLY A 9 5.892 -5.351 -4.552 1.00 0.00 N ATOM 121 CA GLY A 9 6.473 -6.197 -3.534 1.00 0.00 C ATOM 122 C GLY A 9 6.837 -5.426 -2.285 1.00 0.00 C ATOM 123 O GLY A 9 7.144 -6.012 -1.254 1.00 0.00 O ATOM 0 H GLY A 9 4.928 -5.069 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.769 -6.988 -3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.365 -6.681 -3.932 1.00 0.00 H new ATOM 127 N THR A 10 6.800 -4.120 -2.377 1.00 0.00 N ATOM 128 CA THR A 10 7.123 -3.274 -1.254 1.00 0.00 C ATOM 129 C THR A 10 5.939 -3.227 -0.307 1.00 0.00 C ATOM 130 O THR A 10 4.797 -2.969 -0.740 1.00 0.00 O ATOM 131 CB THR A 10 7.412 -1.853 -1.741 1.00 0.00 C ATOM 132 OG1 THR A 10 8.363 -1.910 -2.808 1.00 0.00 O ATOM 133 CG2 THR A 10 7.956 -0.974 -0.624 1.00 0.00 C ATOM 0 H THR A 10 6.547 -3.615 -3.226 1.00 0.00 H new ATOM 0 HA THR A 10 8.000 -3.676 -0.746 1.00 0.00 H new ATOM 0 HB THR A 10 6.476 -1.413 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.900 -2.109 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.149 0.027 -1.010 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.226 -0.918 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.884 -1.401 -0.244 1.00 0.00 H new ATOM 141 N LYS A 11 6.181 -3.494 0.949 1.00 0.00 N ATOM 142 CA LYS A 11 5.126 -3.421 1.905 1.00 0.00 C ATOM 143 C LYS A 11 5.101 -2.045 2.542 1.00 0.00 C ATOM 144 O LYS A 11 6.105 -1.558 3.089 1.00 0.00 O ATOM 145 CB LYS A 11 5.101 -4.624 2.907 1.00 0.00 C ATOM 146 CG LYS A 11 6.201 -4.735 3.972 1.00 0.00 C ATOM 147 CD LYS A 11 5.922 -3.847 5.186 1.00 0.00 C ATOM 148 CE LYS A 11 6.908 -4.115 6.304 1.00 0.00 C ATOM 149 NZ LYS A 11 6.697 -3.226 7.466 1.00 0.00 N ATOM 0 H LYS A 11 7.091 -3.761 1.324 1.00 0.00 H new ATOM 0 HA LYS A 11 4.177 -3.539 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.143 -4.598 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.120 -5.541 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.288 -5.772 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.159 -4.457 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.978 -2.799 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.908 -4.024 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.818 -5.153 6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.923 -3.984 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.427 -3.413 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.758 -2.234 7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.757 -3.405 7.874 1.00 0.00 H new ATOM 163 N VAL A 12 3.990 -1.408 2.402 1.00 0.00 N ATOM 164 CA VAL A 12 3.787 -0.059 2.853 1.00 0.00 C ATOM 165 C VAL A 12 2.615 -0.025 3.795 1.00 0.00 C ATOM 166 O VAL A 12 1.992 -1.053 4.046 1.00 0.00 O ATOM 167 CB VAL A 12 3.466 0.870 1.650 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.632 0.915 0.680 1.00 0.00 C ATOM 169 CG2 VAL A 12 2.198 0.391 0.930 1.00 0.00 C ATOM 0 H VAL A 12 3.168 -1.817 1.958 1.00 0.00 H new ATOM 0 HA VAL A 12 4.695 0.283 3.350 1.00 0.00 H new ATOM 0 HB VAL A 12 3.296 1.877 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.386 1.571 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.516 1.295 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.833 -0.089 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.985 1.051 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.349 -0.625 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.358 0.406 1.624 1.00 0.00 H new ATOM 179 N LYS A 13 2.301 1.125 4.306 1.00 0.00 N ATOM 180 CA LYS A 13 1.126 1.258 5.098 1.00 0.00 C ATOM 181 C LYS A 13 0.100 2.028 4.369 1.00 0.00 C ATOM 182 O LYS A 13 0.412 2.933 3.612 1.00 0.00 O ATOM 183 CB LYS A 13 1.371 1.811 6.493 1.00 0.00 C ATOM 184 CG LYS A 13 1.909 0.763 7.438 1.00 0.00 C ATOM 185 CD LYS A 13 2.065 1.280 8.844 1.00 0.00 C ATOM 186 CE LYS A 13 3.096 2.364 8.911 1.00 0.00 C ATOM 187 NZ LYS A 13 3.285 2.844 10.288 1.00 0.00 N ATOM 0 H LYS A 13 2.843 1.981 4.187 1.00 0.00 H new ATOM 0 HA LYS A 13 0.754 0.247 5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.076 2.640 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.439 2.212 6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.238 -0.096 7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.875 0.412 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.109 1.661 9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.350 0.462 9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.043 1.991 8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.794 3.195 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.005 3.594 10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.386 3.222 10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.597 2.056 10.891 1.00 0.00 H new ATOM 201 N VAL A 14 -1.098 1.643 4.562 1.00 0.00 N ATOM 202 CA VAL A 14 -2.206 2.235 3.912 1.00 0.00 C ATOM 203 C VAL A 14 -3.152 2.767 4.945 1.00 0.00 C ATOM 204 O VAL A 14 -3.536 2.046 5.860 1.00 0.00 O ATOM 205 CB VAL A 14 -2.948 1.189 3.056 1.00 0.00 C ATOM 206 CG1 VAL A 14 -4.195 1.783 2.443 1.00 0.00 C ATOM 207 CG2 VAL A 14 -2.039 0.640 1.972 1.00 0.00 C ATOM 0 H VAL A 14 -1.348 0.884 5.196 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.849 3.039 3.268 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.243 0.368 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.702 1.027 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.862 2.125 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.922 2.626 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.582 -0.096 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.710 1.454 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.170 0.167 2.430 1.00 0.00 H new ATOM 217 N LYS A 15 -3.522 3.990 4.794 1.00 0.00 N ATOM 218 CA LYS A 15 -4.462 4.618 5.659 1.00 0.00 C ATOM 219 C LYS A 15 -5.747 4.765 4.861 1.00 0.00 C ATOM 220 O LYS A 15 -5.857 5.617 3.973 1.00 0.00 O ATOM 221 CB LYS A 15 -3.903 5.976 6.057 1.00 0.00 C ATOM 222 CG LYS A 15 -4.746 6.761 7.028 1.00 0.00 C ATOM 223 CD LYS A 15 -4.099 8.104 7.358 1.00 0.00 C ATOM 224 CE LYS A 15 -2.757 7.924 8.047 1.00 0.00 C ATOM 225 NZ LYS A 15 -2.128 9.205 8.378 1.00 0.00 N ATOM 0 H LYS A 15 -3.173 4.596 4.051 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.652 4.046 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.916 5.830 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.767 6.573 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.736 6.926 6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.883 6.185 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.964 8.678 6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.764 8.681 8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.894 7.342 8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.092 7.351 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.215 9.033 8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.973 9.751 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.749 9.742 9.017 1.00 0.00 H new ATOM 239 N TYR A 16 -6.700 3.926 5.150 1.00 0.00 N ATOM 240 CA TYR A 16 -7.893 3.834 4.347 1.00 0.00 C ATOM 241 C TYR A 16 -9.106 3.683 5.242 1.00 0.00 C ATOM 242 O TYR A 16 -9.248 2.687 5.966 1.00 0.00 O ATOM 243 CB TYR A 16 -7.742 2.615 3.434 1.00 0.00 C ATOM 244 CG TYR A 16 -8.743 2.459 2.311 1.00 0.00 C ATOM 245 CD1 TYR A 16 -8.538 3.091 1.093 1.00 0.00 C ATOM 246 CD2 TYR A 16 -9.852 1.634 2.441 1.00 0.00 C ATOM 247 CE1 TYR A 16 -9.404 2.906 0.037 1.00 0.00 C ATOM 248 CE2 TYR A 16 -10.731 1.454 1.389 1.00 0.00 C ATOM 249 CZ TYR A 16 -10.498 2.091 0.186 1.00 0.00 C ATOM 250 OH TYR A 16 -11.355 1.896 -0.890 1.00 0.00 O ATOM 0 H TYR A 16 -6.676 3.287 5.945 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.029 4.736 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.745 2.644 2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.790 1.721 4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.684 3.740 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.031 1.126 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.222 3.401 -0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.596 0.818 1.508 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.080 1.292 -0.625 1.00 0.00 H new ATOM 260 N GLY A 17 -9.914 4.691 5.269 1.00 0.00 N ATOM 261 CA GLY A 17 -11.118 4.640 6.012 1.00 0.00 C ATOM 262 C GLY A 17 -11.867 5.920 5.901 1.00 0.00 C ATOM 263 O GLY A 17 -11.336 6.908 5.368 1.00 0.00 O ATOM 0 H GLY A 17 -9.754 5.569 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.738 3.819 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.895 4.434 7.059 1.00 0.00 H new ATOM 267 N ARG A 18 -13.068 5.923 6.376 1.00 0.00 N ATOM 268 CA ARG A 18 -13.885 7.100 6.336 1.00 0.00 C ATOM 269 C ARG A 18 -14.031 7.715 7.743 1.00 0.00 C ATOM 270 O ARG A 18 -14.724 7.173 8.619 1.00 0.00 O ATOM 271 CB ARG A 18 -15.248 6.765 5.697 1.00 0.00 C ATOM 272 CG ARG A 18 -16.049 5.713 6.447 1.00 0.00 C ATOM 273 CD ARG A 18 -17.279 5.295 5.703 1.00 0.00 C ATOM 274 NE ARG A 18 -18.068 4.324 6.470 1.00 0.00 N ATOM 275 CZ ARG A 18 -18.451 3.120 6.030 1.00 0.00 C ATOM 276 NH1 ARG A 18 -18.143 2.724 4.799 1.00 0.00 N ATOM 277 NH2 ARG A 18 -19.164 2.322 6.817 1.00 0.00 N ATOM 0 H ARG A 18 -13.515 5.112 6.804 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.403 7.855 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.840 7.678 5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.083 6.420 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.421 4.840 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.334 6.105 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.890 6.171 5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.995 4.859 4.745 1.00 0.00 H new ATOM 0 HE ARG A 18 -18.347 4.588 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.611 3.339 4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.438 1.805 4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.419 2.627 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.456 1.404 6.482 1.00 0.00 H new ATOM 291 N GLY A 19 -13.332 8.808 7.958 1.00 0.00 N ATOM 292 CA GLY A 19 -13.407 9.551 9.208 1.00 0.00 C ATOM 293 C GLY A 19 -12.903 8.765 10.403 1.00 0.00 C ATOM 294 O GLY A 19 -11.700 8.539 10.551 1.00 0.00 O ATOM 0 H GLY A 19 -12.693 9.212 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.825 10.468 9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.441 9.846 9.386 1.00 0.00 H new ATOM 298 N LYS A 20 -13.829 8.338 11.235 1.00 0.00 N ATOM 299 CA LYS A 20 -13.528 7.566 12.428 1.00 0.00 C ATOM 300 C LYS A 20 -13.149 6.137 12.055 1.00 0.00 C ATOM 301 O LYS A 20 -12.310 5.505 12.708 1.00 0.00 O ATOM 302 CB LYS A 20 -14.742 7.562 13.363 1.00 0.00 C ATOM 303 CG LYS A 20 -14.556 6.735 14.623 1.00 0.00 C ATOM 304 CD LYS A 20 -15.803 6.739 15.478 1.00 0.00 C ATOM 305 CE LYS A 20 -15.637 5.841 16.687 1.00 0.00 C ATOM 306 NZ LYS A 20 -15.467 4.408 16.313 1.00 0.00 N ATOM 0 H LYS A 20 -14.824 8.518 11.103 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.683 8.025 12.941 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.971 8.589 13.647 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.606 7.182 12.817 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.302 5.710 14.352 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.718 7.129 15.198 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.021 7.756 15.804 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.655 6.404 14.886 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.771 6.168 17.263 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.508 5.944 17.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.611 3.811 17.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.164 4.155 15.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.507 4.258 15.942 1.00 0.00 H new ATOM 320 N THR A 21 -13.697 5.675 10.959 1.00 0.00 N ATOM 321 CA THR A 21 -13.516 4.316 10.469 1.00 0.00 C ATOM 322 C THR A 21 -12.157 4.198 9.685 1.00 0.00 C ATOM 323 O THR A 21 -11.976 3.373 8.793 1.00 0.00 O ATOM 324 CB THR A 21 -14.739 4.010 9.565 1.00 0.00 C ATOM 325 OG1 THR A 21 -15.922 4.471 10.266 1.00 0.00 O ATOM 326 CG2 THR A 21 -14.898 2.518 9.310 1.00 0.00 C ATOM 0 H THR A 21 -14.298 6.242 10.362 1.00 0.00 H new ATOM 0 HA THR A 21 -13.463 3.593 11.283 1.00 0.00 H new ATOM 0 HB THR A 21 -14.598 4.507 8.605 1.00 0.00 H new ATOM 0 HG1 THR A 21 -16.716 4.294 9.720 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.766 2.348 8.673 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.005 2.136 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.037 2.000 10.259 1.00 0.00 H new ATOM 334 N GLN A 22 -11.211 5.010 10.102 1.00 0.00 N ATOM 335 CA GLN A 22 -9.886 5.115 9.530 1.00 0.00 C ATOM 336 C GLN A 22 -9.024 3.923 9.979 1.00 0.00 C ATOM 337 O GLN A 22 -8.749 3.768 11.178 1.00 0.00 O ATOM 338 CB GLN A 22 -9.287 6.417 10.062 1.00 0.00 C ATOM 339 CG GLN A 22 -7.989 6.891 9.431 1.00 0.00 C ATOM 340 CD GLN A 22 -8.149 7.372 8.002 1.00 0.00 C ATOM 341 OE1 GLN A 22 -8.959 6.876 7.238 1.00 0.00 O ATOM 342 NE2 GLN A 22 -7.416 8.384 7.658 1.00 0.00 N ATOM 0 H GLN A 22 -11.351 5.646 10.887 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.925 5.111 8.441 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.030 7.205 9.940 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.119 6.299 11.133 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.576 7.700 10.034 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.265 6.076 9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.747 8.777 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.508 8.787 6.726 1.00 0.00 H new ATOM 351 N LYS A 23 -8.642 3.072 9.043 1.00 0.00 N ATOM 352 CA LYS A 23 -7.782 1.933 9.347 1.00 0.00 C ATOM 353 C LYS A 23 -6.434 2.095 8.671 1.00 0.00 C ATOM 354 O LYS A 23 -6.372 2.492 7.505 1.00 0.00 O ATOM 355 CB LYS A 23 -8.378 0.606 8.862 1.00 0.00 C ATOM 356 CG LYS A 23 -9.629 0.102 9.545 1.00 0.00 C ATOM 357 CD LYS A 23 -9.990 -1.244 8.950 1.00 0.00 C ATOM 358 CE LYS A 23 -11.269 -1.823 9.481 1.00 0.00 C ATOM 359 NZ LYS A 23 -11.206 -2.174 10.915 1.00 0.00 N ATOM 0 H LYS A 23 -8.913 3.145 8.062 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.682 1.908 10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.594 0.705 7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.610 -0.162 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.464 0.010 10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.447 0.809 9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.071 -1.141 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.178 -1.945 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.075 -1.106 9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.521 -2.715 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.120 -2.568 11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.458 -2.880 11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.995 -1.321 11.472 1.00 0.00 H new ATOM 373 N ILE A 24 -5.367 1.831 9.395 1.00 0.00 N ATOM 374 CA ILE A 24 -4.042 1.808 8.818 1.00 0.00 C ATOM 375 C ILE A 24 -3.562 0.357 8.764 1.00 0.00 C ATOM 376 O ILE A 24 -3.354 -0.281 9.809 1.00 0.00 O ATOM 377 CB ILE A 24 -3.050 2.632 9.661 1.00 0.00 C ATOM 378 CG1 ILE A 24 -3.575 4.055 9.846 1.00 0.00 C ATOM 379 CG2 ILE A 24 -1.670 2.658 8.993 1.00 0.00 C ATOM 380 CD1 ILE A 24 -2.811 4.836 10.873 1.00 0.00 C ATOM 0 H ILE A 24 -5.394 1.628 10.394 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.087 2.244 7.820 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.951 2.162 10.640 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.529 4.580 8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.625 4.013 10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.982 3.244 9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.293 1.640 8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.753 3.108 8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.233 5.837 10.957 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.878 4.332 11.837 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.766 4.907 10.573 1.00 0.00 H new ATOM 392 N TYR A 25 -3.424 -0.167 7.576 1.00 0.00 N ATOM 393 CA TYR A 25 -2.991 -1.547 7.385 1.00 0.00 C ATOM 394 C TYR A 25 -1.605 -1.526 6.768 1.00 0.00 C ATOM 395 O TYR A 25 -1.164 -0.481 6.297 1.00 0.00 O ATOM 396 CB TYR A 25 -3.873 -2.318 6.385 1.00 0.00 C ATOM 397 CG TYR A 25 -5.307 -1.874 6.183 1.00 0.00 C ATOM 398 CD1 TYR A 25 -6.344 -2.312 6.999 1.00 0.00 C ATOM 399 CD2 TYR A 25 -5.628 -1.067 5.103 1.00 0.00 C ATOM 400 CE1 TYR A 25 -7.645 -1.937 6.738 1.00 0.00 C ATOM 401 CE2 TYR A 25 -6.921 -0.710 4.833 1.00 0.00 C ATOM 402 CZ TYR A 25 -7.926 -1.141 5.650 1.00 0.00 C ATOM 403 OH TYR A 25 -9.229 -0.798 5.359 1.00 0.00 O ATOM 0 H TYR A 25 -3.605 0.339 6.709 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.037 -2.031 8.360 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.378 -2.285 5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.892 -3.362 6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.129 -2.950 7.843 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.838 -0.711 4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.443 -2.267 7.386 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.145 -0.090 3.978 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.245 0.068 4.901 1.00 0.00 H new ATOM 413 N GLU A 26 -0.936 -2.656 6.761 1.00 0.00 N ATOM 414 CA GLU A 26 0.303 -2.796 6.020 1.00 0.00 C ATOM 415 C GLU A 26 -0.014 -3.662 4.812 1.00 0.00 C ATOM 416 O GLU A 26 -0.487 -4.801 4.950 1.00 0.00 O ATOM 417 CB GLU A 26 1.433 -3.448 6.847 1.00 0.00 C ATOM 418 CG GLU A 26 1.965 -2.613 8.011 1.00 0.00 C ATOM 419 CD GLU A 26 3.086 -3.300 8.755 1.00 0.00 C ATOM 420 OE1 GLU A 26 2.811 -4.150 9.612 1.00 0.00 O ATOM 421 OE2 GLU A 26 4.272 -2.960 8.536 1.00 0.00 O ATOM 0 H GLU A 26 -1.228 -3.496 7.261 1.00 0.00 H new ATOM 0 HA GLU A 26 0.669 -1.807 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.070 -4.397 7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.263 -3.677 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.319 -1.654 7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.150 -2.402 8.704 1.00 0.00 H new ATOM 428 N ALA A 27 0.192 -3.120 3.651 1.00 0.00 N ATOM 429 CA ALA A 27 -0.142 -3.791 2.423 1.00 0.00 C ATOM 430 C ALA A 27 1.071 -3.831 1.523 1.00 0.00 C ATOM 431 O ALA A 27 2.092 -3.277 1.858 1.00 0.00 O ATOM 432 CB ALA A 27 -1.330 -3.101 1.741 1.00 0.00 C ATOM 0 H ALA A 27 0.599 -2.194 3.523 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.442 -4.817 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.569 -3.621 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.195 -3.125 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.071 -2.066 1.520 1.00 0.00 H new ATOM 438 N SER A 28 0.959 -4.446 0.386 1.00 0.00 N ATOM 439 CA SER A 28 2.086 -4.580 -0.499 1.00 0.00 C ATOM 440 C SER A 28 1.714 -4.127 -1.888 1.00 0.00 C ATOM 441 O SER A 28 0.672 -4.548 -2.428 1.00 0.00 O ATOM 442 CB SER A 28 2.634 -6.013 -0.471 1.00 0.00 C ATOM 443 OG SER A 28 1.586 -6.976 -0.619 1.00 0.00 O ATOM 0 H SER A 28 0.095 -4.867 0.043 1.00 0.00 H new ATOM 0 HA SER A 28 2.892 -3.933 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.363 -6.141 -1.271 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.158 -6.185 0.469 1.00 0.00 H new ATOM 0 HG SER A 28 0.764 -6.630 -0.213 1.00 0.00 H new ATOM 449 N ILE A 29 2.518 -3.242 -2.430 1.00 0.00 N ATOM 450 CA ILE A 29 2.253 -2.628 -3.723 1.00 0.00 C ATOM 451 C ILE A 29 2.318 -3.680 -4.814 1.00 0.00 C ATOM 452 O ILE A 29 3.260 -4.475 -4.856 1.00 0.00 O ATOM 453 CB ILE A 29 3.277 -1.501 -4.035 1.00 0.00 C ATOM 454 CG1 ILE A 29 3.316 -0.445 -2.905 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.949 -0.838 -5.371 1.00 0.00 C ATOM 456 CD1 ILE A 29 2.034 0.363 -2.743 1.00 0.00 C ATOM 0 H ILE A 29 3.380 -2.922 -1.989 1.00 0.00 H new ATOM 0 HA ILE A 29 1.256 -2.188 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 29 4.265 -1.957 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.533 -0.949 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.140 0.242 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.675 -0.051 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.988 -1.583 -6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.949 -0.406 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.154 1.077 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.823 0.900 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.206 -0.309 -2.517 1.00 0.00 H new ATOM 468 N LYS A 30 1.306 -3.720 -5.654 1.00 0.00 N ATOM 469 CA LYS A 30 1.274 -4.674 -6.720 1.00 0.00 C ATOM 470 C LYS A 30 1.272 -3.937 -8.077 1.00 0.00 C ATOM 471 O LYS A 30 1.973 -4.329 -8.999 1.00 0.00 O ATOM 472 CB LYS A 30 0.050 -5.603 -6.533 1.00 0.00 C ATOM 473 CG LYS A 30 0.156 -6.990 -7.196 1.00 0.00 C ATOM 474 CD LYS A 30 -0.056 -6.973 -8.699 1.00 0.00 C ATOM 475 CE LYS A 30 -1.496 -6.621 -9.053 1.00 0.00 C ATOM 476 NZ LYS A 30 -2.470 -7.569 -8.447 1.00 0.00 N ATOM 0 H LYS A 30 0.498 -3.099 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 30 2.164 -5.303 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.117 -5.743 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.831 -5.097 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.139 -7.409 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.579 -7.655 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.620 -6.250 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.194 -7.949 -9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.716 -5.609 -8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.614 -6.625 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.430 -7.333 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.237 -8.540 -8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.425 -7.498 -7.410 1.00 0.00 H new ATOM 490 N SER A 31 0.490 -2.868 -8.194 1.00 0.00 N ATOM 491 CA SER A 31 0.437 -2.063 -9.429 1.00 0.00 C ATOM 492 C SER A 31 -0.091 -0.651 -9.114 1.00 0.00 C ATOM 493 O SER A 31 -0.556 -0.408 -7.997 1.00 0.00 O ATOM 494 CB SER A 31 -0.470 -2.743 -10.477 1.00 0.00 C ATOM 495 OG SER A 31 0.002 -4.048 -10.815 1.00 0.00 O ATOM 0 H SER A 31 -0.121 -2.531 -7.450 1.00 0.00 H new ATOM 0 HA SER A 31 1.444 -1.985 -9.838 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.486 -2.812 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.513 -2.127 -11.375 1.00 0.00 H new ATOM 0 HG SER A 31 0.916 -4.162 -10.480 1.00 0.00 H new ATOM 501 N THR A 32 -0.012 0.262 -10.079 1.00 0.00 N ATOM 502 CA THR A 32 -0.511 1.621 -9.912 1.00 0.00 C ATOM 503 C THR A 32 -1.248 2.026 -11.173 1.00 0.00 C ATOM 504 O THR A 32 -0.801 1.692 -12.269 1.00 0.00 O ATOM 505 CB THR A 32 0.648 2.616 -9.760 1.00 0.00 C ATOM 506 OG1 THR A 32 1.825 1.927 -9.337 1.00 0.00 O ATOM 507 CG2 THR A 32 0.311 3.638 -8.720 1.00 0.00 C ATOM 0 H THR A 32 0.398 0.080 -10.995 1.00 0.00 H new ATOM 0 HA THR A 32 -1.148 1.639 -9.028 1.00 0.00 H new ATOM 0 HB THR A 32 0.816 3.099 -10.723 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.215 2.389 -8.566 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.139 4.340 -8.618 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.588 4.177 -9.018 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.137 3.142 -7.765 1.00 0.00 H new ATOM 515 N GLU A 33 -2.347 2.725 -11.030 1.00 0.00 N ATOM 516 CA GLU A 33 -3.093 3.264 -12.163 1.00 0.00 C ATOM 517 C GLU A 33 -3.702 4.585 -11.802 1.00 0.00 C ATOM 518 O GLU A 33 -3.917 4.876 -10.636 1.00 0.00 O ATOM 519 CB GLU A 33 -4.168 2.312 -12.716 1.00 0.00 C ATOM 520 CG GLU A 33 -3.598 1.135 -13.480 1.00 0.00 C ATOM 521 CD GLU A 33 -4.646 0.292 -14.156 1.00 0.00 C ATOM 522 OE1 GLU A 33 -5.142 0.698 -15.227 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.978 -0.796 -13.647 1.00 0.00 O ATOM 0 H GLU A 33 -2.760 2.943 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.368 3.394 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.772 1.940 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.835 2.872 -13.372 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.900 1.504 -14.231 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.027 0.509 -12.794 1.00 0.00 H new ATOM 530 N ILE A 34 -3.954 5.386 -12.780 1.00 0.00 N ATOM 531 CA ILE A 34 -4.529 6.692 -12.551 1.00 0.00 C ATOM 532 C ILE A 34 -5.944 6.654 -13.042 1.00 0.00 C ATOM 533 O ILE A 34 -6.193 6.311 -14.199 1.00 0.00 O ATOM 534 CB ILE A 34 -3.746 7.857 -13.267 1.00 0.00 C ATOM 535 CG1 ILE A 34 -2.327 8.074 -12.694 1.00 0.00 C ATOM 536 CG2 ILE A 34 -4.522 9.173 -13.182 1.00 0.00 C ATOM 537 CD1 ILE A 34 -1.347 6.937 -12.869 1.00 0.00 C ATOM 0 H ILE A 34 -3.773 5.168 -13.760 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.473 6.907 -11.484 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.644 7.548 -14.307 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.904 8.964 -13.160 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.418 8.285 -11.628 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.959 9.960 -13.684 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.492 9.055 -13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.668 9.442 -12.136 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.389 7.211 -12.426 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.733 6.045 -12.376 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.211 6.734 -13.931 1.00 0.00 H new ATOM 549 N ASP A 35 -6.860 6.993 -12.192 1.00 0.00 N ATOM 550 CA ASP A 35 -8.255 6.919 -12.544 1.00 0.00 C ATOM 551 C ASP A 35 -8.906 8.268 -12.293 1.00 0.00 C ATOM 552 O ASP A 35 -9.133 8.668 -11.144 1.00 0.00 O ATOM 553 CB ASP A 35 -8.945 5.803 -11.750 1.00 0.00 C ATOM 554 CG ASP A 35 -10.314 5.440 -12.283 1.00 0.00 C ATOM 555 OD1 ASP A 35 -11.301 6.122 -11.954 1.00 0.00 O ATOM 556 OD2 ASP A 35 -10.429 4.431 -13.026 1.00 0.00 O ATOM 0 H ASP A 35 -6.674 7.325 -11.246 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.357 6.677 -13.602 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.312 4.915 -11.761 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.040 6.114 -10.709 1.00 0.00 H new ATOM 561 N ASP A 36 -9.144 8.973 -13.386 1.00 0.00 N ATOM 562 CA ASP A 36 -9.711 10.329 -13.420 1.00 0.00 C ATOM 563 C ASP A 36 -8.964 11.312 -12.514 1.00 0.00 C ATOM 564 O ASP A 36 -9.448 11.733 -11.461 1.00 0.00 O ATOM 565 CB ASP A 36 -11.240 10.372 -13.215 1.00 0.00 C ATOM 566 CG ASP A 36 -11.832 11.766 -13.436 1.00 0.00 C ATOM 567 OD1 ASP A 36 -11.801 12.272 -14.577 1.00 0.00 O ATOM 568 OD2 ASP A 36 -12.349 12.380 -12.476 1.00 0.00 O ATOM 0 H ASP A 36 -8.942 8.610 -14.317 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.551 10.674 -14.441 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.713 9.669 -13.901 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.475 10.039 -12.204 1.00 0.00 H new ATOM 573 N GLY A 37 -7.716 11.543 -12.864 1.00 0.00 N ATOM 574 CA GLY A 37 -6.896 12.542 -12.191 1.00 0.00 C ATOM 575 C GLY A 37 -6.180 12.064 -10.927 1.00 0.00 C ATOM 576 O GLY A 37 -5.109 12.575 -10.593 1.00 0.00 O ATOM 0 H GLY A 37 -7.239 11.049 -13.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.148 12.907 -12.895 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.529 13.390 -11.930 1.00 0.00 H new ATOM 580 N GLU A 38 -6.710 11.071 -10.248 1.00 0.00 N ATOM 581 CA GLU A 38 -6.108 10.634 -8.994 1.00 0.00 C ATOM 582 C GLU A 38 -5.423 9.290 -9.153 1.00 0.00 C ATOM 583 O GLU A 38 -5.834 8.468 -9.991 1.00 0.00 O ATOM 584 CB GLU A 38 -7.139 10.658 -7.847 1.00 0.00 C ATOM 585 CG GLU A 38 -8.360 9.775 -8.050 1.00 0.00 C ATOM 586 CD GLU A 38 -9.501 10.146 -7.121 1.00 0.00 C ATOM 587 OE1 GLU A 38 -9.432 9.885 -5.917 1.00 0.00 O ATOM 588 OE2 GLU A 38 -10.495 10.717 -7.603 1.00 0.00 O ATOM 0 H GLU A 38 -7.542 10.554 -10.531 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.326 11.342 -8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.641 10.354 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.474 11.685 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.696 9.855 -9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.084 8.734 -7.885 1.00 0.00 H new ATOM 595 N VAL A 39 -4.372 9.072 -8.380 1.00 0.00 N ATOM 596 CA VAL A 39 -3.576 7.873 -8.543 1.00 0.00 C ATOM 597 C VAL A 39 -3.972 6.845 -7.540 1.00 0.00 C ATOM 598 O VAL A 39 -3.986 7.094 -6.327 1.00 0.00 O ATOM 599 CB VAL A 39 -2.045 8.120 -8.449 1.00 0.00 C ATOM 600 CG1 VAL A 39 -1.238 6.911 -8.970 1.00 0.00 C ATOM 601 CG2 VAL A 39 -1.636 9.418 -9.140 1.00 0.00 C ATOM 0 H VAL A 39 -4.055 9.702 -7.643 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.779 7.519 -9.554 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.803 8.234 -7.392 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.172 7.122 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.480 6.029 -8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.492 6.727 -10.014 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.558 9.553 -9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.910 9.371 -10.194 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.147 10.258 -8.669 1.00 0.00 H new ATOM 611 N LEU A 40 -4.291 5.706 -8.049 1.00 0.00 N ATOM 612 CA LEU A 40 -4.703 4.613 -7.269 1.00 0.00 C ATOM 613 C LEU A 40 -3.649 3.552 -7.349 1.00 0.00 C ATOM 614 O LEU A 40 -3.068 3.297 -8.409 1.00 0.00 O ATOM 615 CB LEU A 40 -6.022 4.047 -7.791 1.00 0.00 C ATOM 616 CG LEU A 40 -7.187 5.021 -7.915 1.00 0.00 C ATOM 617 CD1 LEU A 40 -8.425 4.298 -8.402 1.00 0.00 C ATOM 618 CD2 LEU A 40 -7.449 5.704 -6.592 1.00 0.00 C ATOM 0 H LEU A 40 -4.269 5.513 -9.050 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.848 4.939 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.839 3.610 -8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.327 3.234 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.926 5.787 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.250 5.005 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.227 3.854 -9.377 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.691 3.514 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.284 6.396 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.692 4.955 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.560 6.254 -6.284 1.00 0.00 H new ATOM 630 N TYR A 41 -3.387 2.969 -6.266 1.00 0.00 N ATOM 631 CA TYR A 41 -2.491 1.885 -6.198 1.00 0.00 C ATOM 632 C TYR A 41 -3.281 0.666 -5.961 1.00 0.00 C ATOM 633 O TYR A 41 -4.331 0.712 -5.313 1.00 0.00 O ATOM 634 CB TYR A 41 -1.490 2.036 -5.061 1.00 0.00 C ATOM 635 CG TYR A 41 -0.363 3.009 -5.293 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.573 4.372 -5.303 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.935 2.547 -5.453 1.00 0.00 C ATOM 638 CE1 TYR A 41 0.480 5.247 -5.465 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.989 3.418 -5.623 1.00 0.00 C ATOM 640 CZ TYR A 41 1.751 4.772 -5.624 1.00 0.00 C ATOM 641 OH TYR A 41 2.800 5.662 -5.775 1.00 0.00 O ATOM 0 H TYR A 41 -3.795 3.231 -5.369 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.931 1.841 -7.132 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.031 2.345 -4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.060 1.057 -4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.574 4.759 -5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.123 1.484 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.299 6.312 -5.466 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.992 3.041 -5.754 1.00 0.00 H new ATOM 0 HH TYR A 41 3.639 5.165 -5.876 1.00 0.00 H new ATOM 651 N LEU A 42 -2.797 -0.396 -6.455 1.00 0.00 N ATOM 652 CA LEU A 42 -3.398 -1.641 -6.262 1.00 0.00 C ATOM 653 C LEU A 42 -2.493 -2.350 -5.300 1.00 0.00 C ATOM 654 O LEU A 42 -1.362 -2.744 -5.646 1.00 0.00 O ATOM 655 CB LEU A 42 -3.494 -2.374 -7.602 1.00 0.00 C ATOM 656 CG LEU A 42 -4.247 -3.696 -7.608 1.00 0.00 C ATOM 657 CD1 LEU A 42 -5.676 -3.496 -7.138 1.00 0.00 C ATOM 658 CD2 LEU A 42 -4.238 -4.295 -8.998 1.00 0.00 C ATOM 0 H LEU A 42 -1.948 -0.423 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.414 -1.578 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.972 -1.708 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.482 -2.558 -7.962 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.748 -4.381 -6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.200 -4.452 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.673 -3.095 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.183 -2.797 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.780 -5.241 -8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.719 -3.607 -9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.209 -4.469 -9.313 1.00 0.00 H new ATOM 670 N VAL A 43 -2.936 -2.414 -4.088 1.00 0.00 N ATOM 671 CA VAL A 43 -2.154 -2.926 -3.019 1.00 0.00 C ATOM 672 C VAL A 43 -2.875 -4.142 -2.451 1.00 0.00 C ATOM 673 O VAL A 43 -4.107 -4.164 -2.356 1.00 0.00 O ATOM 674 CB VAL A 43 -1.954 -1.813 -1.931 1.00 0.00 C ATOM 675 CG1 VAL A 43 -3.120 -1.580 -0.996 1.00 0.00 C ATOM 676 CG2 VAL A 43 -0.616 -1.870 -1.262 1.00 0.00 C ATOM 0 H VAL A 43 -3.868 -2.106 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.165 -3.226 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.947 -0.889 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.867 -0.790 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.996 -1.283 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.339 -2.498 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.545 -1.073 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.497 -2.835 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.169 -1.744 -2.007 1.00 0.00 H new ATOM 686 N HIS A 44 -2.142 -5.162 -2.148 1.00 0.00 N ATOM 687 CA HIS A 44 -2.737 -6.354 -1.576 1.00 0.00 C ATOM 688 C HIS A 44 -2.149 -6.621 -0.222 1.00 0.00 C ATOM 689 O HIS A 44 -0.970 -6.349 0.010 1.00 0.00 O ATOM 690 CB HIS A 44 -2.722 -7.595 -2.528 1.00 0.00 C ATOM 691 CG HIS A 44 -1.389 -8.059 -3.074 1.00 0.00 C ATOM 692 ND1 HIS A 44 -1.182 -9.334 -3.524 1.00 0.00 N ATOM 693 CD2 HIS A 44 -0.231 -7.404 -3.302 1.00 0.00 C ATOM 694 CE1 HIS A 44 0.027 -9.451 -3.999 1.00 0.00 C ATOM 695 NE2 HIS A 44 0.637 -8.289 -3.877 1.00 0.00 N ATOM 0 H HIS A 44 -1.132 -5.207 -2.281 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.801 -6.158 -1.444 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.172 -8.431 -1.993 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.370 -7.373 -3.376 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -1.873 -10.084 -3.493 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.027 -6.369 -3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.456 -10.348 -4.421 1.00 0.00 H new ATOM 704 N TYR A 45 -2.958 -7.100 0.675 1.00 0.00 N ATOM 705 CA TYR A 45 -2.562 -7.246 2.061 1.00 0.00 C ATOM 706 C TYR A 45 -1.933 -8.607 2.270 1.00 0.00 C ATOM 707 O TYR A 45 -2.633 -9.601 2.381 1.00 0.00 O ATOM 708 CB TYR A 45 -3.788 -7.068 2.972 1.00 0.00 C ATOM 709 CG TYR A 45 -4.604 -5.825 2.643 1.00 0.00 C ATOM 710 CD1 TYR A 45 -4.292 -4.596 3.191 1.00 0.00 C ATOM 711 CD2 TYR A 45 -5.684 -5.892 1.764 1.00 0.00 C ATOM 712 CE1 TYR A 45 -5.025 -3.471 2.875 1.00 0.00 C ATOM 713 CE2 TYR A 45 -6.422 -4.771 1.448 1.00 0.00 C ATOM 714 CZ TYR A 45 -6.089 -3.563 2.005 1.00 0.00 C ATOM 715 OH TYR A 45 -6.824 -2.432 1.691 1.00 0.00 O ATOM 0 H TYR A 45 -3.912 -7.403 0.476 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.828 -6.481 2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.427 -7.947 2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.457 -7.014 4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.462 -4.515 3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.948 -6.841 1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.765 -2.517 3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.257 -4.844 0.766 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.933 -1.880 2.493 1.00 0.00 H new ATOM 725 N TYR A 46 -0.622 -8.633 2.325 1.00 0.00 N ATOM 726 CA TYR A 46 0.139 -9.871 2.420 1.00 0.00 C ATOM 727 C TYR A 46 -0.236 -10.682 3.662 1.00 0.00 C ATOM 728 O TYR A 46 -0.497 -10.121 4.738 1.00 0.00 O ATOM 729 CB TYR A 46 1.653 -9.583 2.371 1.00 0.00 C ATOM 730 CG TYR A 46 2.179 -8.726 3.504 1.00 0.00 C ATOM 731 CD1 TYR A 46 2.132 -7.337 3.446 1.00 0.00 C ATOM 732 CD2 TYR A 46 2.722 -9.312 4.630 1.00 0.00 C ATOM 733 CE1 TYR A 46 2.618 -6.570 4.485 1.00 0.00 C ATOM 734 CE2 TYR A 46 3.205 -8.558 5.662 1.00 0.00 C ATOM 735 CZ TYR A 46 3.154 -7.190 5.591 1.00 0.00 C ATOM 736 OH TYR A 46 3.654 -6.441 6.627 1.00 0.00 O ATOM 0 H TYR A 46 -0.043 -7.793 2.305 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.120 -10.483 1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.188 -10.532 2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.884 -9.091 1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.710 -6.853 2.577 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.766 -10.389 4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.578 -5.492 4.431 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.626 -9.039 6.532 1.00 0.00 H new ATOM 0 HH TYR A 46 3.993 -7.037 7.328 1.00 0.00 H new ATOM 746 N GLY A 47 -0.319 -11.979 3.494 1.00 0.00 N ATOM 747 CA GLY A 47 -0.662 -12.857 4.583 1.00 0.00 C ATOM 748 C GLY A 47 -2.142 -13.144 4.631 1.00 0.00 C ATOM 749 O GLY A 47 -2.563 -14.299 4.673 1.00 0.00 O ATOM 0 H GLY A 47 -0.152 -12.452 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.114 -13.794 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.349 -12.406 5.525 1.00 0.00 H new ATOM 753 N TRP A 48 -2.924 -12.105 4.604 1.00 0.00 N ATOM 754 CA TRP A 48 -4.361 -12.223 4.693 1.00 0.00 C ATOM 755 C TRP A 48 -4.996 -12.279 3.303 1.00 0.00 C ATOM 756 O TRP A 48 -5.618 -13.277 2.926 1.00 0.00 O ATOM 757 CB TRP A 48 -4.910 -11.050 5.525 1.00 0.00 C ATOM 758 CG TRP A 48 -6.406 -10.995 5.667 1.00 0.00 C ATOM 759 CD1 TRP A 48 -7.211 -9.946 5.341 1.00 0.00 C ATOM 760 CD2 TRP A 48 -7.276 -12.027 6.164 1.00 0.00 C ATOM 761 NE1 TRP A 48 -8.517 -10.251 5.608 1.00 0.00 N ATOM 762 CE2 TRP A 48 -8.587 -11.522 6.109 1.00 0.00 C ATOM 763 CE3 TRP A 48 -7.075 -13.323 6.646 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -9.690 -12.265 6.519 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -8.171 -14.059 7.052 1.00 0.00 C ATOM 766 CH2 TRP A 48 -9.463 -13.528 6.984 1.00 0.00 C ATOM 0 H TRP A 48 -2.588 -11.146 4.519 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.619 -13.158 5.191 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.470 -11.098 6.521 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.572 -10.118 5.072 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.867 -9.008 4.931 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -9.312 -9.630 5.458 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -6.081 -13.742 6.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -10.689 -11.857 6.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -8.028 -15.061 7.428 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.299 -14.130 7.306 1.00 0.00 H new ATOM 777 N ASN A 49 -4.774 -11.256 2.533 1.00 0.00 N ATOM 778 CA ASN A 49 -5.386 -11.124 1.236 1.00 0.00 C ATOM 779 C ASN A 49 -4.370 -11.286 0.141 1.00 0.00 C ATOM 780 O ASN A 49 -3.701 -10.322 -0.246 1.00 0.00 O ATOM 781 CB ASN A 49 -6.096 -9.774 1.096 1.00 0.00 C ATOM 782 CG ASN A 49 -7.412 -9.693 1.859 1.00 0.00 C ATOM 783 OD1 ASN A 49 -8.094 -10.694 2.058 1.00 0.00 O ATOM 784 ND2 ASN A 49 -7.787 -8.509 2.270 1.00 0.00 N ATOM 0 H ASN A 49 -4.160 -10.482 2.785 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.128 -11.917 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.432 -8.986 1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.286 -9.581 0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.668 -8.399 2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.198 -7.696 2.089 1.00 0.00 H new ATOM 791 N VAL A 50 -4.230 -12.502 -0.340 1.00 0.00 N ATOM 792 CA VAL A 50 -3.274 -12.795 -1.389 1.00 0.00 C ATOM 793 C VAL A 50 -3.643 -12.129 -2.718 1.00 0.00 C ATOM 794 O VAL A 50 -2.862 -11.356 -3.251 1.00 0.00 O ATOM 795 CB VAL A 50 -2.973 -14.320 -1.554 1.00 0.00 C ATOM 796 CG1 VAL A 50 -2.218 -14.835 -0.342 1.00 0.00 C ATOM 797 CG2 VAL A 50 -4.249 -15.139 -1.749 1.00 0.00 C ATOM 0 H VAL A 50 -4.768 -13.308 -0.021 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.337 -12.347 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.362 -14.436 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.013 -15.898 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.278 -14.293 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.821 -14.684 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.992 -16.192 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.898 -15.013 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.768 -14.796 -2.644 1.00 0.00 H new ATOM 807 N ARG A 51 -4.827 -12.396 -3.240 1.00 0.00 N ATOM 808 CA ARG A 51 -5.230 -11.751 -4.474 1.00 0.00 C ATOM 809 C ARG A 51 -6.348 -10.725 -4.221 1.00 0.00 C ATOM 810 O ARG A 51 -6.883 -10.128 -5.158 1.00 0.00 O ATOM 811 CB ARG A 51 -5.658 -12.752 -5.561 1.00 0.00 C ATOM 812 CG ARG A 51 -5.744 -12.098 -6.942 1.00 0.00 C ATOM 813 CD ARG A 51 -6.469 -12.938 -7.949 1.00 0.00 C ATOM 814 NE ARG A 51 -6.610 -12.218 -9.225 1.00 0.00 N ATOM 815 CZ ARG A 51 -7.763 -12.019 -9.889 1.00 0.00 C ATOM 816 NH1 ARG A 51 -8.904 -12.583 -9.464 1.00 0.00 N ATOM 817 NH2 ARG A 51 -7.759 -11.288 -10.998 1.00 0.00 N ATOM 0 H ARG A 51 -5.511 -13.039 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.348 -11.231 -4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.946 -13.577 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.627 -13.177 -5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.248 -11.136 -6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.736 -11.896 -7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.927 -13.870 -8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.454 -13.204 -7.566 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.760 -11.837 -9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.903 -13.170 -8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.772 -12.425 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.887 -10.883 -11.339 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.628 -11.131 -11.509 1.00 0.00 H new ATOM 831 N TYR A 52 -6.726 -10.504 -2.967 1.00 0.00 N ATOM 832 CA TYR A 52 -7.718 -9.462 -2.710 1.00 0.00 C ATOM 833 C TYR A 52 -7.037 -8.102 -2.696 1.00 0.00 C ATOM 834 O TYR A 52 -6.847 -7.473 -1.640 1.00 0.00 O ATOM 835 CB TYR A 52 -8.577 -9.659 -1.439 1.00 0.00 C ATOM 836 CG TYR A 52 -9.490 -10.859 -1.419 1.00 0.00 C ATOM 837 CD1 TYR A 52 -10.738 -10.806 -2.014 1.00 0.00 C ATOM 838 CD2 TYR A 52 -9.124 -12.028 -0.765 1.00 0.00 C ATOM 839 CE1 TYR A 52 -11.596 -11.883 -1.965 1.00 0.00 C ATOM 840 CE2 TYR A 52 -9.974 -13.115 -0.717 1.00 0.00 C ATOM 841 CZ TYR A 52 -11.210 -13.034 -1.319 1.00 0.00 C ATOM 842 OH TYR A 52 -12.073 -14.107 -1.270 1.00 0.00 O ATOM 0 H TYR A 52 -6.382 -11.004 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.433 -9.529 -3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.907 -9.727 -0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -9.186 -8.766 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.045 -9.906 -2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.158 -12.088 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -12.568 -11.823 -2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.672 -14.021 -0.212 1.00 0.00 H new ATOM 0 HH TYR A 52 -11.652 -14.843 -0.779 1.00 0.00 H new ATOM 852 N ASP A 53 -6.577 -7.724 -3.859 1.00 0.00 N ATOM 853 CA ASP A 53 -5.951 -6.456 -4.108 1.00 0.00 C ATOM 854 C ASP A 53 -7.021 -5.396 -4.045 1.00 0.00 C ATOM 855 O ASP A 53 -8.166 -5.650 -4.442 1.00 0.00 O ATOM 856 CB ASP A 53 -5.327 -6.433 -5.515 1.00 0.00 C ATOM 857 CG ASP A 53 -4.194 -7.415 -5.769 1.00 0.00 C ATOM 858 OD1 ASP A 53 -4.457 -8.612 -5.997 1.00 0.00 O ATOM 859 OD2 ASP A 53 -3.027 -6.989 -5.857 1.00 0.00 O ATOM 0 H ASP A 53 -6.631 -8.314 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.169 -6.282 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.116 -6.627 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.956 -5.426 -5.708 1.00 0.00 H new ATOM 864 N GLU A 54 -6.691 -4.243 -3.553 1.00 0.00 N ATOM 865 CA GLU A 54 -7.654 -3.182 -3.448 1.00 0.00 C ATOM 866 C GLU A 54 -6.990 -1.882 -3.812 1.00 0.00 C ATOM 867 O GLU A 54 -5.756 -1.763 -3.751 1.00 0.00 O ATOM 868 CB GLU A 54 -8.263 -3.170 -2.034 1.00 0.00 C ATOM 869 CG GLU A 54 -9.491 -2.286 -1.866 1.00 0.00 C ATOM 870 CD GLU A 54 -10.287 -2.664 -0.647 1.00 0.00 C ATOM 871 OE1 GLU A 54 -10.644 -3.857 -0.520 1.00 0.00 O ATOM 872 OE2 GLU A 54 -10.580 -1.805 0.205 1.00 0.00 O ATOM 0 H GLU A 54 -5.758 -4.008 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.479 -3.336 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.530 -4.191 -1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.499 -2.842 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.181 -1.244 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.121 -2.367 -2.752 1.00 0.00 H new ATOM 879 N TRP A 55 -7.794 -0.935 -4.197 1.00 0.00 N ATOM 880 CA TRP A 55 -7.328 0.316 -4.700 1.00 0.00 C ATOM 881 C TRP A 55 -7.358 1.356 -3.621 1.00 0.00 C ATOM 882 O TRP A 55 -8.407 1.603 -2.995 1.00 0.00 O ATOM 883 CB TRP A 55 -8.196 0.752 -5.869 1.00 0.00 C ATOM 884 CG TRP A 55 -8.217 -0.237 -6.989 1.00 0.00 C ATOM 885 CD1 TRP A 55 -9.033 -1.327 -7.107 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.372 -0.241 -8.140 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.768 -1.986 -8.275 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.748 -1.341 -8.929 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.340 0.587 -8.585 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -7.126 -1.634 -10.136 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -5.723 0.296 -9.778 1.00 0.00 C ATOM 892 CH2 TRP A 55 -6.115 -0.804 -10.543 1.00 0.00 C ATOM 0 H TRP A 55 -8.810 -1.016 -4.168 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.299 0.200 -5.040 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.215 0.913 -5.516 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.834 1.709 -6.245 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.778 -1.624 -6.384 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.250 -2.821 -8.607 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.032 1.442 -8.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.428 -2.483 -10.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.922 0.929 -10.130 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.610 -1.005 -11.476 1.00 0.00 H new ATOM 903 N VAL A 56 -6.221 1.929 -3.379 1.00 0.00 N ATOM 904 CA VAL A 56 -6.061 2.957 -2.388 1.00 0.00 C ATOM 905 C VAL A 56 -5.322 4.112 -3.038 1.00 0.00 C ATOM 906 O VAL A 56 -4.587 3.902 -3.999 1.00 0.00 O ATOM 907 CB VAL A 56 -5.273 2.436 -1.141 1.00 0.00 C ATOM 908 CG1 VAL A 56 -5.951 1.201 -0.556 1.00 0.00 C ATOM 909 CG2 VAL A 56 -3.812 2.134 -1.470 1.00 0.00 C ATOM 0 H VAL A 56 -5.359 1.694 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.040 3.277 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.283 3.233 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.388 0.853 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.967 1.453 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.983 0.413 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.304 1.775 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.764 1.369 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.324 3.042 -1.825 1.00 0.00 H new ATOM 919 N LYS A 57 -5.528 5.301 -2.570 1.00 0.00 N ATOM 920 CA LYS A 57 -4.874 6.446 -3.160 1.00 0.00 C ATOM 921 C LYS A 57 -3.464 6.623 -2.720 1.00 0.00 C ATOM 922 O LYS A 57 -3.087 6.242 -1.612 1.00 0.00 O ATOM 923 CB LYS A 57 -5.671 7.698 -2.957 1.00 0.00 C ATOM 924 CG LYS A 57 -6.864 7.706 -3.829 1.00 0.00 C ATOM 925 CD LYS A 57 -7.783 8.864 -3.560 1.00 0.00 C ATOM 926 CE LYS A 57 -7.143 10.205 -3.842 1.00 0.00 C ATOM 927 NZ LYS A 57 -8.159 11.266 -3.833 1.00 0.00 N ATOM 0 H LYS A 57 -6.141 5.514 -1.783 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.827 6.240 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.977 7.775 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.051 8.568 -3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.545 7.737 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.413 6.775 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.679 8.759 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.103 8.832 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.380 10.416 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.642 10.180 -4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.706 12.182 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.872 11.070 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.619 11.299 -2.901 1.00 0.00 H new ATOM 941 N ALA A 58 -2.706 7.247 -3.593 1.00 0.00 N ATOM 942 CA ALA A 58 -1.297 7.512 -3.414 1.00 0.00 C ATOM 943 C ALA A 58 -1.031 8.310 -2.157 1.00 0.00 C ATOM 944 O ALA A 58 -0.095 8.021 -1.407 1.00 0.00 O ATOM 945 CB ALA A 58 -0.776 8.256 -4.624 1.00 0.00 C ATOM 0 H ALA A 58 -3.068 7.597 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.778 6.559 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.287 8.460 -4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.924 7.648 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.315 9.197 -4.732 1.00 0.00 H new ATOM 951 N ASP A 59 -1.882 9.282 -1.912 1.00 0.00 N ATOM 952 CA ASP A 59 -1.763 10.150 -0.741 1.00 0.00 C ATOM 953 C ASP A 59 -2.263 9.473 0.523 1.00 0.00 C ATOM 954 O ASP A 59 -2.191 10.039 1.611 1.00 0.00 O ATOM 955 CB ASP A 59 -2.477 11.499 -0.941 1.00 0.00 C ATOM 956 CG ASP A 59 -3.959 11.377 -1.220 1.00 0.00 C ATOM 957 OD1 ASP A 59 -4.757 11.247 -0.281 1.00 0.00 O ATOM 958 OD2 ASP A 59 -4.350 11.431 -2.404 1.00 0.00 O ATOM 0 H ASP A 59 -2.677 9.500 -2.512 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.698 10.349 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.335 12.109 -0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.005 12.029 -1.768 1.00 0.00 H new ATOM 963 N ARG A 60 -2.764 8.269 0.397 1.00 0.00 N ATOM 964 CA ARG A 60 -3.228 7.541 1.553 1.00 0.00 C ATOM 965 C ARG A 60 -2.252 6.433 1.911 1.00 0.00 C ATOM 966 O ARG A 60 -2.535 5.588 2.763 1.00 0.00 O ATOM 967 CB ARG A 60 -4.631 6.981 1.325 1.00 0.00 C ATOM 968 CG ARG A 60 -5.651 8.051 0.969 1.00 0.00 C ATOM 969 CD ARG A 60 -7.074 7.538 1.057 1.00 0.00 C ATOM 970 NE ARG A 60 -7.459 7.261 2.461 1.00 0.00 N ATOM 971 CZ ARG A 60 -8.626 7.614 3.043 1.00 0.00 C ATOM 972 NH1 ARG A 60 -9.605 8.149 2.328 1.00 0.00 N ATOM 973 NH2 ARG A 60 -8.801 7.419 4.353 1.00 0.00 N ATOM 0 H ARG A 60 -2.861 7.774 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.282 8.235 2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.595 6.242 0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.959 6.461 2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.531 8.902 1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.459 8.412 -0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.755 8.273 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.173 6.629 0.464 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.784 6.760 3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.482 8.298 1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.481 8.411 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.055 7.005 4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.681 7.685 4.795 1.00 0.00 H new ATOM 987 N ILE A 61 -1.101 6.454 1.280 1.00 0.00 N ATOM 988 CA ILE A 61 -0.095 5.467 1.503 1.00 0.00 C ATOM 989 C ILE A 61 1.081 6.070 2.267 1.00 0.00 C ATOM 990 O ILE A 61 1.492 7.218 2.014 1.00 0.00 O ATOM 991 CB ILE A 61 0.377 4.852 0.155 1.00 0.00 C ATOM 992 CG1 ILE A 61 -0.802 4.166 -0.534 1.00 0.00 C ATOM 993 CG2 ILE A 61 1.512 3.866 0.360 1.00 0.00 C ATOM 994 CD1 ILE A 61 -0.453 3.494 -1.834 1.00 0.00 C ATOM 0 H ILE A 61 -0.844 7.165 0.595 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.522 4.667 2.108 1.00 0.00 H new ATOM 0 HB ILE A 61 0.752 5.658 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.222 3.423 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.581 4.906 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.816 3.456 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.358 4.376 0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.178 3.057 1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.346 3.032 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.062 4.234 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.302 2.728 -1.656 1.00 0.00 H new ATOM 1006 N ILE A 62 1.591 5.307 3.196 1.00 0.00 N ATOM 1007 CA ILE A 62 2.716 5.680 4.000 1.00 0.00 C ATOM 1008 C ILE A 62 3.883 4.839 3.533 1.00 0.00 C ATOM 1009 O ILE A 62 3.910 3.611 3.752 1.00 0.00 O ATOM 1010 CB ILE A 62 2.520 5.384 5.537 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.282 6.060 6.163 1.00 0.00 C ATOM 1012 CG2 ILE A 62 3.762 5.776 6.332 1.00 0.00 C ATOM 1013 CD1 ILE A 62 -0.056 5.469 5.783 1.00 0.00 C ATOM 0 H ILE A 62 1.222 4.382 3.418 1.00 0.00 H new ATOM 0 HA ILE A 62 2.864 6.754 3.889 1.00 0.00 H new ATOM 0 HB ILE A 62 2.354 4.308 5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.380 6.020 7.248 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.286 7.113 5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.600 5.562 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.619 5.206 5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.955 6.841 6.203 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.853 6.022 6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.189 5.534 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.093 4.424 6.091 1.00 0.00 H new ATOM 1025 N TRP A 63 4.800 5.461 2.856 1.00 0.00 N ATOM 1026 CA TRP A 63 5.979 4.788 2.385 1.00 0.00 C ATOM 1027 C TRP A 63 7.013 4.779 3.492 1.00 0.00 C ATOM 1028 O TRP A 63 7.249 5.817 4.107 1.00 0.00 O ATOM 1029 CB TRP A 63 6.535 5.478 1.139 1.00 0.00 C ATOM 1030 CG TRP A 63 5.612 5.411 -0.041 1.00 0.00 C ATOM 1031 CD1 TRP A 63 4.620 6.289 -0.361 1.00 0.00 C ATOM 1032 CD2 TRP A 63 5.601 4.407 -1.061 1.00 0.00 C ATOM 1033 NE1 TRP A 63 3.998 5.886 -1.511 1.00 0.00 N ATOM 1034 CE2 TRP A 63 4.580 4.739 -1.960 1.00 0.00 C ATOM 1035 CE3 TRP A 63 6.361 3.261 -1.300 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 4.293 3.968 -3.078 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 6.076 2.493 -2.411 1.00 0.00 C ATOM 1038 CH2 TRP A 63 5.051 2.852 -3.290 1.00 0.00 C ATOM 0 H TRP A 63 4.755 6.451 2.613 1.00 0.00 H new ATOM 0 HA TRP A 63 5.726 3.764 2.112 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.739 6.523 1.372 1.00 0.00 H new ATOM 0 HB3 TRP A 63 7.487 5.019 0.873 1.00 0.00 H new ATOM 0 HD1 TRP A 63 4.363 7.171 0.208 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.220 6.369 -1.962 1.00 0.00 H new ATOM 0 HE3 TRP A 63 7.158 2.980 -0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 3.498 4.241 -3.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 6.654 1.601 -2.604 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.854 2.235 -4.154 1.00 0.00 H new ATOM 1049 N PRO A 64 7.605 3.607 3.797 1.00 0.00 N ATOM 1050 CA PRO A 64 8.611 3.474 4.858 1.00 0.00 C ATOM 1051 C PRO A 64 9.779 4.413 4.671 1.00 0.00 C ATOM 1052 O PRO A 64 10.488 4.381 3.641 1.00 0.00 O ATOM 1053 CB PRO A 64 9.061 2.016 4.764 1.00 0.00 C ATOM 1054 CG PRO A 64 7.939 1.312 4.088 1.00 0.00 C ATOM 1055 CD PRO A 64 7.330 2.309 3.146 1.00 0.00 C ATOM 0 HA PRO A 64 8.200 3.733 5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.986 1.924 4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.252 1.597 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.297 0.435 3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.205 0.962 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.781 2.253 2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.260 2.141 3.020 1.00 0.00 H new ATOM 1063 N LEU A 65 9.968 5.255 5.644 1.00 0.00 N ATOM 1064 CA LEU A 65 10.996 6.225 5.598 1.00 0.00 C ATOM 1065 C LEU A 65 11.533 6.429 7.009 1.00 0.00 C ATOM 1066 O LEU A 65 10.943 7.156 7.811 1.00 0.00 O ATOM 1067 CB LEU A 65 10.423 7.523 4.983 1.00 0.00 C ATOM 1068 CG LEU A 65 11.399 8.588 4.458 1.00 0.00 C ATOM 1069 CD1 LEU A 65 10.618 9.634 3.699 1.00 0.00 C ATOM 1070 CD2 LEU A 65 12.170 9.248 5.585 1.00 0.00 C ATOM 0 H LEU A 65 9.404 5.280 6.493 1.00 0.00 H new ATOM 0 HA LEU A 65 11.828 5.904 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.771 7.237 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.794 7.995 5.737 1.00 0.00 H new ATOM 0 HG LEU A 65 12.122 8.100 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.301 10.395 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.099 9.165 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.889 10.098 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.849 9.994 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.472 9.731 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.744 8.494 6.124 1.00 0.00 H new ATOM 1082 N ASP A 66 12.565 5.659 7.330 1.00 0.00 N ATOM 1083 CA ASP A 66 13.336 5.741 8.598 1.00 0.00 C ATOM 1084 C ASP A 66 12.525 5.310 9.833 1.00 0.00 C ATOM 1085 O ASP A 66 13.008 5.339 10.963 1.00 0.00 O ATOM 1086 CB ASP A 66 13.977 7.138 8.784 1.00 0.00 C ATOM 1087 CG ASP A 66 14.950 7.204 9.947 1.00 0.00 C ATOM 1088 OD1 ASP A 66 15.992 6.525 9.902 1.00 0.00 O ATOM 1089 OD2 ASP A 66 14.704 7.962 10.917 1.00 0.00 O ATOM 0 H ASP A 66 12.912 4.931 6.705 1.00 0.00 H new ATOM 0 HA ASP A 66 14.144 5.015 8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.498 7.416 7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.188 7.874 8.938 1.00 0.00 H new ATOM 1094 N LYS A 67 11.319 4.860 9.619 1.00 0.00 N ATOM 1095 CA LYS A 67 10.478 4.436 10.712 1.00 0.00 C ATOM 1096 C LYS A 67 9.619 3.269 10.236 1.00 0.00 C ATOM 1097 O LYS A 67 8.471 3.091 10.660 1.00 0.00 O ATOM 1098 CB LYS A 67 9.587 5.613 11.167 1.00 0.00 C ATOM 1099 CG LYS A 67 9.043 5.512 12.609 1.00 0.00 C ATOM 1100 CD LYS A 67 10.012 6.105 13.664 1.00 0.00 C ATOM 1101 CE LYS A 67 11.388 5.442 13.684 1.00 0.00 C ATOM 1102 NZ LYS A 67 12.297 6.083 14.652 1.00 0.00 N ATOM 0 H LYS A 67 10.893 4.776 8.696 1.00 0.00 H new ATOM 0 HA LYS A 67 11.087 4.118 11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.159 6.536 11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.742 5.693 10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.087 6.033 12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.851 4.466 12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.136 7.170 13.470 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.560 6.011 14.651 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.278 4.387 13.934 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.828 5.489 12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.219 5.602 14.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.423 7.084 14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.891 6.015 15.607 1.00 0.00 H new ATOM 1116 N GLY A 68 10.185 2.467 9.358 1.00 0.00 N ATOM 1117 CA GLY A 68 9.461 1.337 8.824 1.00 0.00 C ATOM 1118 C GLY A 68 10.181 0.032 9.058 1.00 0.00 C ATOM 1119 O GLY A 68 9.738 -1.015 8.574 1.00 0.00 O ATOM 0 H GLY A 68 11.135 2.576 9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.473 1.292 9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.309 1.479 7.754 1.00 0.00 H new ATOM 1123 N LEU A 69 11.266 0.101 9.840 1.00 0.00 N ATOM 1124 CA LEU A 69 12.143 -1.022 10.168 1.00 0.00 C ATOM 1125 C LEU A 69 12.909 -1.576 8.969 1.00 0.00 C ATOM 1126 O LEU A 69 12.350 -1.823 7.884 1.00 0.00 O ATOM 1127 CB LEU A 69 11.422 -2.128 10.953 1.00 0.00 C ATOM 1128 CG LEU A 69 11.169 -1.896 12.465 1.00 0.00 C ATOM 1129 CD1 LEU A 69 12.472 -1.656 13.218 1.00 0.00 C ATOM 1130 CD2 LEU A 69 10.185 -0.761 12.715 1.00 0.00 C ATOM 0 H LEU A 69 11.565 0.974 10.276 1.00 0.00 H new ATOM 0 HA LEU A 69 12.899 -0.603 10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.458 -2.303 10.475 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.001 -3.045 10.848 1.00 0.00 H new ATOM 0 HG LEU A 69 10.717 -2.810 12.850 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.258 -1.497 14.275 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.122 -2.524 13.106 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.970 -0.775 12.812 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.039 -0.636 13.788 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.580 0.163 12.292 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.231 -0.997 12.244 1.00 0.00 H new ATOM 1142 N GLU A 70 14.190 -1.752 9.164 1.00 0.00 N ATOM 1143 CA GLU A 70 15.054 -2.280 8.145 1.00 0.00 C ATOM 1144 C GLU A 70 14.888 -3.808 8.162 1.00 0.00 C ATOM 1145 O GLU A 70 14.459 -4.381 9.177 1.00 0.00 O ATOM 1146 CB GLU A 70 16.506 -1.854 8.451 1.00 0.00 C ATOM 1147 CG GLU A 70 17.391 -1.578 7.228 1.00 0.00 C ATOM 1148 CD GLU A 70 17.703 -2.785 6.389 1.00 0.00 C ATOM 1149 OE1 GLU A 70 16.886 -3.150 5.512 1.00 0.00 O ATOM 1150 OE2 GLU A 70 18.775 -3.392 6.579 1.00 0.00 O ATOM 0 H GLU A 70 14.664 -1.531 10.040 1.00 0.00 H new ATOM 0 HA GLU A 70 14.805 -1.902 7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.479 -0.955 9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.976 -2.636 9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.898 -0.835 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.328 -1.137 7.568 1.00 0.00 H new ATOM 1157 N HIS A 71 15.231 -4.448 7.087 1.00 0.00 N ATOM 1158 CA HIS A 71 15.030 -5.867 6.937 1.00 0.00 C ATOM 1159 C HIS A 71 16.150 -6.646 7.589 1.00 0.00 C ATOM 1160 O HIS A 71 17.215 -6.840 7.002 1.00 0.00 O ATOM 1161 CB HIS A 71 14.903 -6.261 5.459 1.00 0.00 C ATOM 1162 CG HIS A 71 13.760 -5.610 4.752 1.00 0.00 C ATOM 1163 ND1 HIS A 71 13.898 -4.468 3.999 1.00 0.00 N ATOM 1164 CD2 HIS A 71 12.450 -5.941 4.685 1.00 0.00 C ATOM 1165 CE1 HIS A 71 12.734 -4.124 3.507 1.00 0.00 C ATOM 1166 NE2 HIS A 71 11.834 -4.999 3.903 1.00 0.00 N ATOM 0 H HIS A 71 15.663 -4.001 6.278 1.00 0.00 H new ATOM 0 HA HIS A 71 14.095 -6.117 7.438 1.00 0.00 H new ATOM 0 HB2 HIS A 71 15.829 -6.004 4.944 1.00 0.00 H new ATOM 0 HB3 HIS A 71 14.790 -7.343 5.391 1.00 0.00 H new ATOM 0 HD2 HIS A 71 11.978 -6.789 5.159 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.544 -3.265 2.880 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.842 -4.979 3.667 1.00 0.00 H new ATOM 1175 N HIS A 72 15.915 -7.057 8.815 1.00 0.00 N ATOM 1176 CA HIS A 72 16.857 -7.883 9.554 1.00 0.00 C ATOM 1177 C HIS A 72 16.739 -9.299 9.014 1.00 0.00 C ATOM 1178 O HIS A 72 17.678 -10.084 9.054 1.00 0.00 O ATOM 1179 CB HIS A 72 16.511 -7.860 11.059 1.00 0.00 C ATOM 1180 CG HIS A 72 17.533 -8.508 11.958 1.00 0.00 C ATOM 1181 ND1 HIS A 72 18.335 -7.794 12.813 1.00 0.00 N ATOM 1182 CD2 HIS A 72 17.861 -9.805 12.148 1.00 0.00 C ATOM 1183 CE1 HIS A 72 19.106 -8.616 13.479 1.00 0.00 C ATOM 1184 NE2 HIS A 72 18.839 -9.838 13.095 1.00 0.00 N ATOM 0 H HIS A 72 15.066 -6.830 9.333 1.00 0.00 H new ATOM 0 HA HIS A 72 17.874 -7.509 9.435 1.00 0.00 H new ATOM 0 HB2 HIS A 72 16.380 -6.824 11.371 1.00 0.00 H new ATOM 0 HB3 HIS A 72 15.553 -8.360 11.204 1.00 0.00 H new ATOM 0 HD2 HIS A 72 17.428 -10.656 11.643 1.00 0.00 H new ATOM 0 HE1 HIS A 72 19.839 -8.333 14.220 1.00 0.00 H new ATOM 0 HE2 HIS A 72 19.291 -10.681 13.449 1.00 0.00 H new ATOM 1193 N HIS A 73 15.559 -9.589 8.528 1.00 0.00 N ATOM 1194 CA HIS A 73 15.222 -10.855 7.931 1.00 0.00 C ATOM 1195 C HIS A 73 16.013 -11.059 6.638 1.00 0.00 C ATOM 1196 O HIS A 73 16.077 -10.150 5.809 1.00 0.00 O ATOM 1197 CB HIS A 73 13.702 -10.874 7.656 1.00 0.00 C ATOM 1198 CG HIS A 73 13.187 -12.084 6.938 1.00 0.00 C ATOM 1199 ND1 HIS A 73 12.853 -13.251 7.571 1.00 0.00 N ATOM 1200 CD2 HIS A 73 12.934 -12.288 5.627 1.00 0.00 C ATOM 1201 CE1 HIS A 73 12.418 -14.117 6.688 1.00 0.00 C ATOM 1202 NE2 HIS A 73 12.460 -13.559 5.504 1.00 0.00 N ATOM 0 H HIS A 73 14.782 -8.929 8.538 1.00 0.00 H new ATOM 0 HA HIS A 73 15.480 -11.670 8.607 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.178 -10.789 8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.446 -9.991 7.071 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.080 -11.577 4.827 1.00 0.00 H new ATOM 0 HE1 HIS A 73 12.082 -15.121 6.901 1.00 0.00 H new ATOM 0 HE2 HIS A 73 12.182 -14.005 4.630 1.00 0.00 H new ATOM 1211 N HIS A 74 16.610 -12.249 6.503 1.00 0.00 N ATOM 1212 CA HIS A 74 17.366 -12.673 5.310 1.00 0.00 C ATOM 1213 C HIS A 74 16.560 -12.371 4.057 1.00 0.00 C ATOM 1214 O HIS A 74 15.441 -12.859 3.901 1.00 0.00 O ATOM 1215 CB HIS A 74 17.648 -14.186 5.404 1.00 0.00 C ATOM 1216 CG HIS A 74 18.426 -14.796 4.261 1.00 0.00 C ATOM 1217 ND1 HIS A 74 19.719 -15.225 4.385 1.00 0.00 N ATOM 1218 CD2 HIS A 74 18.058 -15.099 2.995 1.00 0.00 C ATOM 1219 CE1 HIS A 74 20.114 -15.762 3.255 1.00 0.00 C ATOM 1220 NE2 HIS A 74 19.123 -15.697 2.398 1.00 0.00 N ATOM 0 H HIS A 74 16.583 -12.961 7.233 1.00 0.00 H new ATOM 0 HA HIS A 74 18.310 -12.130 5.260 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.194 -14.375 6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.694 -14.707 5.485 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.097 -14.902 2.543 1.00 0.00 H new ATOM 0 HE1 HIS A 74 21.089 -16.185 3.063 1.00 0.00 H new ATOM 0 HE2 HIS A 74 19.148 -16.040 1.438 1.00 0.00 H new ATOM 1229 N HIS A 75 17.128 -11.606 3.175 1.00 0.00 N ATOM 1230 CA HIS A 75 16.422 -11.158 2.002 1.00 0.00 C ATOM 1231 C HIS A 75 17.389 -10.981 0.866 1.00 0.00 C ATOM 1232 O HIS A 75 18.571 -11.235 1.023 1.00 0.00 O ATOM 1233 CB HIS A 75 15.696 -9.817 2.291 1.00 0.00 C ATOM 1234 CG HIS A 75 16.602 -8.635 2.590 1.00 0.00 C ATOM 1235 ND1 HIS A 75 16.800 -7.592 1.708 1.00 0.00 N ATOM 1236 CD2 HIS A 75 17.331 -8.329 3.689 1.00 0.00 C ATOM 1237 CE1 HIS A 75 17.605 -6.708 2.255 1.00 0.00 C ATOM 1238 NE2 HIS A 75 17.940 -7.133 3.454 1.00 0.00 N ATOM 0 H HIS A 75 18.090 -11.273 3.243 1.00 0.00 H new ATOM 0 HA HIS A 75 15.678 -11.907 1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 75 15.074 -9.568 1.431 1.00 0.00 H new ATOM 0 HB3 HIS A 75 15.025 -9.962 3.138 1.00 0.00 H new ATOM 0 HD2 HIS A 75 17.414 -8.923 4.587 1.00 0.00 H new ATOM 0 HE1 HIS A 75 17.936 -5.788 1.797 1.00 0.00 H new ATOM 0 HE2 HIS A 75 18.557 -6.645 4.104 1.00 0.00 H new ATOM 1247 N HIS A 76 16.889 -10.563 -0.255 1.00 0.00 N ATOM 1248 CA HIS A 76 17.720 -10.247 -1.376 1.00 0.00 C ATOM 1249 C HIS A 76 18.119 -8.790 -1.239 1.00 0.00 C ATOM 1250 O HIS A 76 19.260 -8.500 -0.857 1.00 0.00 O ATOM 1251 CB HIS A 76 16.963 -10.481 -2.690 1.00 0.00 C ATOM 1252 CG HIS A 76 17.782 -10.268 -3.923 1.00 0.00 C ATOM 1253 ND1 HIS A 76 17.646 -9.171 -4.740 1.00 0.00 N ATOM 1254 CD2 HIS A 76 18.731 -11.037 -4.486 1.00 0.00 C ATOM 1255 CE1 HIS A 76 18.477 -9.276 -5.752 1.00 0.00 C ATOM 1256 NE2 HIS A 76 19.147 -10.397 -5.621 1.00 0.00 N ATOM 1257 OXT HIS A 76 17.247 -7.916 -1.437 1.00 0.00 O ATOM 0 H HIS A 76 15.891 -10.431 -0.419 1.00 0.00 H new ATOM 0 HA HIS A 76 18.603 -10.886 -1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 76 16.578 -11.501 -2.696 1.00 0.00 H new ATOM 0 HB3 HIS A 76 16.101 -9.815 -2.722 1.00 0.00 H new ATOM 0 HD2 HIS A 76 19.096 -11.982 -4.112 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.590 -8.562 -6.554 1.00 0.00 H new ATOM 0 HE2 HIS A 76 19.863 -10.737 -6.263 1.00 0.00 H new TER 1266 HIS A 76