USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 526 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: 1 68 ASN :FLIP amide:sc= -0.879 F(o=-9.3,f=-7.6) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -6.69! C(o=-9.8!,f=-7.6!) USER MOD Set 2.1: 1 25 GLN : amide:sc= -0.244 K(o=-5.7,f=-9.6!) USER MOD Set 2.2: 1 30 ASN :FLIP amide:sc= -2.16 F(o=-9.4,f=-5.7) USER MOD Set 2.3: 1 33 THR OG1 : rot -118:sc= -3.29! USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 167:sc= -0.0382 (180deg=-0.32) USER MOD Single : 1 12 GLN : amide:sc= -4.02! C(o=-4!,f=-4.4!) USER MOD Single : 1 20 SER OG : rot 7:sc= 1.1 USER MOD Single : 1 23 ASN :FLIP amide:sc= -1.68 F(o=-3.5,f=-1.7) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 112:sc= -4.67! USER MOD Single : 1 40 SER OG : rot 119:sc= 1.23 USER MOD Single : 1 41 GLN : amide:sc= -2.88 K(o=-2.9,f=-5.5!) USER MOD Single : 1 43 ASN : amide:sc= -2.87 K(o=-2.9,f=-5.6!) USER MOD Single : 1 44 TYR OH : rot 113:sc= 0.0895 USER MOD Single : 1 50 GLN : amide:sc=-0.00754 X(o=-0.0075,f=-0.23) USER MOD Single : 1 54 LYS NZ :NH3+ 171:sc= -0.548 (180deg=-0.733) USER MOD Single : 1 55 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.214) USER MOD Single : 1 58 THR OG1 : rot 79:sc= 0.434 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.411 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN :FLIP amide:sc= 0.606 F(o=-0.93,f=0.61) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.143 17.499 12.591 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.181 16.776 11.358 1.00 0.00 C ATOM 44 C VAL 1 4 -0.027 17.207 10.456 1.00 0.00 C ATOM 45 O VAL 1 4 -0.136 18.156 9.681 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.552 16.998 10.686 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.680 18.407 10.122 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.816 15.953 9.628 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.059 15.709 11.546 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.316 16.890 11.456 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.659 18.525 9.657 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.571 19.133 10.928 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -1.902 18.573 9.377 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.789 16.135 9.172 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -2.041 16.006 8.863 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.809 14.963 10.084 1.00 0.00 H new ATOM 58 N CYS 1 5 1.095 16.513 10.588 1.00 0.00 N ATOM 59 CA CYS 1 5 2.282 16.841 9.804 1.00 0.00 C ATOM 60 C CYS 1 5 2.025 16.532 8.335 1.00 0.00 C ATOM 61 O CYS 1 5 2.157 15.390 7.895 1.00 0.00 O ATOM 62 CB CYS 1 5 3.506 16.047 10.298 1.00 0.00 C ATOM 63 SG CYS 1 5 3.499 15.642 12.082 1.00 0.00 S ATOM 0 H CYS 1 5 1.210 15.725 11.225 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.493 17.904 9.924 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.571 15.119 9.731 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.406 16.620 10.075 1.00 0.00 H new ATOM 68 N GLY 1 6 1.642 17.562 7.586 1.00 0.00 N ATOM 69 CA GLY 1 6 1.345 17.392 6.176 1.00 0.00 C ATOM 70 C GLY 1 6 -0.143 17.194 5.919 1.00 0.00 C ATOM 71 O GLY 1 6 -0.541 16.799 4.824 1.00 0.00 O ATOM 0 H GLY 1 6 1.532 18.515 7.933 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.693 18.266 5.626 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 1.895 16.533 5.792 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.965 17.465 6.937 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.417 17.311 6.827 1.00 0.00 C ATOM 77 C ASN 1 7 -2.786 15.861 6.530 1.00 0.00 C ATOM 78 O ASN 1 7 -2.076 15.168 5.801 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.979 18.220 5.730 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.504 19.533 6.279 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.738 20.463 6.534 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -4.816 19.614 6.464 1.00 0.00 N ATOM 0 H ASN 1 7 -0.647 17.793 7.849 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.855 17.599 7.783 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -2.200 18.422 4.995 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.782 17.701 5.208 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -5.227 20.472 6.831 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -5.413 18.818 6.239 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.901 15.405 7.099 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.359 14.034 6.897 1.00 0.00 C ATOM 91 C LYS 1 8 -4.313 13.678 5.421 1.00 0.00 C ATOM 92 O LYS 1 8 -5.139 14.149 4.640 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.781 13.863 7.435 1.00 0.00 C ATOM 94 CG LYS 1 8 -6.349 12.468 7.229 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.636 11.443 8.097 1.00 0.00 C ATOM 96 CE LYS 1 8 -5.791 11.762 9.575 1.00 0.00 C ATOM 97 NZ LYS 1 8 -7.215 11.984 9.950 1.00 0.00 N ATOM 0 H LYS 1 8 -4.502 15.965 7.703 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.696 13.362 7.442 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.787 14.095 8.500 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.434 14.587 6.948 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -7.413 12.469 7.465 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.255 12.187 6.180 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -6.037 10.450 7.894 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.578 11.418 7.838 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -5.383 10.943 10.168 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -5.209 12.651 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -7.306 11.980 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -7.533 12.902 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -7.802 11.226 9.548 1.00 0.00 H new ATOM 111 N ILE 1 9 -3.331 12.866 5.033 1.00 0.00 N ATOM 112 CA ILE 1 9 -3.199 12.493 3.620 1.00 0.00 C ATOM 113 C ILE 1 9 -4.537 12.085 3.031 1.00 0.00 C ATOM 114 O ILE 1 9 -5.267 11.274 3.600 1.00 0.00 O ATOM 115 CB ILE 1 9 -2.180 11.364 3.353 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.607 10.048 4.023 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.790 11.794 3.781 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -1.748 9.631 5.196 1.00 0.00 C ATOM 0 H ILE 1 9 -2.631 12.462 5.655 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.823 13.394 3.135 1.00 0.00 H new ATOM 0 HB ILE 1 9 -2.154 11.173 2.280 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -3.638 10.146 4.362 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.590 9.254 3.277 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 -0.083 10.987 3.586 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.494 12.679 3.219 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.792 12.025 4.846 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.122 8.693 5.606 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -0.719 9.497 4.864 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -1.783 10.403 5.965 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.852 12.663 1.886 1.00 0.00 N ATOM 131 CA LEU 1 10 -6.100 12.372 1.208 1.00 0.00 C ATOM 132 C LEU 1 10 -5.900 11.329 0.116 1.00 0.00 C ATOM 133 O LEU 1 10 -6.784 11.098 -0.708 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.691 13.662 0.625 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.731 14.525 -0.210 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.935 15.464 0.684 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.794 13.666 -1.051 1.00 0.00 C ATOM 0 H LEU 1 10 -4.258 13.339 1.406 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.801 11.960 1.934 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.546 13.398 0.002 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -7.071 14.268 1.447 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.336 15.123 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.262 16.065 0.073 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.619 16.120 1.223 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.353 14.881 1.398 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -4.130 14.310 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.201 13.026 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.380 13.047 -1.730 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.725 10.707 0.121 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.385 9.687 -0.868 1.00 0.00 C ATOM 151 C GLU 1 11 -2.945 9.200 -0.702 1.00 0.00 C ATOM 152 O GLU 1 11 -2.227 9.036 -1.689 1.00 0.00 O ATOM 153 CB GLU 1 11 -4.558 10.249 -2.279 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.521 11.303 -2.639 1.00 0.00 C ATOM 155 CD GLU 1 11 -2.648 10.892 -3.809 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -2.541 9.675 -4.072 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -2.072 11.786 -4.462 1.00 0.00 O ATOM 0 H GLU 1 11 -3.989 10.892 0.802 1.00 0.00 H new ATOM 0 HA GLU 1 11 -5.058 8.843 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -4.500 9.432 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -5.554 10.683 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -4.028 12.237 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.890 11.497 -1.771 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.514 8.976 0.534 1.00 0.00 N ATOM 165 CA GLN 1 12 -1.151 8.520 0.773 1.00 0.00 C ATOM 166 C GLN 1 12 -1.113 7.333 1.742 1.00 0.00 C ATOM 167 O GLN 1 12 -1.270 6.185 1.328 1.00 0.00 O ATOM 168 CB GLN 1 12 -0.292 9.678 1.293 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.469 10.976 0.517 1.00 0.00 C ATOM 170 CD GLN 1 12 0.389 11.040 -0.732 1.00 0.00 C ATOM 171 OE1 GLN 1 12 1.574 11.364 -0.668 1.00 0.00 O ATOM 172 NE2 GLN 1 12 -0.208 10.730 -1.877 1.00 0.00 N ATOM 0 H GLN 1 12 -3.079 9.100 1.374 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.740 8.175 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.536 9.856 2.340 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.757 9.384 1.256 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.517 11.086 0.238 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 -0.222 11.817 1.165 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -1.193 10.467 -1.883 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 0.319 10.755 -2.750 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.883 7.607 3.025 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.804 6.543 4.007 1.00 0.00 C ATOM 183 C GLY 1 13 0.595 5.959 4.082 1.00 0.00 C ATOM 184 O GLY 1 13 0.790 4.863 4.603 1.00 0.00 O ATOM 0 H GLY 1 13 -0.750 8.547 3.399 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -1.092 6.927 4.986 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.515 5.757 3.751 1.00 0.00 H new ATOM 188 N GLU 1 14 1.561 6.712 3.543 1.00 0.00 N ATOM 189 CA GLU 1 14 2.977 6.318 3.507 1.00 0.00 C ATOM 190 C GLU 1 14 3.667 6.948 2.304 1.00 0.00 C ATOM 191 O GLU 1 14 4.895 7.012 2.246 1.00 0.00 O ATOM 192 CB GLU 1 14 3.144 4.796 3.457 1.00 0.00 C ATOM 193 CG GLU 1 14 3.408 4.162 4.814 1.00 0.00 C ATOM 194 CD GLU 1 14 3.269 2.652 4.788 1.00 0.00 C ATOM 195 OE1 GLU 1 14 4.164 1.983 4.229 1.00 0.00 O ATOM 196 OE2 GLU 1 14 2.266 2.139 5.326 1.00 0.00 O ATOM 0 H GLU 1 14 1.382 7.620 3.115 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.439 6.677 4.426 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.244 4.355 3.029 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.968 4.552 2.786 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.413 4.425 5.145 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 2.713 4.575 5.545 1.00 0.00 H new ATOM 203 N ASP 1 15 2.874 7.418 1.347 1.00 0.00 N ATOM 204 CA ASP 1 15 3.417 8.048 0.157 1.00 0.00 C ATOM 205 C ASP 1 15 4.178 9.317 0.523 1.00 0.00 C ATOM 206 O ASP 1 15 5.365 9.446 0.222 1.00 0.00 O ATOM 207 CB ASP 1 15 2.289 8.366 -0.825 1.00 0.00 C ATOM 208 CG ASP 1 15 2.779 9.080 -2.071 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.353 10.181 -1.937 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.589 8.537 -3.179 1.00 0.00 O ATOM 0 H ASP 1 15 1.855 7.373 1.375 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.114 7.358 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.793 7.439 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.543 8.985 -0.327 1.00 0.00 H new ATOM 215 N CYS 1 16 3.489 10.254 1.179 1.00 0.00 N ATOM 216 CA CYS 1 16 4.105 11.515 1.589 1.00 0.00 C ATOM 217 C CYS 1 16 3.044 12.512 2.063 1.00 0.00 C ATOM 218 O CYS 1 16 2.011 12.689 1.418 1.00 0.00 O ATOM 219 CB CYS 1 16 4.940 12.084 0.425 1.00 0.00 C ATOM 220 SG CYS 1 16 4.810 13.889 0.132 1.00 0.00 S ATOM 0 H CYS 1 16 2.506 10.162 1.436 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.770 11.332 2.433 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.987 11.842 0.606 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.647 11.568 -0.489 1.00 0.00 H new ATOM 225 N ASP 1 17 3.322 13.152 3.203 1.00 0.00 N ATOM 226 CA ASP 1 17 2.427 14.140 3.808 1.00 0.00 C ATOM 227 C ASP 1 17 1.438 13.462 4.746 1.00 0.00 C ATOM 228 O ASP 1 17 0.326 13.951 4.941 1.00 0.00 O ATOM 229 CB ASP 1 17 1.678 14.945 2.738 1.00 0.00 C ATOM 230 CG ASP 1 17 1.614 16.424 3.066 1.00 0.00 C ATOM 231 OD1 ASP 1 17 2.548 16.928 3.723 1.00 0.00 O ATOM 232 OD2 ASP 1 17 0.630 17.079 2.662 1.00 0.00 O ATOM 0 H ASP 1 17 4.179 12.998 3.734 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.040 14.833 4.384 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.170 14.810 1.775 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.666 14.554 2.636 1.00 0.00 H new ATOM 237 N CYS 1 18 1.861 12.328 5.316 1.00 0.00 N ATOM 238 CA CYS 1 18 1.033 11.542 6.236 1.00 0.00 C ATOM 239 C CYS 1 18 0.026 12.396 6.991 1.00 0.00 C ATOM 240 O CYS 1 18 -1.141 12.028 7.107 1.00 0.00 O ATOM 241 CB CYS 1 18 1.909 10.791 7.242 1.00 0.00 C ATOM 242 SG CYS 1 18 1.666 8.987 7.232 1.00 0.00 S ATOM 0 H CYS 1 18 2.786 11.930 5.152 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.478 10.833 5.621 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.956 11.008 7.030 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.702 11.170 8.243 1.00 0.00 H new ATOM 247 N GLY 1 19 0.478 13.528 7.512 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.414 14.385 8.260 1.00 0.00 C ATOM 249 C GLY 1 19 -0.852 13.739 9.541 1.00 0.00 C ATOM 250 O GLY 1 19 -0.499 14.201 10.619 1.00 0.00 O ATOM 0 H GLY 1 19 1.437 13.865 7.431 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.085 15.329 8.479 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.288 14.621 7.653 1.00 0.00 H new ATOM 254 N SER 1 20 -1.619 12.659 9.432 1.00 0.00 N ATOM 255 CA SER 1 20 -2.100 11.966 10.610 1.00 0.00 C ATOM 256 C SER 1 20 -0.944 11.675 11.552 1.00 0.00 C ATOM 257 O SER 1 20 -0.135 10.776 11.322 1.00 0.00 O ATOM 258 CB SER 1 20 -2.821 10.682 10.228 1.00 0.00 C ATOM 259 OG SER 1 20 -1.904 9.659 9.881 1.00 0.00 O ATOM 0 H SER 1 20 -1.916 12.251 8.545 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.815 12.610 11.123 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.442 10.350 11.060 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.489 10.874 9.389 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.991 9.960 10.072 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.855 12.473 12.621 1.00 0.00 N ATOM 266 CA PRO 1 21 0.207 12.362 13.621 1.00 0.00 C ATOM 267 C PRO 1 21 0.386 10.941 14.134 1.00 0.00 C ATOM 268 O PRO 1 21 1.465 10.574 14.600 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.266 13.293 14.737 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.108 14.308 14.041 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.790 13.570 12.922 1.00 0.00 C ATOM 0 HA PRO 1 21 1.182 12.627 13.213 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.838 12.752 15.491 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.576 13.759 15.249 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.837 14.747 14.723 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.498 15.126 13.657 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.767 13.194 13.225 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.950 14.212 12.055 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.665 10.135 14.030 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.596 8.749 14.470 1.00 0.00 C ATOM 281 C ALA 1 22 0.566 8.030 13.789 1.00 0.00 C ATOM 282 O ALA 1 22 1.063 7.020 14.285 1.00 0.00 O ATOM 283 CB ALA 1 22 -1.908 8.035 14.178 1.00 0.00 C ATOM 0 H ALA 1 22 -1.568 10.416 13.648 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.426 8.735 15.547 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.841 7.000 14.513 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.720 8.535 14.706 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.104 8.058 13.106 1.00 0.00 H new ATOM 289 N ASN 1 23 0.994 8.565 12.645 1.00 0.00 N ATOM 290 CA ASN 1 23 2.096 7.984 11.890 1.00 0.00 C ATOM 291 C ASN 1 23 3.253 8.973 11.726 1.00 0.00 C ATOM 292 O ASN 1 23 4.323 8.601 11.247 1.00 0.00 O ATOM 293 CB ASN 1 23 1.606 7.530 10.515 1.00 0.00 C ATOM 294 CG ASN 1 23 0.944 6.166 10.556 1.00 0.00 C ATOM 295 OD1 ASN 1 23 1.591 5.175 9.953 1.00 0.00 O flip ATOM 296 ND2 ASN 1 23 -0.136 6.005 11.124 1.00 0.00 N flip ATOM 0 H ASN 1 23 0.591 9.402 12.223 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.465 7.125 12.451 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.899 8.262 10.125 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.448 7.501 9.824 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -0.598 6.795 11.575 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -0.569 5.082 11.144 1.00 0.00 H new ATOM 303 N CYS 1 24 3.039 10.231 12.122 1.00 0.00 N ATOM 304 CA CYS 1 24 4.078 11.256 12.009 1.00 0.00 C ATOM 305 C CYS 1 24 5.314 10.864 12.813 1.00 0.00 C ATOM 306 O CYS 1 24 5.508 11.323 13.939 1.00 0.00 O ATOM 307 CB CYS 1 24 3.546 12.617 12.484 1.00 0.00 C ATOM 308 SG CYS 1 24 4.704 14.010 12.242 1.00 0.00 S ATOM 0 H CYS 1 24 2.161 10.562 12.521 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.361 11.338 10.959 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.619 12.836 11.954 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.299 12.547 13.543 1.00 0.00 H new ATOM 313 N GLN 1 25 6.145 10.008 12.225 1.00 0.00 N ATOM 314 CA GLN 1 25 7.363 9.545 12.878 1.00 0.00 C ATOM 315 C GLN 1 25 7.038 8.791 14.165 1.00 0.00 C ATOM 316 O GLN 1 25 7.272 9.294 15.265 1.00 0.00 O ATOM 317 CB GLN 1 25 8.285 10.728 13.183 1.00 0.00 C ATOM 318 CG GLN 1 25 8.796 11.436 11.939 1.00 0.00 C ATOM 319 CD GLN 1 25 10.028 10.773 11.355 1.00 0.00 C ATOM 320 OE1 GLN 1 25 10.102 9.547 11.262 1.00 0.00 O ATOM 321 NE2 GLN 1 25 11.003 11.581 10.957 1.00 0.00 N ATOM 0 H GLN 1 25 5.995 9.620 11.294 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.873 8.863 12.198 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.749 11.445 13.805 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.136 10.374 13.765 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 8.007 11.455 11.187 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 9.028 12.472 12.185 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 10.899 12.591 11.053 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 11.856 11.192 10.555 1.00 0.00 H new ATOM 330 N ASP 1 26 6.499 7.582 14.025 1.00 0.00 N ATOM 331 CA ASP 1 26 6.147 6.769 15.185 1.00 0.00 C ATOM 332 C ASP 1 26 5.566 5.418 14.772 1.00 0.00 C ATOM 333 O ASP 1 26 5.822 4.402 15.419 1.00 0.00 O ATOM 334 CB ASP 1 26 5.145 7.514 16.070 1.00 0.00 C ATOM 335 CG ASP 1 26 5.374 7.255 17.546 1.00 0.00 C ATOM 336 OD1 ASP 1 26 6.526 7.404 18.003 1.00 0.00 O ATOM 337 OD2 ASP 1 26 4.400 6.905 18.245 1.00 0.00 O ATOM 0 H ASP 1 26 6.298 7.146 13.125 1.00 0.00 H new ATOM 0 HA ASP 1 26 7.063 6.585 15.747 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 5.218 8.584 15.876 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 4.133 7.210 15.803 1.00 0.00 H new ATOM 342 N ARG 1 27 4.774 5.409 13.703 1.00 0.00 N ATOM 343 CA ARG 1 27 4.154 4.174 13.229 1.00 0.00 C ATOM 344 C ARG 1 27 4.972 3.528 12.105 1.00 0.00 C ATOM 345 O ARG 1 27 5.902 2.767 12.371 1.00 0.00 O ATOM 346 CB ARG 1 27 2.717 4.446 12.771 1.00 0.00 C ATOM 347 CG ARG 1 27 2.010 3.221 12.214 1.00 0.00 C ATOM 348 CD ARG 1 27 1.780 2.173 13.291 1.00 0.00 C ATOM 349 NE ARG 1 27 0.427 2.240 13.839 1.00 0.00 N ATOM 350 CZ ARG 1 27 -0.059 1.370 14.721 1.00 0.00 C ATOM 351 NH1 ARG 1 27 0.692 0.366 15.157 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -1.300 1.503 15.169 1.00 0.00 N ATOM 0 H ARG 1 27 4.547 6.237 13.152 1.00 0.00 H new ATOM 0 HA ARG 1 27 4.130 3.468 14.059 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 2.144 4.833 13.613 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.729 5.225 12.009 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.054 3.516 11.782 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.605 2.791 11.408 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 1.954 1.181 12.875 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 2.504 2.313 14.094 1.00 0.00 H new ATOM 0 HE ARG 1 27 -0.180 2.998 13.527 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 1.647 0.258 14.816 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 0.314 -0.298 15.833 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -1.882 2.272 14.838 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -1.672 0.836 15.845 1.00 0.00 H new ATOM 366 N CYS 1 28 4.625 3.826 10.854 1.00 0.00 N ATOM 367 CA CYS 1 28 5.334 3.260 9.711 1.00 0.00 C ATOM 368 C CYS 1 28 5.287 4.209 8.518 1.00 0.00 C ATOM 369 O CYS 1 28 5.327 3.777 7.365 1.00 0.00 O ATOM 370 CB CYS 1 28 4.722 1.911 9.323 1.00 0.00 C ATOM 371 SG CYS 1 28 5.857 0.805 8.421 1.00 0.00 S ATOM 0 H CYS 1 28 3.860 4.454 10.608 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.375 3.113 9.998 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 4.383 1.406 10.227 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 3.840 2.089 8.707 1.00 0.00 H new ATOM 376 N CYS 1 29 5.203 5.503 8.799 1.00 0.00 N ATOM 377 CA CYS 1 29 5.148 6.508 7.745 1.00 0.00 C ATOM 378 C CYS 1 29 5.781 7.816 8.208 1.00 0.00 C ATOM 379 O CYS 1 29 5.863 8.092 9.404 1.00 0.00 O ATOM 380 CB CYS 1 29 3.691 6.732 7.319 1.00 0.00 C ATOM 381 SG CYS 1 29 3.384 8.285 6.413 1.00 0.00 S ATOM 0 H CYS 1 29 5.172 5.881 9.746 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.717 6.149 6.887 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.378 5.896 6.693 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.062 6.717 8.209 1.00 0.00 H new ATOM 386 N ASN 1 30 6.225 8.618 7.247 1.00 0.00 N ATOM 387 CA ASN 1 30 6.847 9.899 7.545 1.00 0.00 C ATOM 388 C ASN 1 30 5.917 11.048 7.214 1.00 0.00 C ATOM 389 O ASN 1 30 5.826 11.488 6.068 1.00 0.00 O ATOM 390 CB ASN 1 30 8.152 10.060 6.776 1.00 0.00 C ATOM 391 CG ASN 1 30 9.282 9.245 7.374 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.504 9.407 8.673 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 9.947 8.479 6.677 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.165 8.401 6.252 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.060 9.918 8.614 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 7.999 9.758 5.740 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.435 11.113 6.763 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.741 8.386 5.682 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.704 7.937 7.094 1.00 0.00 H new ATOM 400 N ALA 1 31 5.259 11.548 8.241 1.00 0.00 N ATOM 401 CA ALA 1 31 4.359 12.679 8.092 1.00 0.00 C ATOM 402 C ALA 1 31 5.176 13.961 8.073 1.00 0.00 C ATOM 403 O ALA 1 31 4.742 14.990 7.555 1.00 0.00 O ATOM 404 CB ALA 1 31 3.325 12.699 9.211 1.00 0.00 C ATOM 0 H ALA 1 31 5.330 11.188 9.193 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.814 12.590 7.152 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.662 13.554 9.079 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.741 11.779 9.183 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.831 12.778 10.173 1.00 0.00 H new ATOM 410 N ALA 1 32 6.384 13.869 8.626 1.00 0.00 N ATOM 411 CA ALA 1 32 7.304 14.994 8.664 1.00 0.00 C ATOM 412 C ALA 1 32 8.391 14.828 7.606 1.00 0.00 C ATOM 413 O ALA 1 32 9.147 15.758 7.323 1.00 0.00 O ATOM 414 CB ALA 1 32 7.929 15.116 10.046 1.00 0.00 C ATOM 0 H ALA 1 32 6.746 13.018 9.056 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.747 15.906 8.450 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.616 15.962 10.061 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.145 15.271 10.787 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.474 14.202 10.281 1.00 0.00 H new ATOM 420 N THR 1 33 8.472 13.625 7.040 1.00 0.00 N ATOM 421 CA THR 1 33 9.473 13.313 6.031 1.00 0.00 C ATOM 422 C THR 1 33 8.836 12.956 4.689 1.00 0.00 C ATOM 423 O THR 1 33 9.519 12.499 3.772 1.00 0.00 O ATOM 424 CB THR 1 33 10.351 12.164 6.526 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.010 11.806 7.855 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.813 12.495 6.524 1.00 0.00 C ATOM 0 H THR 1 33 7.851 12.849 7.267 1.00 0.00 H new ATOM 0 HA THR 1 33 10.084 14.201 5.871 1.00 0.00 H new ATOM 0 HB THR 1 33 10.169 11.345 5.830 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.779 11.960 8.443 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.381 11.638 6.886 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.130 12.738 5.510 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.993 13.351 7.175 1.00 0.00 H new ATOM 434 N CYS 1 34 7.529 13.177 4.580 1.00 0.00 N ATOM 435 CA CYS 1 34 6.784 12.892 3.355 1.00 0.00 C ATOM 436 C CYS 1 34 7.255 11.611 2.670 1.00 0.00 C ATOM 437 O CYS 1 34 7.637 11.626 1.501 1.00 0.00 O ATOM 438 CB CYS 1 34 6.875 14.071 2.381 1.00 0.00 C ATOM 439 SG CYS 1 34 5.260 14.770 1.910 1.00 0.00 S ATOM 0 H CYS 1 34 6.957 13.557 5.334 1.00 0.00 H new ATOM 0 HA CYS 1 34 5.744 12.743 3.647 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.481 14.856 2.833 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 7.395 13.745 1.480 1.00 0.00 H new ATOM 444 N LYS 1 35 7.222 10.503 3.393 1.00 0.00 N ATOM 445 CA LYS 1 35 7.636 9.229 2.818 1.00 0.00 C ATOM 446 C LYS 1 35 7.384 8.061 3.759 1.00 0.00 C ATOM 447 O LYS 1 35 7.309 8.221 4.972 1.00 0.00 O ATOM 448 CB LYS 1 35 9.115 9.269 2.456 1.00 0.00 C ATOM 449 CG LYS 1 35 9.400 8.879 1.015 1.00 0.00 C ATOM 450 CD LYS 1 35 9.408 10.093 0.101 1.00 0.00 C ATOM 451 CE LYS 1 35 10.494 9.984 -0.956 1.00 0.00 C ATOM 452 NZ LYS 1 35 10.439 11.111 -1.928 1.00 0.00 N ATOM 0 H LYS 1 35 6.918 10.457 4.365 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.034 9.076 1.922 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.497 10.274 2.634 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.661 8.599 3.120 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 10.364 8.373 0.958 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 8.646 8.170 0.673 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 8.436 10.193 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.563 10.995 0.693 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.471 9.969 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 10.388 9.039 -1.489 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 11.196 10.999 -2.632 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 9.517 11.110 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 10.566 12.011 -1.423 1.00 0.00 H new ATOM 466 N LEU 1 36 7.282 6.876 3.183 1.00 0.00 N ATOM 467 CA LEU 1 36 7.075 5.670 3.974 1.00 0.00 C ATOM 468 C LEU 1 36 8.281 5.446 4.880 1.00 0.00 C ATOM 469 O LEU 1 36 9.362 5.973 4.620 1.00 0.00 O ATOM 470 CB LEU 1 36 6.868 4.459 3.064 1.00 0.00 C ATOM 471 CG LEU 1 36 7.911 4.298 1.958 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.277 2.833 1.782 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.396 4.886 0.653 1.00 0.00 C ATOM 0 H LEU 1 36 7.338 6.721 2.176 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.180 5.795 4.584 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.868 3.558 3.677 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 5.882 4.532 2.605 1.00 0.00 H new ATOM 0 HG LEU 1 36 8.810 4.842 2.246 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 9.021 2.736 0.991 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.687 2.446 2.715 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.386 2.265 1.514 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.150 4.763 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.483 4.370 0.357 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 7.185 5.947 0.790 1.00 0.00 H new ATOM 485 N THR 1 37 8.100 4.681 5.950 1.00 0.00 N ATOM 486 CA THR 1 37 9.194 4.427 6.881 1.00 0.00 C ATOM 487 C THR 1 37 10.068 3.263 6.431 1.00 0.00 C ATOM 488 O THR 1 37 9.631 2.392 5.680 1.00 0.00 O ATOM 489 CB THR 1 37 8.656 4.144 8.279 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.677 3.122 8.242 1.00 0.00 O ATOM 491 CG2 THR 1 37 8.043 5.359 8.934 1.00 0.00 C ATOM 0 H THR 1 37 7.218 4.230 6.193 1.00 0.00 H new ATOM 0 HA THR 1 37 9.808 5.327 6.900 1.00 0.00 H new ATOM 0 HB THR 1 37 9.518 3.833 8.869 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.023 2.321 8.688 1.00 0.00 H new ATOM 0 HG21 THR 1 37 7.679 5.093 9.926 1.00 0.00 H new ATOM 0 HG22 THR 1 37 8.795 6.143 9.022 1.00 0.00 H new ATOM 0 HG23 THR 1 37 7.212 5.719 8.327 1.00 0.00 H new ATOM 499 N PRO 1 38 11.324 3.239 6.907 1.00 0.00 N ATOM 500 CA PRO 1 38 12.287 2.184 6.578 1.00 0.00 C ATOM 501 C PRO 1 38 11.677 0.787 6.651 1.00 0.00 C ATOM 502 O PRO 1 38 10.928 0.474 7.577 1.00 0.00 O ATOM 503 CB PRO 1 38 13.346 2.358 7.663 1.00 0.00 C ATOM 504 CG PRO 1 38 13.342 3.816 7.947 1.00 0.00 C ATOM 505 CD PRO 1 38 11.907 4.249 7.817 1.00 0.00 C ATOM 0 HA PRO 1 38 12.663 2.269 5.558 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.103 1.778 8.553 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.325 2.022 7.321 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 13.725 4.022 8.947 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 13.979 4.354 7.245 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.401 4.259 8.783 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 11.827 5.255 7.405 1.00 0.00 H new ATOM 513 N GLY 1 39 12.006 -0.049 5.672 1.00 0.00 N ATOM 514 CA GLY 1 39 11.485 -1.404 5.647 1.00 0.00 C ATOM 515 C GLY 1 39 10.215 -1.527 4.828 1.00 0.00 C ATOM 516 O GLY 1 39 9.963 -2.565 4.216 1.00 0.00 O ATOM 0 H GLY 1 39 12.624 0.187 4.896 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.242 -2.073 5.238 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.288 -1.732 6.668 1.00 0.00 H new ATOM 520 N SER 1 40 9.412 -0.468 4.818 1.00 0.00 N ATOM 521 CA SER 1 40 8.161 -0.464 4.069 1.00 0.00 C ATOM 522 C SER 1 40 8.408 -0.736 2.589 1.00 0.00 C ATOM 523 O SER 1 40 9.046 0.060 1.899 1.00 0.00 O ATOM 524 CB SER 1 40 7.445 0.876 4.243 1.00 0.00 C ATOM 525 OG SER 1 40 6.282 0.942 3.436 1.00 0.00 O ATOM 0 H SER 1 40 9.605 0.398 5.320 1.00 0.00 H new ATOM 0 HA SER 1 40 7.529 -1.260 4.462 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.173 1.013 5.290 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.121 1.690 3.980 1.00 0.00 H new ATOM 0 HG SER 1 40 5.493 1.049 4.007 1.00 0.00 H new ATOM 531 N GLN 1 41 7.900 -1.866 2.107 1.00 0.00 N ATOM 532 CA GLN 1 41 8.066 -2.244 0.708 1.00 0.00 C ATOM 533 C GLN 1 41 7.195 -1.384 -0.200 1.00 0.00 C ATOM 534 O GLN 1 41 7.480 -1.232 -1.388 1.00 0.00 O ATOM 535 CB GLN 1 41 7.716 -3.721 0.508 1.00 0.00 C ATOM 536 CG GLN 1 41 8.359 -4.643 1.530 1.00 0.00 C ATOM 537 CD GLN 1 41 9.870 -4.525 1.553 1.00 0.00 C ATOM 538 OE1 GLN 1 41 10.479 -4.403 2.615 1.00 0.00 O ATOM 539 NE2 GLN 1 41 10.484 -4.560 0.376 1.00 0.00 N ATOM 0 H GLN 1 41 7.370 -2.536 2.665 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.111 -2.083 0.442 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 6.633 -3.839 0.555 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 8.026 -4.027 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 7.965 -4.413 2.520 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.082 -5.674 1.309 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 9.940 -4.663 -0.480 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 11.500 -4.484 0.328 1.00 0.00 H new ATOM 548 N CYS 1 42 6.126 -0.829 0.361 1.00 0.00 N ATOM 549 CA CYS 1 42 5.213 0.005 -0.407 1.00 0.00 C ATOM 550 C CYS 1 42 4.332 0.842 0.512 1.00 0.00 C ATOM 551 O CYS 1 42 3.848 0.360 1.536 1.00 0.00 O ATOM 552 CB CYS 1 42 4.347 -0.871 -1.310 1.00 0.00 C ATOM 553 SG CYS 1 42 3.096 0.044 -2.264 1.00 0.00 S ATOM 0 H CYS 1 42 5.872 -0.942 1.342 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.803 0.685 -1.021 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.994 -1.409 -2.003 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.844 -1.619 -0.697 1.00 0.00 H new ATOM 558 N ASN 1 43 4.124 2.098 0.133 1.00 0.00 N ATOM 559 CA ASN 1 43 3.296 3.003 0.918 1.00 0.00 C ATOM 560 C ASN 1 43 1.830 2.606 0.818 1.00 0.00 C ATOM 561 O ASN 1 43 1.089 2.661 1.799 1.00 0.00 O ATOM 562 CB ASN 1 43 3.482 4.444 0.438 1.00 0.00 C ATOM 563 CG ASN 1 43 3.322 4.578 -1.063 1.00 0.00 C ATOM 564 OD1 ASN 1 43 2.242 4.346 -1.607 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.399 4.956 -1.742 1.00 0.00 N ATOM 0 H ASN 1 43 4.517 2.511 -0.712 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.606 2.935 1.961 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.757 5.087 0.937 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.472 4.796 0.728 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 4.351 5.064 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.274 5.138 -1.250 1.00 0.00 H new ATOM 572 N TYR 1 44 1.423 2.199 -0.377 1.00 0.00 N ATOM 573 CA TYR 1 44 0.049 1.782 -0.621 1.00 0.00 C ATOM 574 C TYR 1 44 -0.115 1.286 -2.053 1.00 0.00 C ATOM 575 O TYR 1 44 0.725 1.549 -2.913 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.921 2.934 -0.343 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.917 4.009 -1.406 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.472 3.775 -2.659 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.357 5.254 -1.158 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.468 4.752 -3.632 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.349 6.238 -2.124 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.906 5.984 -3.362 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.901 6.962 -4.330 1.00 0.00 O ATOM 0 H TYR 1 44 2.029 2.149 -1.196 1.00 0.00 H new ATOM 0 HA TYR 1 44 -0.184 0.962 0.058 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.930 2.532 -0.251 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.668 3.385 0.617 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.913 2.813 -2.874 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.080 5.456 -0.191 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.902 4.555 -4.601 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.090 7.202 -1.914 1.00 0.00 H new ATOM 0 HH TYR 1 44 -1.485 7.699 -4.053 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.200 0.567 -2.303 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.453 0.042 -3.630 1.00 0.00 C ATOM 595 C GLY 1 45 -2.204 -1.272 -3.591 1.00 0.00 C ATOM 596 O GLY 1 45 -2.591 -1.740 -2.520 1.00 0.00 O ATOM 0 H GLY 1 45 -1.911 0.337 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.027 0.770 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.505 -0.098 -4.150 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.409 -1.873 -4.757 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.118 -3.137 -4.840 1.00 0.00 C ATOM 602 C GLU 1 46 -2.365 -4.228 -4.091 1.00 0.00 C ATOM 603 O GLU 1 46 -2.970 -5.136 -3.522 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.311 -3.530 -6.301 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.537 -2.891 -6.934 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.454 -2.836 -8.447 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.328 -2.726 -8.977 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.515 -2.901 -9.103 1.00 0.00 O ATOM 0 H GLU 1 46 -2.094 -1.504 -5.654 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.096 -3.019 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.425 -3.243 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.397 -4.614 -6.371 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.425 -3.452 -6.643 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.657 -1.880 -6.544 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.041 -4.128 -4.089 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.206 -5.104 -3.402 1.00 0.00 C ATOM 617 C CYS 1 47 0.537 -4.462 -2.240 1.00 0.00 C ATOM 618 O CYS 1 47 1.693 -4.786 -1.984 1.00 0.00 O ATOM 619 CB CYS 1 47 0.798 -5.721 -4.374 1.00 0.00 C ATOM 620 SG CYS 1 47 0.043 -6.814 -5.618 1.00 0.00 S ATOM 0 H CYS 1 47 -0.524 -3.382 -4.555 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.857 -5.886 -3.011 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.333 -4.921 -4.885 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.537 -6.288 -3.807 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.122 -3.546 -1.541 1.00 0.00 N ATOM 626 CA CYS 1 48 0.507 -2.866 -0.416 1.00 0.00 C ATOM 627 C CYS 1 48 -0.400 -2.858 0.809 1.00 0.00 C ATOM 628 O CYS 1 48 -1.507 -2.322 0.775 1.00 0.00 O ATOM 629 CB CYS 1 48 0.878 -1.437 -0.808 1.00 0.00 C ATOM 630 SG CYS 1 48 1.586 -1.294 -2.482 1.00 0.00 S ATOM 0 H CYS 1 48 -1.082 -3.259 -1.731 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.413 -3.414 -0.156 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -0.012 -0.810 -0.745 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.595 -1.046 -0.086 1.00 0.00 H new ATOM 635 N ASP 1 49 0.086 -3.455 1.892 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.666 -3.520 3.139 1.00 0.00 C ATOM 637 C ASP 1 49 0.257 -3.293 4.331 1.00 0.00 C ATOM 638 O ASP 1 49 1.310 -3.921 4.439 1.00 0.00 O ATOM 639 CB ASP 1 49 -1.365 -4.874 3.269 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.570 -4.817 4.187 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.376 -4.729 5.417 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -3.709 -4.860 3.675 1.00 0.00 O ATOM 0 H ASP 1 49 1.002 -3.903 1.931 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.421 -2.734 3.126 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.679 -5.214 2.282 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.657 -5.610 3.649 1.00 0.00 H new ATOM 647 N GLN 1 50 -0.141 -2.386 5.218 1.00 0.00 N ATOM 648 CA GLN 1 50 0.653 -2.069 6.402 1.00 0.00 C ATOM 649 C GLN 1 50 1.987 -1.439 6.009 1.00 0.00 C ATOM 650 O GLN 1 50 2.159 -0.224 6.098 1.00 0.00 O ATOM 651 CB GLN 1 50 0.890 -3.325 7.244 1.00 0.00 C ATOM 652 CG GLN 1 50 -0.379 -3.895 7.858 1.00 0.00 C ATOM 653 CD GLN 1 50 -0.104 -4.737 9.088 1.00 0.00 C ATOM 654 OE1 GLN 1 50 0.574 -4.298 10.017 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -0.631 -5.956 9.100 1.00 0.00 N ATOM 0 H GLN 1 50 -1.009 -1.857 5.140 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.094 -1.349 6.999 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 1.356 -4.088 6.620 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.595 -3.090 8.041 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -1.048 -3.077 8.124 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -0.897 -4.502 7.115 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -1.187 -6.279 8.308 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -0.480 -6.569 9.901 1.00 0.00 H new ATOM 664 N CYS 1 51 2.928 -2.271 5.570 1.00 0.00 N ATOM 665 CA CYS 1 51 4.243 -1.790 5.161 1.00 0.00 C ATOM 666 C CYS 1 51 5.024 -2.886 4.436 1.00 0.00 C ATOM 667 O CYS 1 51 6.234 -3.022 4.611 1.00 0.00 O ATOM 668 CB CYS 1 51 5.031 -1.293 6.377 1.00 0.00 C ATOM 669 SG CYS 1 51 4.926 0.508 6.640 1.00 0.00 S ATOM 0 H CYS 1 51 2.804 -3.280 5.489 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.100 -0.959 4.471 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 4.664 -1.802 7.268 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.078 -1.572 6.258 1.00 0.00 H new ATOM 674 N ARG 1 52 4.319 -3.663 3.619 1.00 0.00 N ATOM 675 CA ARG 1 52 4.940 -4.746 2.861 1.00 0.00 C ATOM 676 C ARG 1 52 4.056 -5.156 1.687 1.00 0.00 C ATOM 677 O ARG 1 52 2.842 -4.953 1.716 1.00 0.00 O ATOM 678 CB ARG 1 52 5.196 -5.951 3.769 1.00 0.00 C ATOM 679 CG ARG 1 52 6.473 -6.705 3.433 1.00 0.00 C ATOM 680 CD ARG 1 52 7.649 -6.200 4.252 1.00 0.00 C ATOM 681 NE ARG 1 52 8.931 -6.555 3.646 1.00 0.00 N ATOM 682 CZ ARG 1 52 10.088 -6.548 4.303 1.00 0.00 C ATOM 683 NH1 ARG 1 52 10.130 -6.206 5.585 1.00 0.00 N ATOM 684 NH2 ARG 1 52 11.208 -6.885 3.676 1.00 0.00 N ATOM 0 H ARG 1 52 3.316 -3.563 3.464 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.893 -4.388 2.471 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 5.246 -5.612 4.804 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 4.350 -6.635 3.698 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.328 -7.769 3.620 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.693 -6.595 2.371 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.583 -5.117 4.352 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.596 -6.616 5.258 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.939 -6.824 2.662 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 9.272 -5.947 6.072 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 11.020 -6.203 6.083 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.181 -7.149 2.691 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 12.095 -6.880 4.179 1.00 0.00 H new ATOM 698 N PHE 1 53 4.665 -5.732 0.654 1.00 0.00 N ATOM 699 CA PHE 1 53 3.914 -6.163 -0.520 1.00 0.00 C ATOM 700 C PHE 1 53 3.002 -7.331 -0.180 1.00 0.00 C ATOM 701 O PHE 1 53 3.384 -8.230 0.569 1.00 0.00 O ATOM 702 CB PHE 1 53 4.853 -6.562 -1.661 1.00 0.00 C ATOM 703 CG PHE 1 53 5.501 -5.391 -2.330 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.725 -4.396 -2.891 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.879 -5.283 -2.398 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.306 -3.311 -3.509 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.471 -4.198 -3.016 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.682 -3.209 -3.573 1.00 0.00 C ATOM 0 H PHE 1 53 5.668 -5.910 0.606 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.306 -5.319 -0.846 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.627 -7.223 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.292 -7.131 -2.402 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.649 -4.470 -2.845 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.498 -6.054 -1.964 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.686 -2.540 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.547 -4.123 -3.064 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.140 -2.359 -4.057 1.00 0.00 H new ATOM 718 N LYS 1 54 1.799 -7.322 -0.742 1.00 0.00 N ATOM 719 CA LYS 1 54 0.848 -8.396 -0.498 1.00 0.00 C ATOM 720 C LYS 1 54 1.432 -9.722 -0.968 1.00 0.00 C ATOM 721 O LYS 1 54 1.409 -10.029 -2.159 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.473 -8.115 -1.216 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.494 -7.393 -0.352 1.00 0.00 C ATOM 724 CD LYS 1 54 -1.868 -8.213 0.873 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.084 -7.636 1.579 1.00 0.00 C ATOM 726 NZ LYS 1 54 -4.335 -8.354 1.209 1.00 0.00 N ATOM 0 H LYS 1 54 1.462 -6.588 -1.365 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.652 -8.454 0.573 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.274 -7.516 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.900 -9.059 -1.556 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.090 -6.431 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -2.388 -7.187 -0.940 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.073 -9.241 0.575 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -1.025 -8.243 1.563 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -2.938 -7.693 2.658 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -3.183 -6.580 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -5.113 -8.034 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.570 -8.152 0.216 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.197 -9.378 1.331 1.00 0.00 H new ATOM 740 N LYS 1 55 1.969 -10.493 -0.020 1.00 0.00 N ATOM 741 CA LYS 1 55 2.583 -11.789 -0.316 1.00 0.00 C ATOM 742 C LYS 1 55 1.946 -12.456 -1.531 1.00 0.00 C ATOM 743 O LYS 1 55 0.724 -12.610 -1.599 1.00 0.00 O ATOM 744 CB LYS 1 55 2.473 -12.713 0.899 1.00 0.00 C ATOM 745 CG LYS 1 55 3.233 -14.019 0.741 1.00 0.00 C ATOM 746 CD LYS 1 55 3.168 -14.858 2.006 1.00 0.00 C ATOM 747 CE LYS 1 55 4.328 -14.549 2.939 1.00 0.00 C ATOM 748 NZ LYS 1 55 3.946 -13.572 3.996 1.00 0.00 N ATOM 0 H LYS 1 55 1.991 -10.239 0.968 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.633 -11.609 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 2.847 -12.189 1.779 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.422 -12.934 1.083 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 2.818 -14.584 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.274 -13.808 0.496 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 2.226 -14.670 2.521 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 3.182 -15.916 1.744 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 4.674 -15.471 3.405 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.162 -14.151 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 4.707 -12.873 4.114 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 3.069 -13.086 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 3.795 -14.074 4.894 1.00 0.00 H new ATOM 762 N ALA 1 56 2.785 -12.844 -2.491 1.00 0.00 N ATOM 763 CA ALA 1 56 2.309 -13.492 -3.709 1.00 0.00 C ATOM 764 C ALA 1 56 1.210 -14.496 -3.396 1.00 0.00 C ATOM 765 O ALA 1 56 1.371 -15.361 -2.535 1.00 0.00 O ATOM 766 CB ALA 1 56 3.451 -14.180 -4.434 1.00 0.00 C ATOM 0 H ALA 1 56 3.797 -12.720 -2.447 1.00 0.00 H new ATOM 0 HA ALA 1 56 1.898 -12.719 -4.359 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.073 -14.656 -5.339 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.209 -13.443 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 3.892 -14.935 -3.784 1.00 0.00 H new ATOM 772 N GLY 1 57 0.088 -14.360 -4.082 1.00 0.00 N ATOM 773 CA GLY 1 57 -1.031 -15.250 -3.844 1.00 0.00 C ATOM 774 C GLY 1 57 -2.236 -14.506 -3.310 1.00 0.00 C ATOM 775 O GLY 1 57 -3.338 -15.050 -3.255 1.00 0.00 O ATOM 0 H GLY 1 57 -0.070 -13.651 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.298 -15.755 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.737 -16.023 -3.134 1.00 0.00 H new ATOM 779 N THR 1 58 -2.028 -13.248 -2.930 1.00 0.00 N ATOM 780 CA THR 1 58 -3.104 -12.413 -2.418 1.00 0.00 C ATOM 781 C THR 1 58 -3.950 -11.886 -3.575 1.00 0.00 C ATOM 782 O THR 1 58 -3.521 -10.996 -4.309 1.00 0.00 O ATOM 783 CB THR 1 58 -2.518 -11.246 -1.616 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.890 -11.716 -0.436 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.546 -10.216 -1.206 1.00 0.00 C ATOM 0 H THR 1 58 -1.120 -12.786 -2.968 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.739 -13.009 -1.762 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.803 -10.770 -2.287 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -1.003 -12.070 -0.656 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -3.059 -9.420 -0.642 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -4.015 -9.796 -2.096 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -4.306 -10.688 -0.584 1.00 0.00 H new ATOM 793 N VAL 1 59 -5.148 -12.441 -3.742 1.00 0.00 N ATOM 794 CA VAL 1 59 -6.028 -12.017 -4.822 1.00 0.00 C ATOM 795 C VAL 1 59 -6.436 -10.560 -4.662 1.00 0.00 C ATOM 796 O VAL 1 59 -6.996 -10.164 -3.640 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.303 -12.885 -4.916 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -8.123 -12.777 -3.639 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -8.135 -12.485 -6.129 1.00 0.00 C ATOM 0 H VAL 1 59 -5.527 -13.179 -3.148 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.456 -12.140 -5.742 1.00 0.00 H new ATOM 0 HB VAL 1 59 -7.001 -13.925 -5.037 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -9.016 -13.396 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.526 -13.119 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.415 -11.739 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.029 -13.107 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.426 -11.438 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.546 -12.623 -7.036 1.00 0.00 H new ATOM 809 N CYS 1 60 -6.153 -9.775 -5.687 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.484 -8.358 -5.691 1.00 0.00 C ATOM 811 C CYS 1 60 -7.624 -8.083 -6.673 1.00 0.00 C ATOM 812 O CYS 1 60 -8.392 -7.136 -6.501 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.234 -7.550 -6.056 1.00 0.00 C ATOM 814 SG CYS 1 60 -5.552 -5.968 -6.901 1.00 0.00 S ATOM 0 H CYS 1 60 -5.690 -10.098 -6.536 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.821 -8.056 -4.699 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.671 -7.350 -5.144 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -4.598 -8.163 -6.695 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.722 -8.920 -7.703 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.762 -8.772 -8.721 1.00 0.00 C ATOM 821 C ARG 1 61 -9.094 -10.105 -9.381 1.00 0.00 C ATOM 822 O ARG 1 61 -8.550 -11.151 -9.027 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.346 -7.770 -9.803 1.00 0.00 C ATOM 824 CG ARG 1 61 -7.361 -6.723 -9.327 1.00 0.00 C ATOM 825 CD ARG 1 61 -7.117 -5.655 -10.381 1.00 0.00 C ATOM 826 NE ARG 1 61 -6.058 -6.036 -11.315 1.00 0.00 N ATOM 827 CZ ARG 1 61 -5.254 -5.168 -11.925 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.388 -3.863 -11.718 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -4.315 -5.607 -12.753 1.00 0.00 N ATOM 0 H ARG 1 61 -7.094 -9.709 -7.856 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.648 -8.399 -8.207 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.906 -8.315 -10.638 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -9.237 -7.270 -10.182 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -7.739 -6.256 -8.417 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -6.416 -7.203 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -8.039 -5.474 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -6.849 -4.718 -9.892 1.00 0.00 H new ATOM 0 HE ARG 1 61 -5.927 -7.028 -11.511 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -6.112 -3.518 -11.087 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -4.767 -3.205 -12.190 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.210 -6.608 -12.921 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -3.698 -4.944 -13.222 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.984 -10.038 -10.359 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.405 -11.205 -11.116 1.00 0.00 C ATOM 845 C ILE 1 62 -11.295 -10.771 -12.268 1.00 0.00 C ATOM 846 O ILE 1 62 -12.203 -9.958 -12.094 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.161 -12.224 -10.243 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.759 -13.348 -11.099 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.252 -11.524 -9.461 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.739 -14.098 -11.927 1.00 0.00 C ATOM 0 H ILE 1 62 -10.435 -9.171 -10.650 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.506 -11.693 -11.492 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.452 -12.672 -9.547 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.273 -14.054 -10.446 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.511 -12.924 -11.764 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.782 -12.251 -8.846 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.809 -10.762 -8.821 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.952 -11.055 -10.153 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.239 -14.876 -12.504 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.242 -13.406 -12.606 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.000 -14.554 -11.268 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.021 -11.304 -13.443 1.00 0.00 N ATOM 863 CA ALA 1 63 -11.791 -10.956 -14.628 1.00 0.00 C ATOM 864 C ALA 1 63 -13.289 -11.200 -14.405 1.00 0.00 C ATOM 865 O ALA 1 63 -13.974 -10.351 -13.835 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.263 -11.701 -15.847 1.00 0.00 C ATOM 0 H ALA 1 63 -10.273 -11.978 -13.605 1.00 0.00 H new ATOM 0 HA ALA 1 63 -11.670 -9.890 -14.819 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -11.851 -11.428 -16.723 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.219 -11.434 -16.013 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.340 -12.775 -15.679 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.799 -12.351 -14.839 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.215 -12.664 -14.656 1.00 0.00 C ATOM 874 C ARG 1 64 -15.421 -14.141 -14.335 1.00 0.00 C ATOM 875 O ARG 1 64 -15.678 -14.947 -15.227 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.005 -12.290 -15.912 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.395 -11.751 -15.617 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.339 -10.328 -15.086 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.424 -10.051 -14.147 1.00 0.00 N ATOM 880 CZ ARG 1 64 -18.797 -8.825 -13.786 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -18.177 -7.762 -14.282 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -19.793 -8.662 -12.926 1.00 0.00 N ATOM 0 H ARG 1 64 -13.260 -13.075 -15.315 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.579 -12.079 -13.812 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.446 -11.542 -16.474 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -16.093 -13.169 -16.551 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -17.997 -11.778 -16.525 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.888 -12.394 -14.888 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -16.381 -10.163 -14.592 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.393 -9.628 -15.919 1.00 0.00 H new ATOM 0 HE ARG 1 64 -18.925 -10.843 -13.745 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -17.410 -7.882 -14.944 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -18.467 -6.825 -14.002 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -20.273 -9.476 -12.541 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -20.079 -7.723 -12.649 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.323 -14.494 -13.060 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.509 -15.876 -12.665 1.00 0.00 C ATOM 898 C GLY 1 65 -14.342 -16.405 -11.863 1.00 0.00 C ATOM 899 O GLY 1 65 -14.190 -16.081 -10.685 1.00 0.00 O ATOM 0 H GLY 1 65 -15.119 -13.851 -12.295 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.422 -15.963 -12.075 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.644 -16.491 -13.555 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.511 -17.217 -12.505 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.343 -17.788 -11.845 1.00 0.00 C ATOM 905 C ASP 1 66 -11.564 -18.703 -12.784 1.00 0.00 C ATOM 906 O ASP 1 66 -11.823 -19.904 -12.861 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.758 -18.558 -10.589 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.808 -18.327 -9.430 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -10.808 -19.067 -9.325 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.065 -17.404 -8.628 1.00 0.00 O ATOM 0 H ASP 1 66 -13.624 -17.495 -13.480 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.692 -16.963 -11.558 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -13.764 -18.256 -10.297 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.798 -19.623 -10.816 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.602 -18.120 -13.487 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.761 -18.864 -14.420 1.00 0.00 C ATOM 917 C TRP 1 67 -8.303 -18.751 -14.007 1.00 0.00 C ATOM 918 O TRP 1 67 -7.682 -19.717 -13.565 1.00 0.00 O ATOM 919 CB TRP 1 67 -9.932 -18.328 -15.847 1.00 0.00 C ATOM 920 CG TRP 1 67 -10.779 -17.093 -15.931 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.479 -15.845 -15.456 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.072 -16.993 -16.526 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.511 -14.985 -15.717 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.499 -15.664 -16.376 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -12.910 -17.902 -17.172 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -13.725 -15.220 -16.848 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.132 -17.461 -17.643 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.530 -16.129 -17.479 1.00 0.00 C ATOM 0 H TRP 1 67 -10.382 -17.126 -13.429 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.066 -19.910 -14.398 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -8.949 -18.112 -16.265 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.378 -19.106 -16.467 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.563 -15.578 -14.950 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.539 -13.998 -15.462 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -12.609 -18.931 -17.302 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.034 -14.193 -16.722 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -14.790 -18.155 -18.145 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.491 -15.813 -17.858 1.00 0.00 H new ATOM 939 N ASN 1 68 -7.778 -17.546 -14.152 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.401 -17.245 -13.797 1.00 0.00 C ATOM 941 C ASN 1 68 -6.370 -16.441 -12.504 1.00 0.00 C ATOM 942 O ASN 1 68 -5.463 -16.589 -11.684 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.722 -16.458 -14.923 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.238 -16.845 -16.298 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.435 -16.373 -16.637 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -5.570 -17.558 -17.046 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.295 -16.747 -14.520 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.859 -18.179 -13.651 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -5.884 -15.392 -14.765 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.646 -16.627 -14.882 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -4.657 -17.898 -16.745 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -5.930 -17.809 -17.967 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.385 -15.598 -12.329 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.506 -14.771 -11.136 1.00 0.00 C ATOM 955 C ASP 1 69 -6.335 -13.811 -10.998 1.00 0.00 C ATOM 956 O ASP 1 69 -5.193 -14.158 -11.299 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.590 -15.651 -9.891 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.006 -16.100 -9.591 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.568 -16.870 -10.398 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.553 -15.682 -8.549 1.00 0.00 O ATOM 0 H ASP 1 69 -8.139 -15.471 -13.004 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.419 -14.184 -11.236 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.956 -16.527 -10.026 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.197 -15.102 -9.035 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.624 -12.608 -10.517 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.590 -11.608 -10.315 1.00 0.00 C ATOM 967 C ASP 1 70 -4.921 -11.831 -8.974 1.00 0.00 C ATOM 968 O ASP 1 70 -5.592 -11.939 -7.948 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.179 -10.197 -10.385 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.114 -9.124 -10.499 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.319 -8.974 -9.548 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.076 -8.433 -11.538 1.00 0.00 O ATOM 0 H ASP 1 70 -7.564 -12.304 -10.261 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.848 -11.706 -11.108 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.850 -10.130 -11.241 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.780 -10.014 -9.494 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.599 -11.931 -8.982 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.873 -12.180 -7.752 1.00 0.00 C ATOM 979 C TYR 1 71 -1.629 -11.331 -7.614 1.00 0.00 C ATOM 980 O TYR 1 71 -0.942 -11.031 -8.589 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.498 -13.650 -7.671 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.633 -14.497 -7.180 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.984 -14.486 -5.845 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.362 -15.287 -8.051 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -5.032 -15.245 -5.378 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.415 -16.050 -7.600 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.749 -16.029 -6.260 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.800 -16.790 -5.802 1.00 0.00 O ATOM 0 H TYR 1 71 -3.017 -11.845 -9.815 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.536 -11.907 -6.931 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.186 -13.999 -8.656 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.643 -13.769 -7.005 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.426 -13.871 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -4.101 -15.305 -9.099 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.292 -15.228 -4.330 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.977 -16.662 -8.290 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.199 -17.281 -6.550 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.342 -10.974 -6.372 1.00 0.00 N ATOM 999 CA CYS 1 72 -0.175 -10.183 -6.047 1.00 0.00 C ATOM 1000 C CYS 1 72 1.082 -11.032 -6.189 1.00 0.00 C ATOM 1001 O CYS 1 72 0.999 -12.254 -6.314 1.00 0.00 O ATOM 1002 CB CYS 1 72 -0.307 -9.649 -4.624 1.00 0.00 C ATOM 1003 SG CYS 1 72 -1.145 -8.037 -4.521 1.00 0.00 S ATOM 0 H CYS 1 72 -1.913 -11.226 -5.565 1.00 0.00 H new ATOM 0 HA CYS 1 72 -0.099 -9.340 -6.734 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.857 -10.373 -4.023 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.687 -9.560 -4.185 1.00 0.00 H new ATOM 1008 N THR 1 73 2.242 -10.388 -6.180 1.00 0.00 N ATOM 1009 CA THR 1 73 3.504 -11.105 -6.320 1.00 0.00 C ATOM 1010 C THR 1 73 4.436 -10.848 -5.136 1.00 0.00 C ATOM 1011 O THR 1 73 5.559 -11.351 -5.104 1.00 0.00 O ATOM 1012 CB THR 1 73 4.187 -10.704 -7.628 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.757 -9.411 -7.521 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.242 -10.695 -8.813 1.00 0.00 C ATOM 0 H THR 1 73 2.336 -9.377 -6.078 1.00 0.00 H new ATOM 0 HA THR 1 73 3.283 -12.172 -6.338 1.00 0.00 H new ATOM 0 HB THR 1 73 4.955 -11.458 -7.799 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.191 -9.174 -8.367 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.787 -10.403 -9.711 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.823 -11.692 -8.952 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.436 -9.984 -8.630 1.00 0.00 H new ATOM 1022 N GLY 1 74 3.968 -10.068 -4.164 1.00 0.00 N ATOM 1023 CA GLY 1 74 4.781 -9.770 -2.998 1.00 0.00 C ATOM 1024 C GLY 1 74 6.113 -9.139 -3.357 1.00 0.00 C ATOM 1025 O GLY 1 74 7.048 -9.150 -2.556 1.00 0.00 O ATOM 0 H GLY 1 74 3.043 -9.638 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.231 -9.098 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 4.958 -10.689 -2.439 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.200 -8.587 -4.563 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.426 -7.948 -5.026 1.00 0.00 C ATOM 1031 C LYS 1 75 7.150 -6.521 -5.488 1.00 0.00 C ATOM 1032 O LYS 1 75 7.976 -5.627 -5.303 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.047 -8.755 -6.168 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.378 -10.189 -5.789 1.00 0.00 C ATOM 1035 CD LYS 1 75 9.626 -10.680 -6.505 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.317 -11.113 -7.929 1.00 0.00 C ATOM 1037 NZ LYS 1 75 10.482 -10.915 -8.836 1.00 0.00 N ATOM 0 H LYS 1 75 5.435 -8.570 -5.238 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.128 -7.914 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.359 -8.761 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 8.957 -8.257 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 8.525 -10.257 -4.711 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 7.536 -10.836 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.374 -9.888 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.057 -11.516 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 9.028 -12.164 -7.934 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 8.465 -10.546 -8.304 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 10.230 -11.222 -9.797 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 10.743 -9.908 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 11.288 -11.476 -8.493 1.00 0.00 H new ATOM 1051 N SER 1 76 5.982 -6.314 -6.088 1.00 0.00 N ATOM 1052 CA SER 1 76 5.595 -4.996 -6.574 1.00 0.00 C ATOM 1053 C SER 1 76 4.254 -4.573 -5.983 1.00 0.00 C ATOM 1054 O SER 1 76 3.554 -5.376 -5.367 1.00 0.00 O ATOM 1055 CB SER 1 76 5.515 -4.996 -8.102 1.00 0.00 C ATOM 1056 OG SER 1 76 4.895 -3.815 -8.580 1.00 0.00 O ATOM 0 H SER 1 76 5.287 -7.043 -6.249 1.00 0.00 H new ATOM 0 HA SER 1 76 6.354 -4.281 -6.257 1.00 0.00 H new ATOM 0 HB2 SER 1 76 6.517 -5.080 -8.522 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.954 -5.867 -8.440 1.00 0.00 H new ATOM 0 HG SER 1 76 4.858 -3.838 -9.559 1.00 0.00 H new ATOM 1062 N SER 1 77 3.906 -3.306 -6.175 1.00 0.00 N ATOM 1063 CA SER 1 77 2.649 -2.768 -5.664 1.00 0.00 C ATOM 1064 C SER 1 77 1.505 -2.995 -6.648 1.00 0.00 C ATOM 1065 O SER 1 77 0.405 -2.471 -6.461 1.00 0.00 O ATOM 1066 CB SER 1 77 2.797 -1.271 -5.389 1.00 0.00 C ATOM 1067 OG SER 1 77 3.243 -0.582 -6.545 1.00 0.00 O ATOM 0 H SER 1 77 4.477 -2.630 -6.682 1.00 0.00 H new ATOM 0 HA SER 1 77 2.412 -3.292 -4.738 1.00 0.00 H new ATOM 0 HB2 SER 1 77 1.841 -0.861 -5.064 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.504 -1.116 -4.574 1.00 0.00 H new ATOM 0 HG SER 1 77 3.328 0.373 -6.344 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.766 -3.772 -7.696 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.752 -4.051 -8.706 1.00 0.00 C ATOM 1075 C ASP 1 78 0.257 -5.489 -8.608 1.00 0.00 C ATOM 1076 O ASP 1 78 1.016 -6.399 -8.275 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.307 -3.784 -10.106 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.173 -2.330 -10.513 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.082 -1.756 -10.314 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.159 -1.765 -11.031 1.00 0.00 O ATOM 0 H ASP 1 78 2.668 -4.217 -7.867 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.092 -3.386 -8.524 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.358 -4.072 -10.138 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.782 -4.410 -10.827 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.025 -5.679 -8.895 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.642 -6.997 -8.832 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.090 -7.473 -10.224 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.150 -7.086 -10.715 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.830 -6.946 -7.866 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.253 -5.973 -8.463 1.00 0.00 S ATOM 0 H CYS 1 79 -1.660 -4.932 -9.175 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.907 -7.715 -8.469 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.162 -7.965 -7.665 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -2.493 -6.528 -6.918 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.278 -8.319 -10.888 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.597 -8.838 -12.230 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.794 -9.790 -12.229 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.973 -10.575 -11.298 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.323 -9.587 -12.631 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.325 -9.953 -11.341 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.014 -8.829 -10.394 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.877 -8.037 -12.915 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.554 -10.473 -13.223 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.330 -8.960 -13.238 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.061 -10.900 -10.964 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.401 -10.074 -11.464 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.059 -9.179 -9.364 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.785 -8.059 -10.416 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.608 -9.718 -13.286 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.791 -10.581 -13.410 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.397 -12.026 -13.667 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.193 -12.943 -13.464 1.00 0.00 O ATOM 1113 CB TRP 1 81 -5.718 -10.131 -14.548 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.478 -8.743 -15.049 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -4.565 -8.344 -15.984 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -6.183 -7.575 -14.650 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -4.662 -6.987 -16.182 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -5.652 -6.494 -15.372 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -7.214 -7.346 -13.746 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -6.125 -5.196 -15.217 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -7.687 -6.058 -13.589 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -7.143 -4.995 -14.323 1.00 0.00 C ATOM 0 H TRP 1 81 -3.472 -9.075 -14.066 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.320 -10.500 -12.461 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -5.609 -10.825 -15.381 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.750 -10.204 -14.205 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -3.871 -8.997 -16.492 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -4.092 -6.438 -16.825 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -7.637 -8.160 -13.177 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -5.705 -4.376 -15.781 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -8.488 -5.867 -12.890 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -7.534 -3.998 -14.181 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.180 -12.214 -14.150 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.675 -13.542 -14.482 1.00 0.00 C ATOM 1135 C ASN 1 82 -3.247 -13.988 -15.825 1.00 0.00 C ATOM 1136 O ASN 1 82 -3.396 -15.181 -16.088 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.042 -14.556 -13.394 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.151 -15.783 -13.421 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.463 -16.038 -12.314 1.00 0.00 O flip ATOM 1140 ND2 ASN 1 82 -2.083 -16.493 -14.424 1.00 0.00 N flip ATOM 0 H ASN 1 82 -2.516 -11.459 -14.323 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.588 -13.492 -14.548 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.968 -14.079 -12.417 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.080 -14.862 -13.522 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.630 -16.259 -15.253 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.480 -17.316 -14.427 1.00 0.00 H new ATOM 1147 N HIS 1 83 -3.576 -13.009 -16.666 1.00 0.00 N ATOM 1148 CA HIS 1 83 -4.145 -13.275 -17.981 1.00 0.00 C ATOM 1149 C HIS 1 83 -3.084 -13.155 -19.071 1.00 0.00 C ATOM 1150 O HIS 1 83 -2.020 -12.563 -18.797 1.00 0.00 O ATOM 1151 CB HIS 1 83 -5.293 -12.300 -18.254 1.00 0.00 C ATOM 1152 CG HIS 1 83 -6.380 -12.372 -17.229 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -6.758 -13.384 -16.415 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -7.216 -11.316 -16.937 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -7.802 -12.926 -15.652 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -8.059 -11.676 -15.984 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -3.327 -13.656 -20.189 1.00 0.00 O ATOM 0 H HIS 1 83 -3.456 -12.018 -16.455 1.00 0.00 H new ATOM 0 HA HIS 1 83 -4.527 -14.296 -17.992 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -4.899 -11.284 -18.286 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -5.714 -12.510 -19.237 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -6.344 -14.315 -16.376 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.187 -10.347 -17.412 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.328 -13.497 -14.901 1.00 0.00 H new