USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 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 26 HIS : no HD1:sc= -0.522 K(o=1.6,f=-6.4!) USER MOD Set 1.2: A 55 THR OG1 : rot -41:sc= 2.12 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.000343) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 150:sc= -0.155 USER MOD Single : A 8 THR OG1 : rot 140:sc= -1.71 USER MOD Single : A 13 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= -0.143 (180deg=-0.737) USER MOD Single : A 15 HIS : no HD1:sc= -3.43 X(o=-3.4,f=-3.6!) USER MOD Single : A 16 LYS NZ :NH3+ -105:sc= 0 (180deg=-0.0812) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 27:sc= 1.23 USER MOD Single : A 21 THR OG1 : rot 27:sc= 0.289 USER MOD Single : A 27 HIS : no HD1:sc= -3.4 K(o=-3.4,f=-8.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 8:sc= -1.29! USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= -2.44! C(o=-2.4!,f=-7!) USER MOD Single : A 49 GLN : amide:sc= -1.55 K(o=-1.6,f=-4.2!) USER MOD Single : A 57 ASN : amide:sc= 0.485 K(o=0.49,f=-3.7!) USER MOD Single : A 63 HIS : no HD1:sc= -0.016 K(o=-0.016,f=-2.1!) USER MOD Single : A 64 SER OG : rot -95:sc= 1.24 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 71 SER OG : rot 180:sc= 0.102 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-9.6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 158:sc= 0.279 (180deg=-0.631) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.626 4.278 17.440 1.00 0.00 N ATOM 2 CA ASP A 1 -6.482 4.981 18.090 1.00 0.00 C ATOM 3 C ASP A 1 -5.157 4.475 17.516 1.00 0.00 C ATOM 4 O ASP A 1 -4.369 5.238 16.988 1.00 0.00 O ATOM 5 CB ASP A 1 -6.594 4.630 19.574 1.00 0.00 C ATOM 6 CG ASP A 1 -7.412 5.703 20.293 1.00 0.00 C ATOM 7 OD1 ASP A 1 -6.846 6.737 20.612 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.590 5.475 20.512 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.520 4.629 17.837 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.608 4.458 16.416 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.549 3.255 17.613 1.00 0.00 H new ATOM 0 HA ASP A 1 -6.509 6.058 17.923 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -7.068 3.656 19.693 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -5.601 4.557 20.017 1.00 0.00 H new ATOM 13 N LYS A 2 -4.924 3.189 17.583 1.00 0.00 N ATOM 14 CA LYS A 2 -3.671 2.617 17.005 1.00 0.00 C ATOM 15 C LYS A 2 -3.987 1.351 16.205 1.00 0.00 C ATOM 16 O LYS A 2 -3.831 0.246 16.691 1.00 0.00 O ATOM 17 CB LYS A 2 -2.794 2.284 18.213 1.00 0.00 C ATOM 18 CG LYS A 2 -1.323 2.503 17.852 1.00 0.00 C ATOM 19 CD LYS A 2 -0.446 2.169 19.060 1.00 0.00 C ATOM 20 CE LYS A 2 -0.522 3.311 20.078 1.00 0.00 C ATOM 21 NZ LYS A 2 0.531 4.275 19.652 1.00 0.00 N ATOM 0 H LYS A 2 -5.550 2.509 18.014 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.178 3.309 16.322 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.069 2.913 19.060 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.954 1.250 18.518 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.048 1.875 17.005 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.162 3.537 17.547 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.778 1.237 19.517 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.586 2.018 18.743 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.508 3.776 20.077 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.341 2.950 21.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.314 5.217 20.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.455 3.960 20.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.560 4.321 18.613 1.00 0.00 H new ATOM 35 N ASP A 3 -4.393 1.505 14.970 1.00 0.00 N ATOM 36 CA ASP A 3 -4.679 0.315 14.115 1.00 0.00 C ATOM 37 C ASP A 3 -4.835 0.740 12.653 1.00 0.00 C ATOM 38 O ASP A 3 -4.418 1.814 12.263 1.00 0.00 O ATOM 39 CB ASP A 3 -5.994 -0.252 14.652 1.00 0.00 C ATOM 40 CG ASP A 3 -5.968 -1.779 14.560 1.00 0.00 C ATOM 41 OD1 ASP A 3 -5.358 -2.393 15.420 1.00 0.00 O ATOM 42 OD2 ASP A 3 -6.557 -2.307 13.632 1.00 0.00 O ATOM 0 H ASP A 3 -4.539 2.407 14.516 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.875 -0.420 14.148 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.140 0.058 15.687 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.833 0.143 14.079 1.00 0.00 H new ATOM 47 N VAL A 4 -5.467 -0.081 11.853 1.00 0.00 N ATOM 48 CA VAL A 4 -5.694 0.284 10.423 1.00 0.00 C ATOM 49 C VAL A 4 -6.926 1.193 10.301 1.00 0.00 C ATOM 50 O VAL A 4 -7.941 0.966 10.932 1.00 0.00 O ATOM 51 CB VAL A 4 -5.918 -1.056 9.704 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.341 -0.817 8.248 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.615 -1.859 9.721 1.00 0.00 C ATOM 0 H VAL A 4 -5.836 -0.991 12.130 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.858 0.835 9.992 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.707 -1.606 10.218 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.496 -1.775 7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.268 -0.244 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.560 -0.262 7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.768 -2.811 9.212 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.834 -1.296 9.210 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.314 -2.043 10.752 1.00 0.00 H new ATOM 63 N LYS A 5 -6.862 2.164 9.427 1.00 0.00 N ATOM 64 CA LYS A 5 -8.048 3.033 9.174 1.00 0.00 C ATOM 65 C LYS A 5 -8.525 2.847 7.732 1.00 0.00 C ATOM 66 O LYS A 5 -7.735 2.613 6.837 1.00 0.00 O ATOM 67 CB LYS A 5 -7.549 4.462 9.395 1.00 0.00 C ATOM 68 CG LYS A 5 -8.737 5.426 9.385 1.00 0.00 C ATOM 69 CD LYS A 5 -8.256 6.826 8.999 1.00 0.00 C ATOM 70 CE LYS A 5 -9.103 7.876 9.722 1.00 0.00 C ATOM 71 NZ LYS A 5 -8.249 9.095 9.764 1.00 0.00 N ATOM 0 H LYS A 5 -6.035 2.393 8.876 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.888 2.794 9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.020 4.531 10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.839 4.735 8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.492 5.082 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.208 5.450 10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.205 6.946 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.331 6.963 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.036 8.065 9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.369 7.546 10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.761 9.861 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.371 8.886 10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.017 9.390 8.794 1.00 0.00 H new ATOM 85 N TYR A 6 -9.808 2.964 7.499 1.00 0.00 N ATOM 86 CA TYR A 6 -10.336 2.811 6.109 1.00 0.00 C ATOM 87 C TYR A 6 -10.124 4.102 5.316 1.00 0.00 C ATOM 88 O TYR A 6 -11.005 4.936 5.221 1.00 0.00 O ATOM 89 CB TYR A 6 -11.827 2.520 6.280 1.00 0.00 C ATOM 90 CG TYR A 6 -12.018 1.048 6.554 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.457 0.472 7.701 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.754 0.257 5.663 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.630 -0.894 7.956 1.00 0.00 C ATOM 94 CE2 TYR A 6 -12.927 -1.109 5.919 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.365 -1.683 7.064 1.00 0.00 C ATOM 96 OH TYR A 6 -12.537 -3.030 7.316 1.00 0.00 O ATOM 0 H TYR A 6 -10.512 3.159 8.211 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.829 2.018 5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.233 3.111 7.101 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.371 2.808 5.381 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.891 1.082 8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.188 0.700 4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.197 -1.338 8.840 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.495 -1.719 5.232 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.072 -3.431 6.600 1.00 0.00 H new ATOM 106 N TYR A 7 -8.974 4.246 4.707 1.00 0.00 N ATOM 107 CA TYR A 7 -8.710 5.455 3.866 1.00 0.00 C ATOM 108 C TYR A 7 -9.705 5.514 2.704 1.00 0.00 C ATOM 109 O TYR A 7 -10.650 4.748 2.648 1.00 0.00 O ATOM 110 CB TYR A 7 -7.283 5.277 3.342 1.00 0.00 C ATOM 111 CG TYR A 7 -6.297 5.652 4.423 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.154 6.991 4.804 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.525 4.662 5.042 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.240 7.341 5.805 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.611 5.012 6.043 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.469 6.351 6.424 1.00 0.00 C ATOM 117 OH TYR A 7 -3.567 6.696 7.410 1.00 0.00 O ATOM 0 H TYR A 7 -8.205 3.578 4.756 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.821 6.381 4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.124 4.244 3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.128 5.900 2.461 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.749 7.755 4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.634 3.629 4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.130 8.374 6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.015 4.248 6.521 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.474 5.953 8.043 1.00 0.00 H new ATOM 127 N THR A 8 -9.476 6.389 1.759 1.00 0.00 N ATOM 128 CA THR A 8 -10.379 6.471 0.572 1.00 0.00 C ATOM 129 C THR A 8 -9.558 6.474 -0.720 1.00 0.00 C ATOM 130 O THR A 8 -8.465 7.004 -0.770 1.00 0.00 O ATOM 131 CB THR A 8 -11.129 7.793 0.735 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.193 8.852 0.874 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.018 7.728 1.979 1.00 0.00 C ATOM 0 H THR A 8 -8.701 7.052 1.758 1.00 0.00 H new ATOM 0 HA THR A 8 -11.059 5.622 0.512 1.00 0.00 H new ATOM 0 HB THR A 8 -11.750 7.969 -0.143 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.506 9.633 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.552 8.671 2.094 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.736 6.915 1.871 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.400 7.551 2.859 1.00 0.00 H new ATOM 141 N LEU A 9 -10.097 5.915 -1.773 1.00 0.00 N ATOM 142 CA LEU A 9 -9.374 5.912 -3.083 1.00 0.00 C ATOM 143 C LEU A 9 -9.127 7.348 -3.557 1.00 0.00 C ATOM 144 O LEU A 9 -8.167 7.623 -4.251 1.00 0.00 O ATOM 145 CB LEU A 9 -10.303 5.181 -4.054 1.00 0.00 C ATOM 146 CG LEU A 9 -9.471 4.375 -5.053 1.00 0.00 C ATOM 147 CD1 LEU A 9 -8.795 3.209 -4.331 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.385 3.831 -6.153 1.00 0.00 C ATOM 0 H LEU A 9 -11.009 5.459 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.400 5.428 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.971 4.518 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.930 5.899 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.710 5.018 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.202 2.635 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.145 3.595 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.555 2.565 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.794 3.256 -6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.145 3.188 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.868 4.661 -6.668 1.00 0.00 H new ATOM 160 N GLU A 10 -9.972 8.267 -3.162 1.00 0.00 N ATOM 161 CA GLU A 10 -9.772 9.695 -3.558 1.00 0.00 C ATOM 162 C GLU A 10 -8.627 10.315 -2.754 1.00 0.00 C ATOM 163 O GLU A 10 -7.906 11.166 -3.242 1.00 0.00 O ATOM 164 CB GLU A 10 -11.095 10.392 -3.229 1.00 0.00 C ATOM 165 CG GLU A 10 -12.218 9.775 -4.065 1.00 0.00 C ATOM 166 CD GLU A 10 -12.207 10.388 -5.467 1.00 0.00 C ATOM 167 OE1 GLU A 10 -11.196 10.266 -6.137 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.212 10.968 -5.845 1.00 0.00 O ATOM 0 H GLU A 10 -10.792 8.090 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.510 9.794 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.319 10.289 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.017 11.459 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.087 8.695 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.181 9.952 -3.587 1.00 0.00 H new ATOM 175 N GLU A 11 -8.432 9.867 -1.539 1.00 0.00 N ATOM 176 CA GLU A 11 -7.305 10.395 -0.712 1.00 0.00 C ATOM 177 C GLU A 11 -5.986 9.728 -1.117 1.00 0.00 C ATOM 178 O GLU A 11 -4.923 10.302 -0.972 1.00 0.00 O ATOM 179 CB GLU A 11 -7.669 10.037 0.731 1.00 0.00 C ATOM 180 CG GLU A 11 -6.611 10.601 1.681 1.00 0.00 C ATOM 181 CD GLU A 11 -7.146 10.575 3.114 1.00 0.00 C ATOM 182 OE1 GLU A 11 -8.251 11.049 3.321 1.00 0.00 O ATOM 183 OE2 GLU A 11 -6.443 10.082 3.980 1.00 0.00 O ATOM 0 H GLU A 11 -9.006 9.157 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.167 11.468 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.650 10.442 0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.733 8.955 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.695 10.014 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.357 11.622 1.395 1.00 0.00 H new ATOM 190 N ILE A 12 -6.052 8.533 -1.651 1.00 0.00 N ATOM 191 CA ILE A 12 -4.807 7.842 -2.104 1.00 0.00 C ATOM 192 C ILE A 12 -4.369 8.391 -3.467 1.00 0.00 C ATOM 193 O ILE A 12 -3.192 8.488 -3.756 1.00 0.00 O ATOM 194 CB ILE A 12 -5.187 6.360 -2.216 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.663 5.843 -0.854 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.966 5.548 -2.660 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.461 4.553 -1.049 1.00 0.00 C ATOM 0 H ILE A 12 -6.914 8.007 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.976 7.994 -1.415 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.987 6.252 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.808 5.659 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.281 6.595 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.238 4.495 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.623 5.908 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.167 5.662 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.800 4.185 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.324 4.752 -1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.828 3.802 -1.522 1.00 0.00 H new ATOM 209 N GLN A 13 -5.312 8.780 -4.289 1.00 0.00 N ATOM 210 CA GLN A 13 -4.962 9.360 -5.620 1.00 0.00 C ATOM 211 C GLN A 13 -4.810 10.881 -5.517 1.00 0.00 C ATOM 212 O GLN A 13 -5.328 11.619 -6.333 1.00 0.00 O ATOM 213 CB GLN A 13 -6.138 9.000 -6.529 1.00 0.00 C ATOM 214 CG GLN A 13 -6.192 7.483 -6.717 1.00 0.00 C ATOM 215 CD GLN A 13 -6.703 7.159 -8.122 1.00 0.00 C ATOM 216 OE1 GLN A 13 -6.474 7.909 -9.051 1.00 0.00 O ATOM 217 NE2 GLN A 13 -7.388 6.067 -8.319 1.00 0.00 N ATOM 0 H GLN A 13 -6.311 8.720 -4.094 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.016 8.974 -6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.071 9.356 -6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.029 9.493 -7.495 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.201 7.053 -6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.847 7.037 -5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.580 5.438 -7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.732 5.842 -9.253 1.00 0.00 H new ATOM 226 N LYS A 14 -4.065 11.349 -4.547 1.00 0.00 N ATOM 227 CA LYS A 14 -3.830 12.819 -4.419 1.00 0.00 C ATOM 228 C LYS A 14 -2.555 13.087 -3.612 1.00 0.00 C ATOM 229 O LYS A 14 -2.578 13.770 -2.606 1.00 0.00 O ATOM 230 CB LYS A 14 -5.063 13.366 -3.686 1.00 0.00 C ATOM 231 CG LYS A 14 -5.225 12.666 -2.332 1.00 0.00 C ATOM 232 CD LYS A 14 -5.743 13.668 -1.296 1.00 0.00 C ATOM 233 CE LYS A 14 -7.245 13.879 -1.497 1.00 0.00 C ATOM 234 NZ LYS A 14 -7.353 15.108 -2.332 1.00 0.00 N ATOM 0 H LYS A 14 -3.609 10.775 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.694 13.297 -5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.961 14.441 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.955 13.211 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.919 11.830 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.270 12.253 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.548 13.299 -0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.215 14.616 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.701 13.023 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.757 14.004 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.277 15.557 -2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.596 15.772 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.262 14.854 -3.336 1.00 0.00 H new ATOM 248 N HIS A 15 -1.437 12.586 -4.075 1.00 0.00 N ATOM 249 CA HIS A 15 -0.146 12.843 -3.370 1.00 0.00 C ATOM 250 C HIS A 15 0.780 13.686 -4.253 1.00 0.00 C ATOM 251 O HIS A 15 1.635 13.163 -4.942 1.00 0.00 O ATOM 252 CB HIS A 15 0.456 11.458 -3.128 1.00 0.00 C ATOM 253 CG HIS A 15 -0.110 10.880 -1.860 1.00 0.00 C ATOM 254 ND1 HIS A 15 0.533 11.008 -0.639 1.00 0.00 N ATOM 255 CD2 HIS A 15 -1.255 10.167 -1.609 1.00 0.00 C ATOM 256 CE1 HIS A 15 -0.224 10.388 0.285 1.00 0.00 C ATOM 257 NE2 HIS A 15 -1.325 9.857 -0.253 1.00 0.00 N ATOM 0 H HIS A 15 -1.364 12.009 -4.913 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.285 13.394 -2.440 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.235 10.802 -3.970 1.00 0.00 H new ATOM 0 HB3 HIS A 15 1.541 11.529 -3.055 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.990 9.889 -2.350 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.028 10.327 1.333 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.059 9.336 0.226 1.00 0.00 H new ATOM 266 N LYS A 16 0.635 14.986 -4.206 1.00 0.00 N ATOM 267 CA LYS A 16 1.529 15.874 -5.011 1.00 0.00 C ATOM 268 C LYS A 16 1.931 17.106 -4.193 1.00 0.00 C ATOM 269 O LYS A 16 2.239 18.149 -4.740 1.00 0.00 O ATOM 270 CB LYS A 16 0.698 16.280 -6.235 1.00 0.00 C ATOM 271 CG LYS A 16 -0.584 16.992 -5.788 1.00 0.00 C ATOM 272 CD LYS A 16 -1.544 17.106 -6.974 1.00 0.00 C ATOM 273 CE LYS A 16 -0.990 18.113 -7.985 1.00 0.00 C ATOM 274 NZ LYS A 16 -1.407 19.446 -7.469 1.00 0.00 N ATOM 0 H LYS A 16 -0.064 15.472 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 16 2.453 15.374 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.282 16.937 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.447 15.397 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.056 16.438 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.347 17.983 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.671 16.132 -7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.528 17.424 -6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.095 18.041 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.391 17.933 -8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.193 19.810 -8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.715 19.355 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.605 20.105 -7.522 1.00 0.00 H new ATOM 288 N ASP A 17 1.975 16.977 -2.891 1.00 0.00 N ATOM 289 CA ASP A 17 2.409 18.120 -2.033 1.00 0.00 C ATOM 290 C ASP A 17 3.845 17.901 -1.549 1.00 0.00 C ATOM 291 O ASP A 17 4.771 18.526 -2.029 1.00 0.00 O ATOM 292 CB ASP A 17 1.437 18.120 -0.852 1.00 0.00 C ATOM 293 CG ASP A 17 0.078 18.655 -1.309 1.00 0.00 C ATOM 294 OD1 ASP A 17 -0.009 19.842 -1.579 1.00 0.00 O ATOM 295 OD2 ASP A 17 -0.852 17.869 -1.379 1.00 0.00 O ATOM 0 H ASP A 17 1.728 16.127 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 17 2.397 19.069 -2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.328 17.110 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.830 18.737 -0.044 1.00 0.00 H new ATOM 300 N SER A 18 4.037 16.981 -0.638 1.00 0.00 N ATOM 301 CA SER A 18 5.417 16.671 -0.158 1.00 0.00 C ATOM 302 C SER A 18 5.921 15.379 -0.808 1.00 0.00 C ATOM 303 O SER A 18 5.410 14.948 -1.825 1.00 0.00 O ATOM 304 CB SER A 18 5.279 16.495 1.354 1.00 0.00 C ATOM 305 OG SER A 18 4.500 15.337 1.623 1.00 0.00 O ATOM 0 H SER A 18 3.296 16.430 -0.205 1.00 0.00 H new ATOM 0 HA SER A 18 6.131 17.454 -0.412 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.264 16.399 1.812 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.807 17.374 1.793 1.00 0.00 H new ATOM 0 HG SER A 18 4.411 15.220 2.592 1.00 0.00 H new ATOM 311 N LYS A 19 6.887 14.735 -0.202 1.00 0.00 N ATOM 312 CA LYS A 19 7.391 13.442 -0.751 1.00 0.00 C ATOM 313 C LYS A 19 6.853 12.274 0.078 1.00 0.00 C ATOM 314 O LYS A 19 6.859 12.309 1.295 1.00 0.00 O ATOM 315 CB LYS A 19 8.911 13.522 -0.634 1.00 0.00 C ATOM 316 CG LYS A 19 9.554 12.709 -1.760 1.00 0.00 C ATOM 317 CD LYS A 19 10.897 12.151 -1.284 1.00 0.00 C ATOM 318 CE LYS A 19 11.835 11.986 -2.482 1.00 0.00 C ATOM 319 NZ LYS A 19 13.130 11.542 -1.898 1.00 0.00 N ATOM 0 H LYS A 19 7.348 15.051 0.651 1.00 0.00 H new ATOM 0 HA LYS A 19 7.071 13.280 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.236 14.561 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.232 13.139 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.894 11.894 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.700 13.337 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.342 12.823 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.749 11.191 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.448 11.252 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.948 12.923 -3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.826 11.407 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.477 12.264 -1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.993 10.644 -1.391 1.00 0.00 H new ATOM 333 N SER A 20 6.425 11.225 -0.575 1.00 0.00 N ATOM 334 CA SER A 20 5.926 10.024 0.161 1.00 0.00 C ATOM 335 C SER A 20 5.709 8.862 -0.813 1.00 0.00 C ATOM 336 O SER A 20 6.079 8.936 -1.969 1.00 0.00 O ATOM 337 CB SER A 20 4.595 10.454 0.779 1.00 0.00 C ATOM 338 OG SER A 20 4.828 10.973 2.082 1.00 0.00 O ATOM 0 H SER A 20 6.399 11.148 -1.592 1.00 0.00 H new ATOM 0 HA SER A 20 6.634 9.684 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.118 11.209 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.913 9.605 0.830 1.00 0.00 H new ATOM 0 HG SER A 20 5.739 11.330 2.134 1.00 0.00 H new ATOM 344 N THR A 21 5.068 7.813 -0.364 1.00 0.00 N ATOM 345 CA THR A 21 4.770 6.665 -1.272 1.00 0.00 C ATOM 346 C THR A 21 3.637 5.811 -0.693 1.00 0.00 C ATOM 347 O THR A 21 3.773 5.221 0.362 1.00 0.00 O ATOM 348 CB THR A 21 6.075 5.862 -1.350 1.00 0.00 C ATOM 349 OG1 THR A 21 5.880 4.732 -2.189 1.00 0.00 O ATOM 350 CG2 THR A 21 6.493 5.392 0.048 1.00 0.00 C ATOM 0 H THR A 21 4.738 7.702 0.595 1.00 0.00 H new ATOM 0 HA THR A 21 4.442 6.994 -2.258 1.00 0.00 H new ATOM 0 HB THR A 21 6.861 6.497 -1.759 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.176 4.927 -2.842 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.420 4.823 -0.021 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.646 6.258 0.692 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.711 4.760 0.468 1.00 0.00 H new ATOM 358 N TRP A 22 2.538 5.712 -1.396 1.00 0.00 N ATOM 359 CA TRP A 22 1.408 4.861 -0.918 1.00 0.00 C ATOM 360 C TRP A 22 1.313 3.587 -1.764 1.00 0.00 C ATOM 361 O TRP A 22 0.522 3.501 -2.684 1.00 0.00 O ATOM 362 CB TRP A 22 0.158 5.726 -1.099 1.00 0.00 C ATOM 363 CG TRP A 22 -0.020 6.611 0.095 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.960 7.340 0.679 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.234 6.876 0.857 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.425 8.032 1.751 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.924 7.780 1.901 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.560 6.423 0.745 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.895 8.219 2.802 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.541 6.864 1.650 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.209 7.760 2.676 1.00 0.00 C ATOM 0 H TRP A 22 2.374 6.186 -2.284 1.00 0.00 H new ATOM 0 HA TRP A 22 1.535 4.544 0.117 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.250 6.330 -2.001 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.719 5.092 -1.228 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.991 7.376 0.360 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.962 8.653 2.357 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.827 5.732 -0.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.633 8.908 3.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.557 6.510 1.554 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.968 8.095 3.368 1.00 0.00 H new ATOM 382 N VAL A 23 2.102 2.594 -1.441 1.00 0.00 N ATOM 383 CA VAL A 23 2.054 1.309 -2.203 1.00 0.00 C ATOM 384 C VAL A 23 0.960 0.398 -1.635 1.00 0.00 C ATOM 385 O VAL A 23 1.148 -0.252 -0.623 1.00 0.00 O ATOM 386 CB VAL A 23 3.440 0.684 -2.006 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.506 -0.677 -2.708 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.507 1.609 -2.598 1.00 0.00 C ATOM 0 H VAL A 23 2.780 2.618 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 23 1.822 1.458 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 23 3.620 0.548 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.494 -1.114 -2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.751 -1.341 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.320 -0.546 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.492 1.164 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.319 1.747 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.470 2.575 -2.095 1.00 0.00 H new ATOM 398 N ILE A 24 -0.152 0.293 -2.315 1.00 0.00 N ATOM 399 CA ILE A 24 -1.228 -0.636 -1.856 1.00 0.00 C ATOM 400 C ILE A 24 -0.878 -2.068 -2.262 1.00 0.00 C ATOM 401 O ILE A 24 -0.453 -2.315 -3.376 1.00 0.00 O ATOM 402 CB ILE A 24 -2.508 -0.180 -2.572 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.755 1.323 -2.338 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.698 -0.980 -2.036 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.846 1.621 -0.837 1.00 0.00 C ATOM 0 H ILE A 24 -0.362 0.810 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.349 -0.617 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.393 -0.352 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.947 1.905 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.677 1.628 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.609 -0.660 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.535 -2.042 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.798 -0.809 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.021 2.686 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.669 1.054 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.913 1.335 -0.352 1.00 0.00 H new ATOM 417 N LEU A 25 -1.080 -3.017 -1.382 1.00 0.00 N ATOM 418 CA LEU A 25 -0.786 -4.439 -1.736 1.00 0.00 C ATOM 419 C LEU A 25 -2.095 -5.211 -1.968 1.00 0.00 C ATOM 420 O LEU A 25 -2.568 -5.310 -3.084 1.00 0.00 O ATOM 421 CB LEU A 25 -0.006 -4.998 -0.541 1.00 0.00 C ATOM 422 CG LEU A 25 1.495 -4.934 -0.835 1.00 0.00 C ATOM 423 CD1 LEU A 25 1.949 -3.473 -0.850 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.262 -5.694 0.248 1.00 0.00 C ATOM 0 H LEU A 25 -1.435 -2.869 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.212 -4.529 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.236 -4.425 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.306 -6.028 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 25 1.694 -5.388 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.018 -3.426 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.404 -2.931 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.749 -3.020 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.330 -5.648 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.064 -5.242 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.939 -6.735 0.260 1.00 0.00 H new ATOM 436 N HIS A 26 -2.716 -5.699 -0.921 1.00 0.00 N ATOM 437 CA HIS A 26 -4.031 -6.392 -1.078 1.00 0.00 C ATOM 438 C HIS A 26 -5.151 -5.540 -0.474 1.00 0.00 C ATOM 439 O HIS A 26 -6.285 -5.588 -0.910 1.00 0.00 O ATOM 440 CB HIS A 26 -3.881 -7.706 -0.309 1.00 0.00 C ATOM 441 CG HIS A 26 -2.924 -8.608 -1.037 1.00 0.00 C ATOM 442 ND1 HIS A 26 -3.227 -9.930 -1.327 1.00 0.00 N ATOM 443 CD2 HIS A 26 -1.664 -8.395 -1.541 1.00 0.00 C ATOM 444 CE1 HIS A 26 -2.173 -10.455 -1.976 1.00 0.00 C ATOM 445 NE2 HIS A 26 -1.192 -9.563 -2.133 1.00 0.00 N ATOM 0 H HIS A 26 -2.367 -5.647 0.036 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.288 -6.560 -2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.516 -7.510 0.699 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.851 -8.193 -0.208 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.122 -7.463 -1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.126 -11.475 -2.328 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.291 -9.707 -2.589 1.00 0.00 H new ATOM 453 N HIS A 27 -4.824 -4.729 0.500 1.00 0.00 N ATOM 454 CA HIS A 27 -5.841 -3.826 1.113 1.00 0.00 C ATOM 455 C HIS A 27 -5.144 -2.779 1.985 1.00 0.00 C ATOM 456 O HIS A 27 -5.483 -1.610 1.959 1.00 0.00 O ATOM 457 CB HIS A 27 -6.720 -4.742 1.966 1.00 0.00 C ATOM 458 CG HIS A 27 -7.943 -3.989 2.415 1.00 0.00 C ATOM 459 ND1 HIS A 27 -8.457 -4.111 3.696 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.764 -3.102 1.765 1.00 0.00 C ATOM 461 CE1 HIS A 27 -9.540 -3.319 3.776 1.00 0.00 C ATOM 462 NE2 HIS A 27 -9.774 -2.681 2.626 1.00 0.00 N ATOM 0 H HIS A 27 -3.888 -4.654 0.899 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.425 -3.286 0.368 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.012 -5.621 1.392 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.161 -5.098 2.831 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.645 -2.780 0.741 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.147 -3.211 4.663 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.530 -2.027 2.423 1.00 0.00 H new ATOM 470 N LYS A 28 -4.135 -3.184 2.716 1.00 0.00 N ATOM 471 CA LYS A 28 -3.364 -2.211 3.548 1.00 0.00 C ATOM 472 C LYS A 28 -2.669 -1.178 2.655 1.00 0.00 C ATOM 473 O LYS A 28 -2.137 -1.503 1.607 1.00 0.00 O ATOM 474 CB LYS A 28 -2.326 -3.051 4.296 1.00 0.00 C ATOM 475 CG LYS A 28 -2.904 -3.500 5.639 1.00 0.00 C ATOM 476 CD LYS A 28 -3.814 -4.711 5.424 1.00 0.00 C ATOM 477 CE LYS A 28 -3.735 -5.633 6.643 1.00 0.00 C ATOM 478 NZ LYS A 28 -4.419 -6.887 6.222 1.00 0.00 N ATOM 0 H LYS A 28 -3.812 -4.150 2.772 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.010 -1.659 4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.047 -3.920 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.418 -2.469 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.098 -3.755 6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.467 -2.686 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.842 -4.384 5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.512 -5.251 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.700 -5.824 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.226 -5.187 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.406 -7.570 7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.404 -6.675 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.926 -7.293 5.401 1.00 0.00 H new ATOM 492 N VAL A 29 -2.618 0.053 3.099 1.00 0.00 N ATOM 493 CA VAL A 29 -1.897 1.111 2.330 1.00 0.00 C ATOM 494 C VAL A 29 -0.515 1.340 2.948 1.00 0.00 C ATOM 495 O VAL A 29 -0.394 1.610 4.127 1.00 0.00 O ATOM 496 CB VAL A 29 -2.764 2.368 2.468 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.127 3.525 1.690 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.171 2.093 1.915 1.00 0.00 C ATOM 0 H VAL A 29 -3.048 0.372 3.967 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.746 0.841 1.285 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.836 2.637 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.747 4.416 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.133 3.727 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.048 3.255 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.783 2.989 2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.101 1.818 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.629 1.277 2.474 1.00 0.00 H new ATOM 508 N TYR A 30 0.526 1.211 2.165 1.00 0.00 N ATOM 509 CA TYR A 30 1.903 1.392 2.713 1.00 0.00 C ATOM 510 C TYR A 30 2.374 2.838 2.547 1.00 0.00 C ATOM 511 O TYR A 30 2.723 3.257 1.460 1.00 0.00 O ATOM 512 CB TYR A 30 2.792 0.468 1.883 1.00 0.00 C ATOM 513 CG TYR A 30 2.529 -0.970 2.250 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.309 -1.570 1.919 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.513 -1.707 2.918 1.00 0.00 C ATOM 516 CE1 TYR A 30 1.073 -2.905 2.257 1.00 0.00 C ATOM 517 CE2 TYR A 30 3.277 -3.042 3.256 1.00 0.00 C ATOM 518 CZ TYR A 30 2.056 -3.643 2.926 1.00 0.00 C ATOM 519 OH TYR A 30 1.824 -4.962 3.262 1.00 0.00 O ATOM 0 H TYR A 30 0.481 0.988 1.171 1.00 0.00 H new ATOM 0 HA TYR A 30 1.937 1.163 3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.599 0.622 0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.841 0.709 2.054 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.550 -1.001 1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.455 -1.244 3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.131 -3.368 2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.037 -3.611 3.772 1.00 0.00 H new ATOM 0 HH TYR A 30 0.985 -5.261 2.853 1.00 0.00 H new ATOM 529 N ASP A 31 2.564 3.534 3.639 1.00 0.00 N ATOM 530 CA ASP A 31 3.221 4.872 3.569 1.00 0.00 C ATOM 531 C ASP A 31 4.714 4.698 3.852 1.00 0.00 C ATOM 532 O ASP A 31 5.185 4.972 4.940 1.00 0.00 O ATOM 533 CB ASP A 31 2.556 5.709 4.661 1.00 0.00 C ATOM 534 CG ASP A 31 2.947 7.179 4.489 1.00 0.00 C ATOM 535 OD1 ASP A 31 2.964 7.637 3.359 1.00 0.00 O ATOM 536 OD2 ASP A 31 3.225 7.819 5.489 1.00 0.00 O ATOM 0 H ASP A 31 2.292 3.233 4.575 1.00 0.00 H new ATOM 0 HA ASP A 31 3.117 5.349 2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.473 5.601 4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.863 5.353 5.644 1.00 0.00 H new ATOM 541 N LEU A 32 5.435 4.145 2.911 1.00 0.00 N ATOM 542 CA LEU A 32 6.880 3.830 3.148 1.00 0.00 C ATOM 543 C LEU A 32 7.735 5.096 3.005 1.00 0.00 C ATOM 544 O LEU A 32 8.674 5.135 2.230 1.00 0.00 O ATOM 545 CB LEU A 32 7.267 2.796 2.070 1.00 0.00 C ATOM 546 CG LEU A 32 6.218 1.665 1.985 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.583 1.657 0.591 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.882 0.308 2.240 1.00 0.00 C ATOM 0 H LEU A 32 5.086 3.896 1.985 1.00 0.00 H new ATOM 0 HA LEU A 32 7.046 3.443 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.354 3.290 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.245 2.373 2.301 1.00 0.00 H new ATOM 0 HG LEU A 32 5.452 1.839 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.843 0.859 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.098 2.615 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.356 1.491 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.133 -0.481 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.655 0.135 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.331 0.304 3.233 1.00 0.00 H new ATOM 560 N THR A 33 7.450 6.111 3.782 1.00 0.00 N ATOM 561 CA THR A 33 8.280 7.356 3.731 1.00 0.00 C ATOM 562 C THR A 33 9.691 7.069 4.251 1.00 0.00 C ATOM 563 O THR A 33 10.673 7.403 3.619 1.00 0.00 O ATOM 564 CB THR A 33 7.571 8.365 4.644 1.00 0.00 C ATOM 565 OG1 THR A 33 7.561 7.875 5.980 1.00 0.00 O ATOM 566 CG2 THR A 33 6.133 8.585 4.161 1.00 0.00 C ATOM 0 H THR A 33 6.679 6.132 4.449 1.00 0.00 H new ATOM 0 HA THR A 33 8.379 7.735 2.714 1.00 0.00 H new ATOM 0 HB THR A 33 8.105 9.314 4.612 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.109 8.521 6.562 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.636 9.302 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.147 8.971 3.142 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.593 7.639 4.184 1.00 0.00 H new ATOM 574 N LYS A 34 9.791 6.415 5.381 1.00 0.00 N ATOM 575 CA LYS A 34 11.137 6.059 5.929 1.00 0.00 C ATOM 576 C LYS A 34 11.894 5.157 4.948 1.00 0.00 C ATOM 577 O LYS A 34 13.110 5.134 4.930 1.00 0.00 O ATOM 578 CB LYS A 34 10.857 5.311 7.235 1.00 0.00 C ATOM 579 CG LYS A 34 10.702 6.314 8.378 1.00 0.00 C ATOM 580 CD LYS A 34 12.071 6.898 8.734 1.00 0.00 C ATOM 581 CE LYS A 34 11.906 8.352 9.180 1.00 0.00 C ATOM 582 NZ LYS A 34 12.948 8.555 10.225 1.00 0.00 N ATOM 0 H LYS A 34 8.999 6.112 5.948 1.00 0.00 H new ATOM 0 HA LYS A 34 11.756 6.942 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.950 4.714 7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.672 4.620 7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.019 7.112 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.266 5.825 9.249 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.532 6.313 9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.736 6.844 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.045 9.039 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.907 8.532 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.898 9.531 10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.786 7.892 11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.888 8.384 9.815 1.00 0.00 H new ATOM 596 N PHE A 35 11.183 4.438 4.114 1.00 0.00 N ATOM 597 CA PHE A 35 11.860 3.564 3.108 1.00 0.00 C ATOM 598 C PHE A 35 12.106 4.339 1.811 1.00 0.00 C ATOM 599 O PHE A 35 13.046 4.069 1.088 1.00 0.00 O ATOM 600 CB PHE A 35 10.882 2.415 2.864 1.00 0.00 C ATOM 601 CG PHE A 35 11.639 1.197 2.391 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.350 0.412 3.307 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.626 0.850 1.034 1.00 0.00 C ATOM 604 CE1 PHE A 35 13.048 -0.718 2.867 1.00 0.00 C ATOM 605 CE2 PHE A 35 12.325 -0.280 0.594 1.00 0.00 C ATOM 606 CZ PHE A 35 13.035 -1.064 1.510 1.00 0.00 C ATOM 0 H PHE A 35 10.164 4.419 4.087 1.00 0.00 H new ATOM 0 HA PHE A 35 12.831 3.211 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.339 2.185 3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.141 2.707 2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.360 0.679 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.077 1.454 0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.597 -1.323 3.574 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.316 -0.547 -0.452 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.573 -1.936 1.170 1.00 0.00 H new ATOM 616 N LEU A 36 11.286 5.319 1.531 1.00 0.00 N ATOM 617 CA LEU A 36 11.490 6.142 0.298 1.00 0.00 C ATOM 618 C LEU A 36 12.802 6.929 0.392 1.00 0.00 C ATOM 619 O LEU A 36 13.414 7.247 -0.610 1.00 0.00 O ATOM 620 CB LEU A 36 10.295 7.098 0.247 1.00 0.00 C ATOM 621 CG LEU A 36 9.905 7.352 -1.210 1.00 0.00 C ATOM 622 CD1 LEU A 36 8.620 8.180 -1.258 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.030 8.117 -1.911 1.00 0.00 C ATOM 0 H LEU A 36 10.484 5.586 2.102 1.00 0.00 H new ATOM 0 HA LEU A 36 11.554 5.524 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.452 6.672 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.548 8.039 0.736 1.00 0.00 H new ATOM 0 HG LEU A 36 9.742 6.399 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.342 8.361 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.818 7.637 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.782 9.133 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.754 8.299 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.192 9.069 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.947 7.528 -1.877 1.00 0.00 H new ATOM 635 N GLU A 37 13.250 7.216 1.590 1.00 0.00 N ATOM 636 CA GLU A 37 14.542 7.952 1.753 1.00 0.00 C ATOM 637 C GLU A 37 15.652 6.996 2.207 1.00 0.00 C ATOM 638 O GLU A 37 16.818 7.215 1.933 1.00 0.00 O ATOM 639 CB GLU A 37 14.271 9.021 2.820 1.00 0.00 C ATOM 640 CG GLU A 37 13.815 8.361 4.126 1.00 0.00 C ATOM 641 CD GLU A 37 13.929 9.369 5.271 1.00 0.00 C ATOM 642 OE1 GLU A 37 15.016 9.508 5.806 1.00 0.00 O ATOM 643 OE2 GLU A 37 12.925 9.983 5.595 1.00 0.00 O ATOM 0 H GLU A 37 12.777 6.973 2.461 1.00 0.00 H new ATOM 0 HA GLU A 37 14.878 8.397 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.173 9.607 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.506 9.712 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.785 8.016 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.427 7.484 4.336 1.00 0.00 H new ATOM 650 N GLU A 38 15.295 5.915 2.857 1.00 0.00 N ATOM 651 CA GLU A 38 16.322 4.915 3.279 1.00 0.00 C ATOM 652 C GLU A 38 16.582 3.921 2.145 1.00 0.00 C ATOM 653 O GLU A 38 17.713 3.576 1.857 1.00 0.00 O ATOM 654 CB GLU A 38 15.711 4.204 4.487 1.00 0.00 C ATOM 655 CG GLU A 38 16.783 3.358 5.177 1.00 0.00 C ATOM 656 CD GLU A 38 16.195 2.712 6.432 1.00 0.00 C ATOM 657 OE1 GLU A 38 15.377 3.349 7.075 1.00 0.00 O ATOM 658 OE2 GLU A 38 16.571 1.590 6.729 1.00 0.00 O ATOM 0 H GLU A 38 14.335 5.683 3.113 1.00 0.00 H new ATOM 0 HA GLU A 38 17.278 5.379 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.304 4.935 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.882 3.571 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.148 2.589 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.638 3.981 5.442 1.00 0.00 H new ATOM 665 N HIS A 39 15.544 3.499 1.470 1.00 0.00 N ATOM 666 CA HIS A 39 15.718 2.573 0.311 1.00 0.00 C ATOM 667 C HIS A 39 14.890 3.074 -0.886 1.00 0.00 C ATOM 668 O HIS A 39 13.953 2.420 -1.301 1.00 0.00 O ATOM 669 CB HIS A 39 15.198 1.219 0.803 1.00 0.00 C ATOM 670 CG HIS A 39 16.025 0.749 1.968 1.00 0.00 C ATOM 671 ND1 HIS A 39 15.509 0.661 3.251 1.00 0.00 N ATOM 672 CD2 HIS A 39 17.331 0.336 2.061 1.00 0.00 C ATOM 673 CE1 HIS A 39 16.488 0.212 4.054 1.00 0.00 C ATOM 674 NE2 HIS A 39 17.622 -0.003 3.379 1.00 0.00 N ATOM 0 H HIS A 39 14.578 3.757 1.673 1.00 0.00 H new ATOM 0 HA HIS A 39 16.754 2.509 -0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.153 1.306 1.099 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.241 0.488 -0.004 1.00 0.00 H new ATOM 0 HD1 HIS A 39 14.558 0.895 3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.027 0.282 1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 39 16.373 0.045 5.115 1.00 0.00 H new ATOM 682 N PRO A 40 15.256 4.228 -1.410 1.00 0.00 N ATOM 683 CA PRO A 40 14.519 4.807 -2.570 1.00 0.00 C ATOM 684 C PRO A 40 14.402 3.791 -3.714 1.00 0.00 C ATOM 685 O PRO A 40 13.319 3.498 -4.185 1.00 0.00 O ATOM 686 CB PRO A 40 15.386 5.990 -2.994 1.00 0.00 C ATOM 687 CG PRO A 40 16.150 6.367 -1.766 1.00 0.00 C ATOM 688 CD PRO A 40 16.366 5.099 -0.985 1.00 0.00 C ATOM 0 HA PRO A 40 13.498 5.092 -2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.057 5.716 -3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.775 6.820 -3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.103 6.827 -2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 40 15.597 7.096 -1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 40 17.334 4.651 -1.210 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.341 5.282 0.089 1.00 0.00 H new ATOM 696 N GLY A 41 15.509 3.239 -4.144 1.00 0.00 N ATOM 697 CA GLY A 41 15.471 2.224 -5.238 1.00 0.00 C ATOM 698 C GLY A 41 15.143 2.917 -6.562 1.00 0.00 C ATOM 699 O GLY A 41 15.990 3.053 -7.425 1.00 0.00 O ATOM 0 H GLY A 41 16.439 3.449 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.432 1.714 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.722 1.463 -5.018 1.00 0.00 H new ATOM 703 N GLY A 42 13.939 3.406 -6.699 1.00 0.00 N ATOM 704 CA GLY A 42 13.561 4.155 -7.933 1.00 0.00 C ATOM 705 C GLY A 42 12.718 5.370 -7.547 1.00 0.00 C ATOM 706 O GLY A 42 13.040 6.494 -7.886 1.00 0.00 O ATOM 0 H GLY A 42 13.197 3.318 -6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.456 4.474 -8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.000 3.508 -8.608 1.00 0.00 H new ATOM 710 N GLU A 43 11.670 5.156 -6.792 1.00 0.00 N ATOM 711 CA GLU A 43 10.831 6.298 -6.317 1.00 0.00 C ATOM 712 C GLU A 43 9.852 5.818 -5.242 1.00 0.00 C ATOM 713 O GLU A 43 9.973 6.164 -4.083 1.00 0.00 O ATOM 714 CB GLU A 43 10.078 6.783 -7.559 1.00 0.00 C ATOM 715 CG GLU A 43 9.223 7.999 -7.197 1.00 0.00 C ATOM 716 CD GLU A 43 8.457 8.472 -8.434 1.00 0.00 C ATOM 717 OE1 GLU A 43 7.366 7.973 -8.658 1.00 0.00 O ATOM 718 OE2 GLU A 43 8.974 9.326 -9.135 1.00 0.00 O ATOM 0 H GLU A 43 11.358 4.235 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 43 11.427 7.094 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.785 7.044 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.447 5.985 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.525 7.742 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.856 8.802 -6.819 1.00 0.00 H new ATOM 725 N GLU A 44 8.915 4.982 -5.612 1.00 0.00 N ATOM 726 CA GLU A 44 7.958 4.425 -4.608 1.00 0.00 C ATOM 727 C GLU A 44 8.361 3.000 -4.191 1.00 0.00 C ATOM 728 O GLU A 44 7.803 2.448 -3.265 1.00 0.00 O ATOM 729 CB GLU A 44 6.606 4.408 -5.321 1.00 0.00 C ATOM 730 CG GLU A 44 6.024 5.822 -5.345 1.00 0.00 C ATOM 731 CD GLU A 44 4.497 5.747 -5.281 1.00 0.00 C ATOM 732 OE1 GLU A 44 3.994 4.883 -4.583 1.00 0.00 O ATOM 733 OE2 GLU A 44 3.856 6.555 -5.934 1.00 0.00 O ATOM 0 H GLU A 44 8.771 4.660 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 44 7.939 5.020 -3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.724 4.035 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.922 3.730 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.406 6.398 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.336 6.340 -6.252 1.00 0.00 H new ATOM 740 N VAL A 45 9.344 2.410 -4.853 1.00 0.00 N ATOM 741 CA VAL A 45 9.821 1.015 -4.503 1.00 0.00 C ATOM 742 C VAL A 45 8.640 0.062 -4.251 1.00 0.00 C ATOM 743 O VAL A 45 7.505 0.379 -4.546 1.00 0.00 O ATOM 744 CB VAL A 45 10.754 1.087 -3.253 1.00 0.00 C ATOM 745 CG1 VAL A 45 12.209 0.960 -3.706 1.00 0.00 C ATOM 746 CG2 VAL A 45 10.611 2.398 -2.459 1.00 0.00 C ATOM 0 H VAL A 45 9.843 2.841 -5.631 1.00 0.00 H new ATOM 0 HA VAL A 45 10.380 0.615 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 45 10.459 0.269 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.866 1.010 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.350 0.006 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.450 1.774 -4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.287 2.381 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.860 3.242 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.584 2.500 -2.107 1.00 0.00 H new ATOM 756 N LEU A 46 8.908 -1.108 -3.719 1.00 0.00 N ATOM 757 CA LEU A 46 7.822 -2.107 -3.450 1.00 0.00 C ATOM 758 C LEU A 46 6.971 -2.360 -4.711 1.00 0.00 C ATOM 759 O LEU A 46 7.285 -3.230 -5.502 1.00 0.00 O ATOM 760 CB LEU A 46 6.992 -1.502 -2.314 1.00 0.00 C ATOM 761 CG LEU A 46 7.836 -1.462 -1.033 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.389 -0.050 -0.825 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.965 -1.850 0.164 1.00 0.00 C ATOM 0 H LEU A 46 9.844 -1.417 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 46 8.224 -3.082 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.668 -0.496 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.091 -2.094 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 46 8.664 -2.165 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.988 -0.024 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.011 0.226 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.562 0.655 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.564 -1.822 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.136 -1.148 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.574 -2.857 0.018 1.00 0.00 H new ATOM 775 N ARG A 47 5.928 -1.591 -4.929 1.00 0.00 N ATOM 776 CA ARG A 47 5.103 -1.773 -6.161 1.00 0.00 C ATOM 777 C ARG A 47 4.782 -0.413 -6.789 1.00 0.00 C ATOM 778 O ARG A 47 3.984 0.345 -6.269 1.00 0.00 O ATOM 779 CB ARG A 47 3.822 -2.458 -5.684 1.00 0.00 C ATOM 780 CG ARG A 47 3.226 -3.282 -6.827 1.00 0.00 C ATOM 781 CD ARG A 47 1.783 -3.661 -6.485 1.00 0.00 C ATOM 782 NE ARG A 47 1.009 -2.386 -6.586 1.00 0.00 N ATOM 783 CZ ARG A 47 -0.298 -2.385 -6.759 1.00 0.00 C ATOM 784 NH1 ARG A 47 -0.986 -3.503 -6.807 1.00 0.00 N ATOM 785 NH2 ARG A 47 -0.924 -1.247 -6.885 1.00 0.00 N ATOM 0 H ARG A 47 5.615 -0.847 -4.305 1.00 0.00 H new ATOM 0 HA ARG A 47 5.620 -2.360 -6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.038 -3.102 -4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.103 -1.712 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.253 -2.710 -7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.820 -4.181 -6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.398 -4.411 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.714 -4.085 -5.483 1.00 0.00 H new ATOM 0 HE ARG A 47 1.503 -1.496 -6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.510 -4.400 -6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.997 -3.474 -6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.402 -0.371 -6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.935 -1.233 -7.019 1.00 0.00 H new ATOM 799 N GLU A 48 5.371 -0.118 -7.919 1.00 0.00 N ATOM 800 CA GLU A 48 5.075 1.173 -8.612 1.00 0.00 C ATOM 801 C GLU A 48 4.026 0.958 -9.706 1.00 0.00 C ATOM 802 O GLU A 48 3.996 1.665 -10.695 1.00 0.00 O ATOM 803 CB GLU A 48 6.408 1.608 -9.222 1.00 0.00 C ATOM 804 CG GLU A 48 7.423 1.862 -8.107 1.00 0.00 C ATOM 805 CD GLU A 48 8.822 1.478 -8.592 1.00 0.00 C ATOM 806 OE1 GLU A 48 9.469 2.318 -9.195 1.00 0.00 O ATOM 807 OE2 GLU A 48 9.222 0.350 -8.351 1.00 0.00 O ATOM 0 H GLU A 48 6.046 -0.717 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 48 4.673 1.925 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.779 0.837 -9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.270 2.512 -9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.403 2.912 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.161 1.281 -7.223 1.00 0.00 H new ATOM 814 N GLN A 49 3.139 0.009 -9.516 1.00 0.00 N ATOM 815 CA GLN A 49 2.049 -0.238 -10.519 1.00 0.00 C ATOM 816 C GLN A 49 2.635 -0.424 -11.924 1.00 0.00 C ATOM 817 O GLN A 49 1.972 -0.184 -12.917 1.00 0.00 O ATOM 818 CB GLN A 49 1.158 1.007 -10.468 1.00 0.00 C ATOM 819 CG GLN A 49 0.527 1.126 -9.079 1.00 0.00 C ATOM 820 CD GLN A 49 1.396 2.027 -8.199 1.00 0.00 C ATOM 821 OE1 GLN A 49 2.083 2.899 -8.692 1.00 0.00 O ATOM 822 NE2 GLN A 49 1.395 1.850 -6.906 1.00 0.00 N ATOM 0 H GLN A 49 3.122 -0.609 -8.705 1.00 0.00 H new ATOM 0 HA GLN A 49 1.491 -1.146 -10.291 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.746 1.898 -10.689 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.380 0.942 -11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.479 1.539 -9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.432 0.139 -8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.818 1.118 -6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.971 2.444 -6.310 1.00 0.00 H new ATOM 831 N ALA A 50 3.856 -0.885 -12.011 1.00 0.00 N ATOM 832 CA ALA A 50 4.477 -1.132 -13.347 1.00 0.00 C ATOM 833 C ALA A 50 4.579 -2.637 -13.613 1.00 0.00 C ATOM 834 O ALA A 50 4.487 -3.443 -12.705 1.00 0.00 O ATOM 835 CB ALA A 50 5.870 -0.509 -13.257 1.00 0.00 C ATOM 0 H ALA A 50 4.452 -1.102 -11.212 1.00 0.00 H new ATOM 0 HA ALA A 50 3.891 -0.705 -14.160 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.393 -0.649 -14.203 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.779 0.557 -13.047 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.433 -0.990 -12.457 1.00 0.00 H new ATOM 841 N GLY A 51 4.806 -3.016 -14.845 1.00 0.00 N ATOM 842 CA GLY A 51 4.960 -4.464 -15.172 1.00 0.00 C ATOM 843 C GLY A 51 6.191 -5.022 -14.456 1.00 0.00 C ATOM 844 O GLY A 51 7.190 -4.344 -14.303 1.00 0.00 O ATOM 0 H GLY A 51 4.891 -2.383 -15.640 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.069 -5.013 -14.867 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.062 -4.595 -16.249 1.00 0.00 H new ATOM 848 N GLY A 52 6.138 -6.266 -14.052 1.00 0.00 N ATOM 849 CA GLY A 52 7.316 -6.893 -13.384 1.00 0.00 C ATOM 850 C GLY A 52 7.035 -7.047 -11.888 1.00 0.00 C ATOM 851 O GLY A 52 6.089 -6.491 -11.366 1.00 0.00 O ATOM 0 H GLY A 52 5.327 -6.875 -14.157 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.523 -7.867 -13.828 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.203 -6.278 -13.536 1.00 0.00 H new ATOM 855 N ASP A 53 7.876 -7.772 -11.187 1.00 0.00 N ATOM 856 CA ASP A 53 7.699 -7.941 -9.706 1.00 0.00 C ATOM 857 C ASP A 53 6.285 -8.441 -9.381 1.00 0.00 C ATOM 858 O ASP A 53 5.469 -8.634 -10.262 1.00 0.00 O ATOM 859 CB ASP A 53 7.927 -6.550 -9.105 1.00 0.00 C ATOM 860 CG ASP A 53 8.643 -6.686 -7.760 1.00 0.00 C ATOM 861 OD1 ASP A 53 8.208 -7.497 -6.959 1.00 0.00 O ATOM 862 OD2 ASP A 53 9.614 -5.977 -7.553 1.00 0.00 O ATOM 0 H ASP A 53 8.683 -8.257 -11.579 1.00 0.00 H new ATOM 0 HA ASP A 53 8.393 -8.677 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.522 -5.941 -9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.973 -6.039 -8.971 1.00 0.00 H new ATOM 867 N ALA A 54 5.986 -8.617 -8.119 1.00 0.00 N ATOM 868 CA ALA A 54 4.616 -9.064 -7.723 1.00 0.00 C ATOM 869 C ALA A 54 4.428 -8.913 -6.210 1.00 0.00 C ATOM 870 O ALA A 54 5.156 -8.191 -5.556 1.00 0.00 O ATOM 871 CB ALA A 54 4.547 -10.537 -8.128 1.00 0.00 C ATOM 0 H ALA A 54 6.633 -8.470 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 54 3.834 -8.474 -8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.568 -10.940 -7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.704 -10.627 -9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.320 -11.096 -7.601 1.00 0.00 H new ATOM 877 N THR A 55 3.487 -9.627 -5.647 1.00 0.00 N ATOM 878 CA THR A 55 3.278 -9.571 -4.169 1.00 0.00 C ATOM 879 C THR A 55 3.819 -10.843 -3.506 1.00 0.00 C ATOM 880 O THR A 55 3.372 -11.238 -2.446 1.00 0.00 O ATOM 881 CB THR A 55 1.760 -9.461 -3.976 1.00 0.00 C ATOM 882 OG1 THR A 55 1.465 -9.429 -2.587 1.00 0.00 O ATOM 883 CG2 THR A 55 1.057 -10.662 -4.619 1.00 0.00 C ATOM 0 H THR A 55 2.853 -10.248 -6.149 1.00 0.00 H new ATOM 0 HA THR A 55 3.802 -8.731 -3.714 1.00 0.00 H new ATOM 0 HB THR A 55 1.405 -8.547 -4.451 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.037 -10.070 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.020 -10.573 -4.476 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.280 -10.686 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.410 -11.582 -4.154 1.00 0.00 H new ATOM 891 N GLU A 56 4.809 -11.459 -4.104 1.00 0.00 N ATOM 892 CA GLU A 56 5.420 -12.676 -3.493 1.00 0.00 C ATOM 893 C GLU A 56 6.925 -12.470 -3.295 1.00 0.00 C ATOM 894 O GLU A 56 7.691 -13.415 -3.278 1.00 0.00 O ATOM 895 CB GLU A 56 5.159 -13.798 -4.499 1.00 0.00 C ATOM 896 CG GLU A 56 3.726 -14.307 -4.337 1.00 0.00 C ATOM 897 CD GLU A 56 3.546 -15.591 -5.148 1.00 0.00 C ATOM 898 OE1 GLU A 56 3.848 -16.649 -4.620 1.00 0.00 O ATOM 899 OE2 GLU A 56 3.108 -15.497 -6.283 1.00 0.00 O ATOM 0 H GLU A 56 5.220 -11.169 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 56 5.000 -12.902 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.314 -13.433 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.865 -14.613 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.513 -14.496 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.019 -13.549 -4.675 1.00 0.00 H new ATOM 906 N ASN A 57 7.344 -11.245 -3.108 1.00 0.00 N ATOM 907 CA ASN A 57 8.793 -10.969 -2.864 1.00 0.00 C ATOM 908 C ASN A 57 8.984 -9.523 -2.397 1.00 0.00 C ATOM 909 O ASN A 57 9.872 -8.827 -2.854 1.00 0.00 O ATOM 910 CB ASN A 57 9.482 -11.202 -4.214 1.00 0.00 C ATOM 911 CG ASN A 57 8.879 -10.278 -5.279 1.00 0.00 C ATOM 912 OD1 ASN A 57 7.716 -10.392 -5.610 1.00 0.00 O ATOM 913 ND2 ASN A 57 9.628 -9.363 -5.831 1.00 0.00 N ATOM 0 H ASN A 57 6.743 -10.421 -3.114 1.00 0.00 H new ATOM 0 HA ASN A 57 9.209 -11.609 -2.086 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.552 -11.015 -4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.365 -12.243 -4.516 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.237 -8.743 -6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.605 -9.267 -5.553 1.00 0.00 H new ATOM 920 N PHE A 58 8.178 -9.081 -1.466 1.00 0.00 N ATOM 921 CA PHE A 58 8.328 -7.692 -0.933 1.00 0.00 C ATOM 922 C PHE A 58 9.502 -7.626 0.047 1.00 0.00 C ATOM 923 O PHE A 58 10.531 -7.046 -0.245 1.00 0.00 O ATOM 924 CB PHE A 58 7.010 -7.398 -0.210 1.00 0.00 C ATOM 925 CG PHE A 58 6.113 -6.573 -1.104 1.00 0.00 C ATOM 926 CD1 PHE A 58 5.578 -7.134 -2.270 1.00 0.00 C ATOM 927 CD2 PHE A 58 5.816 -5.247 -0.764 1.00 0.00 C ATOM 928 CE1 PHE A 58 4.746 -6.368 -3.096 1.00 0.00 C ATOM 929 CE2 PHE A 58 4.985 -4.483 -1.591 1.00 0.00 C ATOM 930 CZ PHE A 58 4.450 -5.043 -2.757 1.00 0.00 C ATOM 0 H PHE A 58 7.420 -9.623 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 58 8.530 -6.968 -1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.514 -8.331 0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.205 -6.863 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.807 -8.156 -2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.228 -4.815 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.333 -6.800 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.756 -3.460 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.809 -4.453 -3.395 1.00 0.00 H new ATOM 940 N GLU A 59 9.367 -8.250 1.190 1.00 0.00 N ATOM 941 CA GLU A 59 10.488 -8.262 2.178 1.00 0.00 C ATOM 942 C GLU A 59 11.563 -9.263 1.743 1.00 0.00 C ATOM 943 O GLU A 59 11.522 -10.424 2.102 1.00 0.00 O ATOM 944 CB GLU A 59 9.852 -8.700 3.498 1.00 0.00 C ATOM 945 CG GLU A 59 10.841 -8.469 4.643 1.00 0.00 C ATOM 946 CD GLU A 59 11.816 -9.645 4.720 1.00 0.00 C ATOM 947 OE1 GLU A 59 11.356 -10.759 4.909 1.00 0.00 O ATOM 948 OE2 GLU A 59 13.007 -9.411 4.590 1.00 0.00 O ATOM 0 H GLU A 59 8.528 -8.752 1.482 1.00 0.00 H new ATOM 0 HA GLU A 59 10.973 -7.289 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.935 -8.138 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.576 -9.753 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.388 -7.540 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.304 -8.365 5.586 1.00 0.00 H new ATOM 955 N ASP A 60 12.544 -8.807 1.006 1.00 0.00 N ATOM 956 CA ASP A 60 13.652 -9.713 0.579 1.00 0.00 C ATOM 957 C ASP A 60 14.951 -9.333 1.295 1.00 0.00 C ATOM 958 O ASP A 60 15.612 -8.378 0.931 1.00 0.00 O ATOM 959 CB ASP A 60 13.785 -9.494 -0.928 1.00 0.00 C ATOM 960 CG ASP A 60 14.816 -10.471 -1.497 1.00 0.00 C ATOM 961 OD1 ASP A 60 15.969 -10.376 -1.112 1.00 0.00 O ATOM 962 OD2 ASP A 60 14.434 -11.298 -2.309 1.00 0.00 O ATOM 0 H ASP A 60 12.625 -7.844 0.681 1.00 0.00 H new ATOM 0 HA ASP A 60 13.450 -10.756 0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.821 -9.642 -1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.090 -8.468 -1.131 1.00 0.00 H new ATOM 967 N VAL A 61 15.338 -10.098 2.285 1.00 0.00 N ATOM 968 CA VAL A 61 16.620 -9.811 3.003 1.00 0.00 C ATOM 969 C VAL A 61 17.802 -9.901 2.032 1.00 0.00 C ATOM 970 O VAL A 61 17.624 -10.017 0.835 1.00 0.00 O ATOM 971 CB VAL A 61 16.729 -10.886 4.093 1.00 0.00 C ATOM 972 CG1 VAL A 61 15.554 -10.749 5.062 1.00 0.00 C ATOM 973 CG2 VAL A 61 16.702 -12.282 3.458 1.00 0.00 C ATOM 0 H VAL A 61 14.823 -10.909 2.628 1.00 0.00 H new ATOM 0 HA VAL A 61 16.635 -8.808 3.428 1.00 0.00 H new ATOM 0 HB VAL A 61 17.668 -10.754 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 61 15.630 -11.512 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.575 -9.761 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.618 -10.876 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 61 16.780 -13.038 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 61 15.767 -12.416 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.540 -12.384 2.769 1.00 0.00 H new ATOM 983 N GLY A 62 19.006 -9.886 2.548 1.00 0.00 N ATOM 984 CA GLY A 62 20.205 -10.013 1.669 1.00 0.00 C ATOM 985 C GLY A 62 21.297 -9.058 2.153 1.00 0.00 C ATOM 986 O GLY A 62 22.472 -9.366 2.092 1.00 0.00 O ATOM 0 H GLY A 62 19.209 -9.791 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 62 20.572 -11.039 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 62 19.938 -9.784 0.637 1.00 0.00 H new ATOM 990 N HIS A 63 20.913 -7.919 2.669 1.00 0.00 N ATOM 991 CA HIS A 63 21.921 -6.953 3.204 1.00 0.00 C ATOM 992 C HIS A 63 21.611 -6.616 4.667 1.00 0.00 C ATOM 993 O HIS A 63 21.957 -5.556 5.154 1.00 0.00 O ATOM 994 CB HIS A 63 21.800 -5.705 2.318 1.00 0.00 C ATOM 995 CG HIS A 63 20.395 -5.159 2.376 1.00 0.00 C ATOM 996 ND1 HIS A 63 19.356 -5.714 1.646 1.00 0.00 N ATOM 997 CD2 HIS A 63 19.847 -4.111 3.073 1.00 0.00 C ATOM 998 CE1 HIS A 63 18.245 -5.003 1.917 1.00 0.00 C ATOM 999 NE2 HIS A 63 18.489 -4.014 2.782 1.00 0.00 N ATOM 0 H HIS A 63 19.942 -7.615 2.743 1.00 0.00 H new ATOM 0 HA HIS A 63 22.931 -7.362 3.183 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.507 -4.945 2.650 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.059 -5.954 1.289 1.00 0.00 H new ATOM 0 HD2 HIS A 63 20.387 -3.461 3.745 1.00 0.00 H new ATOM 0 HE1 HIS A 63 17.275 -5.207 1.488 1.00 0.00 H new ATOM 0 HE2 HIS A 63 17.823 -3.334 3.150 1.00 0.00 H new ATOM 1007 N SER A 64 20.997 -7.528 5.377 1.00 0.00 N ATOM 1008 CA SER A 64 20.701 -7.288 6.821 1.00 0.00 C ATOM 1009 C SER A 64 20.262 -8.591 7.494 1.00 0.00 C ATOM 1010 O SER A 64 19.420 -9.308 6.988 1.00 0.00 O ATOM 1011 CB SER A 64 19.560 -6.271 6.828 1.00 0.00 C ATOM 1012 OG SER A 64 19.729 -5.384 7.926 1.00 0.00 O ATOM 0 H SER A 64 20.687 -8.431 5.017 1.00 0.00 H new ATOM 0 HA SER A 64 21.573 -6.926 7.367 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.550 -5.712 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.601 -6.783 6.904 1.00 0.00 H new ATOM 0 HG SER A 64 19.200 -5.701 8.687 1.00 0.00 H new ATOM 1018 N THR A 65 20.801 -8.880 8.652 1.00 0.00 N ATOM 1019 CA THR A 65 20.390 -10.112 9.390 1.00 0.00 C ATOM 1020 C THR A 65 19.209 -9.805 10.316 1.00 0.00 C ATOM 1021 O THR A 65 19.217 -10.151 11.482 1.00 0.00 O ATOM 1022 CB THR A 65 21.620 -10.514 10.205 1.00 0.00 C ATOM 1023 OG1 THR A 65 22.105 -9.385 10.916 1.00 0.00 O ATOM 1024 CG2 THR A 65 22.708 -11.035 9.265 1.00 0.00 C ATOM 0 H THR A 65 21.510 -8.314 9.119 1.00 0.00 H new ATOM 0 HA THR A 65 20.068 -10.908 8.718 1.00 0.00 H new ATOM 0 HB THR A 65 21.348 -11.298 10.912 1.00 0.00 H new ATOM 0 HG1 THR A 65 22.892 -9.642 11.440 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.584 -11.321 9.846 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.334 -11.902 8.721 1.00 0.00 H new ATOM 0 HG23 THR A 65 22.982 -10.253 8.557 1.00 0.00 H new ATOM 1032 N ASP A 66 18.179 -9.191 9.791 1.00 0.00 N ATOM 1033 CA ASP A 66 16.972 -8.895 10.622 1.00 0.00 C ATOM 1034 C ASP A 66 15.783 -8.538 9.722 1.00 0.00 C ATOM 1035 O ASP A 66 15.385 -7.391 9.633 1.00 0.00 O ATOM 1036 CB ASP A 66 17.369 -7.704 11.502 1.00 0.00 C ATOM 1037 CG ASP A 66 17.787 -6.518 10.626 1.00 0.00 C ATOM 1038 OD1 ASP A 66 18.911 -6.525 10.153 1.00 0.00 O ATOM 1039 OD2 ASP A 66 16.976 -5.625 10.443 1.00 0.00 O ATOM 0 H ASP A 66 18.122 -8.881 8.821 1.00 0.00 H new ATOM 0 HA ASP A 66 16.665 -9.752 11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.532 -7.418 12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.190 -7.987 12.161 1.00 0.00 H new ATOM 1044 N ALA A 67 15.191 -9.519 9.090 1.00 0.00 N ATOM 1045 CA ALA A 67 13.996 -9.251 8.230 1.00 0.00 C ATOM 1046 C ALA A 67 12.858 -8.671 9.074 1.00 0.00 C ATOM 1047 O ALA A 67 12.481 -7.526 8.921 1.00 0.00 O ATOM 1048 CB ALA A 67 13.598 -10.612 7.655 1.00 0.00 C ATOM 0 H ALA A 67 15.483 -10.495 9.132 1.00 0.00 H new ATOM 0 HA ALA A 67 14.211 -8.528 7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.726 -10.494 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 67 14.426 -11.017 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 67 13.358 -11.295 8.470 1.00 0.00 H new ATOM 1054 N ARG A 68 12.333 -9.447 9.997 1.00 0.00 N ATOM 1055 CA ARG A 68 11.242 -8.944 10.901 1.00 0.00 C ATOM 1056 C ARG A 68 10.071 -8.365 10.094 1.00 0.00 C ATOM 1057 O ARG A 68 9.276 -7.601 10.604 1.00 0.00 O ATOM 1058 CB ARG A 68 11.888 -7.844 11.745 1.00 0.00 C ATOM 1059 CG ARG A 68 12.277 -8.403 13.115 1.00 0.00 C ATOM 1060 CD ARG A 68 12.581 -7.246 14.071 1.00 0.00 C ATOM 1061 NE ARG A 68 11.243 -6.768 14.541 1.00 0.00 N ATOM 1062 CZ ARG A 68 11.114 -6.076 15.656 1.00 0.00 C ATOM 1063 NH1 ARG A 68 12.155 -5.736 16.381 1.00 0.00 N ATOM 1064 NH2 ARG A 68 9.922 -5.717 16.048 1.00 0.00 N ATOM 0 H ARG A 68 12.615 -10.413 10.164 1.00 0.00 H new ATOM 0 HA ARG A 68 10.834 -9.751 11.510 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.770 -7.454 11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.195 -7.011 11.865 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.467 -9.015 13.513 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.149 -9.050 13.021 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.198 -7.577 14.907 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.129 -6.451 13.566 1.00 0.00 H new ATOM 0 HE ARG A 68 10.414 -6.982 13.987 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.093 -6.008 16.086 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.026 -5.200 17.239 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.105 -5.972 15.494 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.808 -5.181 16.909 1.00 0.00 H new ATOM 1078 N GLU A 69 9.943 -8.752 8.850 1.00 0.00 N ATOM 1079 CA GLU A 69 8.804 -8.265 8.003 1.00 0.00 C ATOM 1080 C GLU A 69 8.738 -6.733 8.009 1.00 0.00 C ATOM 1081 O GLU A 69 8.188 -6.132 8.913 1.00 0.00 O ATOM 1082 CB GLU A 69 7.541 -8.860 8.634 1.00 0.00 C ATOM 1083 CG GLU A 69 6.543 -9.224 7.532 1.00 0.00 C ATOM 1084 CD GLU A 69 7.063 -10.433 6.751 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.074 -11.515 7.313 1.00 0.00 O ATOM 1086 OE2 GLU A 69 7.439 -10.255 5.605 1.00 0.00 O ATOM 0 H GLU A 69 10.583 -9.390 8.378 1.00 0.00 H new ATOM 0 HA GLU A 69 8.919 -8.569 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.795 -9.746 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.093 -8.143 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.570 -9.451 7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.402 -8.377 6.860 1.00 0.00 H new ATOM 1093 N LEU A 70 9.262 -6.105 6.987 1.00 0.00 N ATOM 1094 CA LEU A 70 9.198 -4.614 6.905 1.00 0.00 C ATOM 1095 C LEU A 70 7.800 -4.163 6.467 1.00 0.00 C ATOM 1096 O LEU A 70 7.368 -3.071 6.785 1.00 0.00 O ATOM 1097 CB LEU A 70 10.239 -4.226 5.853 1.00 0.00 C ATOM 1098 CG LEU A 70 10.837 -2.864 6.203 1.00 0.00 C ATOM 1099 CD1 LEU A 70 11.722 -2.997 7.443 1.00 0.00 C ATOM 1100 CD2 LEU A 70 11.678 -2.359 5.029 1.00 0.00 C ATOM 0 H LEU A 70 9.732 -6.561 6.205 1.00 0.00 H new ATOM 0 HA LEU A 70 9.396 -4.143 7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.025 -4.980 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.778 -4.189 4.866 1.00 0.00 H new ATOM 0 HG LEU A 70 10.033 -2.157 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.148 -2.025 7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.124 -3.356 8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.526 -3.705 7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.105 -1.387 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.482 -3.067 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.048 -2.262 4.145 1.00 0.00 H new ATOM 1112 N SER A 71 7.082 -5.005 5.766 1.00 0.00 N ATOM 1113 CA SER A 71 5.697 -4.636 5.339 1.00 0.00 C ATOM 1114 C SER A 71 4.748 -4.648 6.544 1.00 0.00 C ATOM 1115 O SER A 71 3.797 -5.407 6.591 1.00 0.00 O ATOM 1116 CB SER A 71 5.291 -5.703 4.320 1.00 0.00 C ATOM 1117 OG SER A 71 5.709 -6.980 4.786 1.00 0.00 O ATOM 0 H SER A 71 7.394 -5.930 5.471 1.00 0.00 H new ATOM 0 HA SER A 71 5.653 -3.634 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.211 -5.692 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.745 -5.490 3.352 1.00 0.00 H new ATOM 0 HG SER A 71 5.449 -7.666 4.137 1.00 0.00 H new ATOM 1123 N LYS A 72 4.973 -3.773 7.490 1.00 0.00 N ATOM 1124 CA LYS A 72 4.058 -3.677 8.667 1.00 0.00 C ATOM 1125 C LYS A 72 4.199 -2.301 9.326 1.00 0.00 C ATOM 1126 O LYS A 72 3.314 -1.470 9.239 1.00 0.00 O ATOM 1127 CB LYS A 72 4.514 -4.787 9.620 1.00 0.00 C ATOM 1128 CG LYS A 72 3.293 -5.538 10.159 1.00 0.00 C ATOM 1129 CD LYS A 72 2.938 -6.683 9.209 1.00 0.00 C ATOM 1130 CE LYS A 72 2.281 -7.817 9.999 1.00 0.00 C ATOM 1131 NZ LYS A 72 2.696 -9.064 9.297 1.00 0.00 N ATOM 0 H LYS A 72 5.755 -3.118 7.498 1.00 0.00 H new ATOM 0 HA LYS A 72 3.010 -3.791 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.177 -5.478 9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.084 -4.360 10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.504 -5.929 11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.448 -4.857 10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.262 -6.328 8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.836 -7.046 8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.613 -7.819 11.037 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.196 -7.713 10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.284 -9.888 9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.361 -9.036 8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.733 -9.139 9.307 1.00 0.00 H new ATOM 1145 N THR A 73 5.331 -2.035 9.928 1.00 0.00 N ATOM 1146 CA THR A 73 5.565 -0.685 10.531 1.00 0.00 C ATOM 1147 C THR A 73 5.554 0.403 9.445 1.00 0.00 C ATOM 1148 O THR A 73 5.383 1.573 9.737 1.00 0.00 O ATOM 1149 CB THR A 73 6.942 -0.769 11.201 1.00 0.00 C ATOM 1150 OG1 THR A 73 7.247 0.480 11.806 1.00 0.00 O ATOM 1151 CG2 THR A 73 8.015 -1.109 10.164 1.00 0.00 C ATOM 0 H THR A 73 6.104 -2.693 10.028 1.00 0.00 H new ATOM 0 HA THR A 73 4.785 -0.421 11.245 1.00 0.00 H new ATOM 0 HB THR A 73 6.922 -1.552 11.959 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.126 0.429 12.236 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.988 -1.166 10.652 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.784 -2.069 9.703 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.038 -0.335 9.397 1.00 0.00 H new ATOM 1159 N TYR A 74 5.701 0.027 8.196 1.00 0.00 N ATOM 1160 CA TYR A 74 5.663 1.036 7.094 1.00 0.00 C ATOM 1161 C TYR A 74 4.249 1.138 6.508 1.00 0.00 C ATOM 1162 O TYR A 74 4.072 1.522 5.367 1.00 0.00 O ATOM 1163 CB TYR A 74 6.634 0.505 6.039 1.00 0.00 C ATOM 1164 CG TYR A 74 8.057 0.738 6.490 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.713 -0.228 7.261 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.720 1.917 6.133 1.00 0.00 C ATOM 1167 CE1 TYR A 74 10.032 -0.015 7.676 1.00 0.00 C ATOM 1168 CE2 TYR A 74 10.040 2.130 6.547 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.697 1.164 7.319 1.00 0.00 C ATOM 1170 OH TYR A 74 11.998 1.374 7.727 1.00 0.00 O ATOM 0 H TYR A 74 5.846 -0.936 7.894 1.00 0.00 H new ATOM 0 HA TYR A 74 5.935 2.032 7.443 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.464 -0.559 5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.458 1.004 5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.201 -1.138 7.536 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.213 2.663 5.538 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.537 -0.760 8.272 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.552 3.040 6.271 1.00 0.00 H new ATOM 0 HH TYR A 74 12.310 2.241 7.393 1.00 0.00 H new ATOM 1180 N ILE A 75 3.243 0.822 7.286 1.00 0.00 N ATOM 1181 CA ILE A 75 1.838 0.929 6.782 1.00 0.00 C ATOM 1182 C ILE A 75 1.068 1.974 7.598 1.00 0.00 C ATOM 1183 O ILE A 75 1.480 2.351 8.679 1.00 0.00 O ATOM 1184 CB ILE A 75 1.228 -0.466 6.971 1.00 0.00 C ATOM 1185 CG1 ILE A 75 2.084 -1.511 6.243 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.185 -0.487 6.388 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.566 -2.913 6.571 1.00 0.00 C ATOM 0 H ILE A 75 3.334 0.495 8.248 1.00 0.00 H new ATOM 0 HA ILE A 75 1.797 1.243 5.739 1.00 0.00 H new ATOM 0 HB ILE A 75 1.194 -0.699 8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.048 -1.341 5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.127 -1.417 6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.619 -1.478 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.801 0.251 6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.144 -0.250 5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.174 -3.656 6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.625 -3.080 7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.529 -3.003 6.246 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.044 2.443 7.088 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.844 3.467 7.833 1.00 0.00 C ATOM 1201 C ILE A 76 -2.292 3.001 8.030 1.00 0.00 C ATOM 1202 O ILE A 76 -2.897 3.272 9.051 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.796 4.735 6.968 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.286 4.427 5.544 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.642 5.252 6.911 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.342 5.719 4.724 1.00 0.00 C ATOM 0 H ILE A 76 -0.433 2.162 6.188 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.439 3.640 8.830 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.445 5.492 7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.617 3.711 5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.273 3.966 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.681 6.152 6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.985 5.484 7.919 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.286 4.488 6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.690 5.495 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.029 6.421 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.347 6.162 4.675 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.845 2.295 7.077 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.248 1.801 7.226 1.00 0.00 C ATOM 1220 C GLY A 77 -4.614 0.913 6.038 1.00 0.00 C ATOM 1221 O GLY A 77 -3.758 0.324 5.407 1.00 0.00 O ATOM 0 H GLY A 77 -2.386 2.039 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.349 1.240 8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.936 2.645 7.286 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.880 0.846 5.707 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.310 0.034 4.530 1.00 0.00 C ATOM 1227 C GLU A 78 -7.146 0.891 3.576 1.00 0.00 C ATOM 1228 O GLU A 78 -7.241 2.093 3.731 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.159 -1.097 5.113 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.296 -2.349 5.286 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.000 -3.328 6.228 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.218 -3.394 6.180 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -6.309 -3.995 6.981 1.00 0.00 O ATOM 0 H GLU A 78 -6.635 1.320 6.203 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.462 -0.346 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.576 -0.795 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.000 -1.311 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.122 -2.820 4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.320 -2.078 5.689 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.800 0.269 2.629 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.691 1.028 1.701 1.00 0.00 C ATOM 1242 C LEU A 79 -10.159 0.746 2.037 1.00 0.00 C ATOM 1243 O LEU A 79 -10.469 -0.186 2.754 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.343 0.508 0.304 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.780 1.532 -0.753 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.700 1.648 -1.833 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -10.096 1.080 -1.394 1.00 0.00 C ATOM 0 H LEU A 79 -7.755 -0.736 2.458 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.551 2.106 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.270 0.329 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.839 -0.446 0.127 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.923 2.502 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.012 2.375 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.764 1.974 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.554 0.678 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.404 1.808 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.955 0.109 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.866 1.001 -0.627 1.00 0.00 H new ATOM 1259 N HIS A 80 -11.062 1.533 1.508 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.514 1.299 1.776 1.00 0.00 C ATOM 1261 C HIS A 80 -13.052 0.186 0.856 1.00 0.00 C ATOM 1262 O HIS A 80 -12.798 0.205 -0.331 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.194 2.631 1.457 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.539 2.681 2.129 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.721 2.484 1.432 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.906 2.905 3.432 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.733 2.592 2.311 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.291 2.848 3.545 1.00 0.00 N ATOM 0 H HIS A 80 -10.856 2.327 0.902 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.699 0.981 2.802 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.574 3.459 1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.310 2.743 0.379 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.223 3.097 4.246 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.776 2.485 2.051 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.849 2.975 4.389 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.785 -0.757 1.422 1.00 0.00 N ATOM 1277 CA PRO A 81 -14.346 -1.875 0.609 1.00 0.00 C ATOM 1278 C PRO A 81 -15.136 -1.344 -0.596 1.00 0.00 C ATOM 1279 O PRO A 81 -15.285 -2.022 -1.595 1.00 0.00 O ATOM 1280 CB PRO A 81 -15.277 -2.597 1.582 1.00 0.00 C ATOM 1281 CG PRO A 81 -14.747 -2.266 2.937 1.00 0.00 C ATOM 1282 CD PRO A 81 -14.157 -0.886 2.843 1.00 0.00 C ATOM 0 HA PRO A 81 -13.570 -2.521 0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.307 -2.260 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.273 -3.673 1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.542 -2.297 3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.992 -2.990 3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.877 -0.123 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.290 -0.777 3.495 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.622 -0.128 -0.517 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.381 0.463 -1.669 1.00 0.00 C ATOM 1292 C ASP A 82 -15.527 0.445 -2.941 1.00 0.00 C ATOM 1293 O ASP A 82 -15.911 -0.122 -3.946 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.689 1.903 -1.252 1.00 0.00 C ATOM 1295 CG ASP A 82 -17.552 2.572 -2.323 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -18.693 2.168 -2.473 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -17.057 3.476 -2.976 1.00 0.00 O ATOM 0 H ASP A 82 -15.527 0.482 0.295 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.288 -0.100 -1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.208 1.912 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.762 2.460 -1.117 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.353 1.019 -2.885 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.443 0.991 -4.069 1.00 0.00 C ATOM 1304 C ASP A 83 -12.721 -0.359 -4.156 1.00 0.00 C ATOM 1305 O ASP A 83 -12.329 -0.791 -5.224 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.442 2.122 -3.830 1.00 0.00 C ATOM 1307 CG ASP A 83 -12.981 3.417 -4.442 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -13.166 3.447 -5.647 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.201 4.356 -3.694 1.00 0.00 O ATOM 0 H ASP A 83 -13.985 1.507 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.985 1.119 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.275 2.254 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.479 1.870 -4.275 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.587 -1.051 -3.049 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.943 -2.404 -3.074 1.00 0.00 C ATOM 1316 C ARG A 84 -12.706 -3.332 -4.026 1.00 0.00 C ATOM 1317 O ARG A 84 -12.192 -3.741 -5.051 1.00 0.00 O ATOM 1318 CB ARG A 84 -12.036 -2.922 -1.635 1.00 0.00 C ATOM 1319 CG ARG A 84 -11.019 -4.043 -1.416 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.599 -3.488 -1.551 1.00 0.00 C ATOM 1321 NE ARG A 84 -9.187 -3.828 -2.947 1.00 0.00 N ATOM 1322 CZ ARG A 84 -7.916 -3.886 -3.296 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -6.956 -3.604 -2.446 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -7.606 -4.232 -4.515 1.00 0.00 N ATOM 0 H ARG A 84 -12.896 -0.737 -2.129 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.911 -2.362 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.849 -2.108 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -13.043 -3.289 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.155 -4.482 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -11.179 -4.839 -2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.578 -2.411 -1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.927 -3.938 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.905 -4.020 -3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.185 -3.332 -1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.981 -3.657 -2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.342 -4.454 -5.185 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.627 -4.281 -4.798 1.00 0.00 H new ATOM 1338 N SER A 85 -13.956 -3.588 -3.735 1.00 0.00 N ATOM 1339 CA SER A 85 -14.797 -4.397 -4.666 1.00 0.00 C ATOM 1340 C SER A 85 -15.286 -3.507 -5.817 1.00 0.00 C ATOM 1341 O SER A 85 -14.642 -2.534 -6.162 1.00 0.00 O ATOM 1342 CB SER A 85 -15.965 -4.889 -3.806 1.00 0.00 C ATOM 1343 OG SER A 85 -15.467 -5.353 -2.559 1.00 0.00 O ATOM 0 H SER A 85 -14.431 -3.270 -2.890 1.00 0.00 H new ATOM 0 HA SER A 85 -14.258 -5.230 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.680 -4.082 -3.647 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.497 -5.690 -4.319 1.00 0.00 H new ATOM 0 HG SER A 85 -16.212 -5.667 -2.006 1.00 0.00 H new ATOM 1349 N LYS A 86 -16.450 -3.780 -6.359 1.00 0.00 N ATOM 1350 CA LYS A 86 -17.009 -2.891 -7.415 1.00 0.00 C ATOM 1351 C LYS A 86 -18.229 -2.142 -6.857 1.00 0.00 C ATOM 1352 O LYS A 86 -18.077 -1.123 -6.211 1.00 0.00 O ATOM 1353 CB LYS A 86 -17.381 -3.826 -8.572 1.00 0.00 C ATOM 1354 CG LYS A 86 -16.109 -4.435 -9.168 1.00 0.00 C ATOM 1355 CD LYS A 86 -15.653 -3.601 -10.367 1.00 0.00 C ATOM 1356 CE LYS A 86 -14.582 -2.601 -9.922 1.00 0.00 C ATOM 1357 NZ LYS A 86 -13.287 -3.231 -10.303 1.00 0.00 N ATOM 0 H LYS A 86 -17.033 -4.580 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.307 -2.128 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.043 -4.616 -8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.926 -3.274 -9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.322 -4.468 -8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.297 -5.463 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.255 -4.252 -11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.502 -3.071 -10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.712 -1.637 -10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.632 -2.420 -8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.503 -2.605 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.188 -4.143 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.265 -3.385 -11.331 1.00 0.00 H new ATOM 1371 N ILE A 87 -19.427 -2.662 -7.028 1.00 0.00 N ATOM 1372 CA ILE A 87 -20.627 -1.994 -6.432 1.00 0.00 C ATOM 1373 C ILE A 87 -21.547 -3.041 -5.798 1.00 0.00 C ATOM 1374 O ILE A 87 -22.007 -2.880 -4.684 1.00 0.00 O ATOM 1375 CB ILE A 87 -21.344 -1.295 -7.600 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -20.358 -0.444 -8.424 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -22.451 -0.393 -7.047 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -19.685 0.614 -7.539 1.00 0.00 C ATOM 0 H ILE A 87 -19.621 -3.515 -7.552 1.00 0.00 H new ATOM 0 HA ILE A 87 -20.349 -1.285 -5.652 1.00 0.00 H new ATOM 0 HB ILE A 87 -21.770 -2.059 -8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -19.600 -1.087 -8.871 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -20.887 0.043 -9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -22.961 0.104 -7.872 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -23.167 -0.996 -6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -22.014 0.356 -6.387 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.993 1.204 -8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -20.445 1.269 -7.113 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.138 0.121 -6.735 1.00 0.00 H new ATOM 1390 N ALA A 88 -21.795 -4.122 -6.493 1.00 0.00 N ATOM 1391 CA ALA A 88 -22.662 -5.203 -5.926 1.00 0.00 C ATOM 1392 C ALA A 88 -22.042 -5.762 -4.642 1.00 0.00 C ATOM 1393 O ALA A 88 -21.218 -6.658 -4.681 1.00 0.00 O ATOM 1394 CB ALA A 88 -22.720 -6.284 -7.006 1.00 0.00 C ATOM 0 H ALA A 88 -21.435 -4.304 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 88 -23.655 -4.836 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -23.340 -7.111 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -23.148 -5.866 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -21.713 -6.647 -7.212 1.00 0.00 H new ATOM 1400 N LYS A 89 -22.469 -5.274 -3.506 1.00 0.00 N ATOM 1401 CA LYS A 89 -21.950 -5.810 -2.210 1.00 0.00 C ATOM 1402 C LYS A 89 -22.803 -5.289 -1.038 1.00 0.00 C ATOM 1403 O LYS A 89 -22.302 -4.590 -0.178 1.00 0.00 O ATOM 1404 CB LYS A 89 -20.508 -5.298 -2.108 1.00 0.00 C ATOM 1405 CG LYS A 89 -20.487 -3.765 -2.169 1.00 0.00 C ATOM 1406 CD LYS A 89 -19.404 -3.230 -1.227 1.00 0.00 C ATOM 1407 CE LYS A 89 -20.028 -2.883 0.127 1.00 0.00 C ATOM 1408 NZ LYS A 89 -19.787 -4.080 0.979 1.00 0.00 N ATOM 0 H LYS A 89 -23.156 -4.526 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.992 -6.898 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.058 -5.639 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -19.909 -5.710 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.292 -3.434 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.461 -3.366 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.620 -3.976 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.935 -2.346 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.568 -1.993 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.094 -2.676 0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.834 -3.808 1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.512 -4.799 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.846 -4.471 0.770 1.00 0.00 H new ATOM 1422 N PRO A 90 -24.075 -5.644 -1.033 1.00 0.00 N ATOM 1423 CA PRO A 90 -24.988 -5.193 0.057 1.00 0.00 C ATOM 1424 C PRO A 90 -24.410 -5.541 1.435 1.00 0.00 C ATOM 1425 O PRO A 90 -24.080 -4.669 2.217 1.00 0.00 O ATOM 1426 CB PRO A 90 -26.271 -5.981 -0.199 1.00 0.00 C ATOM 1427 CG PRO A 90 -26.233 -6.314 -1.654 1.00 0.00 C ATOM 1428 CD PRO A 90 -24.784 -6.477 -2.021 1.00 0.00 C ATOM 0 HA PRO A 90 -25.142 -4.114 0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -26.309 -6.883 0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -27.153 -5.391 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -26.789 -7.229 -1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -26.695 -5.523 -2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -24.472 -7.520 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -24.589 -6.142 -3.040 1.00 0.00 H new ATOM 1436 N SER A 91 -24.254 -6.810 1.720 1.00 0.00 N ATOM 1437 CA SER A 91 -23.660 -7.225 3.026 1.00 0.00 C ATOM 1438 C SER A 91 -23.325 -8.720 3.003 1.00 0.00 C ATOM 1439 O SER A 91 -23.213 -9.321 1.951 1.00 0.00 O ATOM 1440 CB SER A 91 -24.743 -6.934 4.066 1.00 0.00 C ATOM 1441 OG SER A 91 -25.832 -7.827 3.872 1.00 0.00 O ATOM 0 H SER A 91 -24.514 -7.578 1.101 1.00 0.00 H new ATOM 0 HA SER A 91 -22.733 -6.695 3.245 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.338 -7.049 5.071 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.083 -5.902 3.975 1.00 0.00 H new ATOM 0 HG SER A 91 -26.527 -7.644 4.538 1.00 0.00 H new ATOM 1447 N GLU A 92 -23.209 -9.329 4.155 1.00 0.00 N ATOM 1448 CA GLU A 92 -22.933 -10.797 4.210 1.00 0.00 C ATOM 1449 C GLU A 92 -24.188 -11.557 4.648 1.00 0.00 C ATOM 1450 O GLU A 92 -24.990 -11.059 5.415 1.00 0.00 O ATOM 1451 CB GLU A 92 -21.810 -10.959 5.242 1.00 0.00 C ATOM 1452 CG GLU A 92 -22.253 -10.397 6.598 1.00 0.00 C ATOM 1453 CD GLU A 92 -21.317 -10.911 7.694 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -21.170 -12.116 7.803 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -20.765 -10.088 8.406 1.00 0.00 O ATOM 0 H GLU A 92 -23.294 -8.872 5.063 1.00 0.00 H new ATOM 0 HA GLU A 92 -22.646 -11.198 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -21.549 -12.012 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -20.914 -10.440 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -22.239 -9.307 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.279 -10.698 6.811 1.00 0.00 H new ATOM 1462 N THR A 93 -24.343 -12.775 4.191 1.00 0.00 N ATOM 1463 CA THR A 93 -25.523 -13.593 4.607 1.00 0.00 C ATOM 1464 C THR A 93 -25.150 -15.077 4.659 1.00 0.00 C ATOM 1465 O THR A 93 -25.996 -15.940 4.518 1.00 0.00 O ATOM 1466 CB THR A 93 -26.581 -13.346 3.529 1.00 0.00 C ATOM 1467 OG1 THR A 93 -25.963 -13.342 2.247 1.00 0.00 O ATOM 1468 CG2 THR A 93 -27.264 -11.999 3.779 1.00 0.00 C ATOM 0 H THR A 93 -23.702 -13.238 3.547 1.00 0.00 H new ATOM 0 HA THR A 93 -25.881 -13.320 5.600 1.00 0.00 H new ATOM 0 HB THR A 93 -27.328 -14.139 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 93 -26.641 -13.186 1.557 1.00 0.00 H new ATOM 0 HG21 THR A 93 -28.017 -11.825 3.010 1.00 0.00 H new ATOM 0 HG22 THR A 93 -27.741 -12.009 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 93 -26.521 -11.202 3.746 1.00 0.00 H new ATOM 1476 N LEU A 94 -23.896 -15.377 4.890 1.00 0.00 N ATOM 1477 CA LEU A 94 -23.470 -16.803 4.986 1.00 0.00 C ATOM 1478 C LEU A 94 -22.501 -16.994 6.160 1.00 0.00 C ATOM 1479 O LEU A 94 -22.475 -16.135 7.027 1.00 0.00 O ATOM 1480 CB LEU A 94 -22.785 -17.100 3.647 1.00 0.00 C ATOM 1481 CG LEU A 94 -21.544 -16.214 3.471 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -20.301 -16.980 3.928 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -21.393 -15.835 1.996 1.00 0.00 C ATOM 1484 OXT LEU A 94 -21.803 -17.994 6.171 1.00 0.00 O ATOM 0 H LEU A 94 -23.150 -14.693 5.016 1.00 0.00 H new ATOM 0 HA LEU A 94 -24.307 -17.477 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -22.498 -18.151 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -23.483 -16.926 2.828 1.00 0.00 H new ATOM 0 HG LEU A 94 -21.656 -15.310 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -19.420 -16.351 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -20.407 -17.252 4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -20.190 -17.884 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -20.512 -15.206 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -21.282 -16.739 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -22.278 -15.290 1.668 1.00 0.00 H new TER 1496 LEU A 94