USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 533 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= -0.915 F(o=-8.5,f=-6.3) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -5.42! C(o=-11!,f=-6.3!) USER MOD Set 2.1: 1 37 THR OG1 : rot -155:sc= 1.11 USER MOD Set 2.2: 1 40 SER OG : rot 142:sc= 1.2 USER MOD Single : 1 7 ASN : amide:sc= -2.23 X(o=-2.2,f=-2.2) USER MOD Single : 1 8 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0936) USER MOD Single : 1 12 GLN : amide:sc= -4.48 K(o=-4.5,f=-7.5!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc=-0.00726 X(o=-0.0073,f=-0.44) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : 1 30 ASN :FLIP amide:sc= -2.23! C(o=-4!,f=-2.2!) USER MOD Single : 1 33 THR OG1 : rot -33:sc= 0.0845 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -2.65 K(o=-2.7,f=-7!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 155:sc= -0.365 (180deg=-1.83!) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 78:sc= 0.655 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+ -162:sc= -0.0878 (180deg=-0.441) USER MOD Single : 1 76 SER OG : rot -41:sc= 0.412 USER MOD Single : 1 77 SER OG : rot -77:sc= 0.303! USER MOD Single : 1 82 ASN : amide:sc= -1.19 K(o=-1.2,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 16.931 2.021 -7.323 1.00 0.00 N ATOM 29 CA PRO 1 3 16.022 2.990 -6.714 1.00 0.00 C ATOM 30 C PRO 1 3 16.040 4.323 -7.452 1.00 0.00 C ATOM 31 O PRO 1 3 16.941 5.139 -7.254 1.00 0.00 O ATOM 32 CB PRO 1 3 16.566 3.158 -5.283 1.00 0.00 C ATOM 33 CG PRO 1 3 17.678 2.166 -5.147 1.00 0.00 C ATOM 34 CD PRO 1 3 18.158 1.884 -6.538 1.00 0.00 C ATOM 0 HA PRO 1 3 14.986 2.653 -6.744 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 16.926 4.174 -5.119 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 15.786 2.974 -4.545 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 18.483 2.566 -4.531 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 17.329 1.254 -4.663 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 18.925 2.591 -6.855 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 18.588 0.886 -6.626 1.00 0.00 H new ATOM 42 N VAL 1 4 15.047 4.538 -8.310 1.00 0.00 N ATOM 43 CA VAL 1 4 14.964 5.773 -9.081 1.00 0.00 C ATOM 44 C VAL 1 4 13.675 6.537 -8.797 1.00 0.00 C ATOM 45 O VAL 1 4 12.584 6.084 -9.143 1.00 0.00 O ATOM 46 CB VAL 1 4 15.062 5.496 -10.595 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.498 5.649 -11.072 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.531 4.108 -10.924 1.00 0.00 C ATOM 0 H VAL 1 4 14.292 3.876 -8.488 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.810 6.386 -8.770 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.446 6.227 -11.118 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.549 5.450 -12.142 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.841 6.665 -10.875 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 17.135 4.942 -10.541 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.609 3.933 -11.997 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 15.116 3.359 -10.391 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.487 4.037 -10.620 1.00 0.00 H new ATOM 58 N CYS 1 5 13.813 7.710 -8.186 1.00 0.00 N ATOM 59 CA CYS 1 5 12.663 8.552 -7.882 1.00 0.00 C ATOM 60 C CYS 1 5 12.272 9.323 -9.135 1.00 0.00 C ATOM 61 O CYS 1 5 12.943 10.279 -9.525 1.00 0.00 O ATOM 62 CB CYS 1 5 12.995 9.514 -6.733 1.00 0.00 C ATOM 63 SG CYS 1 5 11.750 10.816 -6.443 1.00 0.00 S ATOM 0 H CYS 1 5 14.709 8.098 -7.892 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.825 7.930 -7.565 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 13.116 8.936 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.955 9.988 -6.940 1.00 0.00 H new ATOM 68 N GLY 1 6 11.207 8.873 -9.783 1.00 0.00 N ATOM 69 CA GLY 1 6 10.768 9.495 -11.013 1.00 0.00 C ATOM 70 C GLY 1 6 10.983 8.564 -12.187 1.00 0.00 C ATOM 71 O GLY 1 6 11.207 9.002 -13.316 1.00 0.00 O ATOM 0 H GLY 1 6 10.638 8.084 -9.476 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 9.713 9.757 -10.938 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.316 10.424 -11.173 1.00 0.00 H new ATOM 75 N ASN 1 7 10.917 7.267 -11.902 1.00 0.00 N ATOM 76 CA ASN 1 7 11.104 6.231 -12.905 1.00 0.00 C ATOM 77 C ASN 1 7 9.921 5.271 -12.891 1.00 0.00 C ATOM 78 O ASN 1 7 9.899 4.282 -13.624 1.00 0.00 O ATOM 79 CB ASN 1 7 12.398 5.465 -12.625 1.00 0.00 C ATOM 80 CG ASN 1 7 13.571 5.998 -13.425 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.882 7.188 -13.375 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.229 5.116 -14.169 1.00 0.00 N ATOM 0 H ASN 1 7 10.732 6.907 -10.966 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.170 6.697 -13.888 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.630 5.525 -11.562 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.251 4.411 -12.860 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 15.027 5.416 -14.729 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.936 4.139 -14.180 1.00 0.00 H new ATOM 89 N LYS 1 8 8.943 5.574 -12.040 1.00 0.00 N ATOM 90 CA LYS 1 8 7.748 4.756 -11.898 1.00 0.00 C ATOM 91 C LYS 1 8 8.027 3.521 -11.047 1.00 0.00 C ATOM 92 O LYS 1 8 7.269 2.552 -11.082 1.00 0.00 O ATOM 93 CB LYS 1 8 7.196 4.336 -13.265 1.00 0.00 C ATOM 94 CG LYS 1 8 7.156 5.463 -14.285 1.00 0.00 C ATOM 95 CD LYS 1 8 7.289 4.933 -15.704 1.00 0.00 C ATOM 96 CE LYS 1 8 6.751 5.926 -16.722 1.00 0.00 C ATOM 97 NZ LYS 1 8 7.810 6.855 -17.204 1.00 0.00 N ATOM 0 H LYS 1 8 8.960 6.393 -11.432 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.997 5.364 -11.395 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.807 3.524 -13.659 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.188 3.942 -13.134 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 6.219 6.012 -14.186 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 7.962 6.168 -14.082 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 8.337 4.722 -15.918 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 6.750 3.990 -15.793 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 6.329 5.385 -17.569 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 5.940 6.501 -16.275 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 7.372 7.636 -17.733 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 8.332 7.238 -16.390 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 8.466 6.341 -17.826 1.00 0.00 H new ATOM 111 N ILE 1 9 9.113 3.560 -10.278 1.00 0.00 N ATOM 112 CA ILE 1 9 9.474 2.442 -9.420 1.00 0.00 C ATOM 113 C ILE 1 9 9.557 2.880 -7.967 1.00 0.00 C ATOM 114 O ILE 1 9 10.421 3.677 -7.601 1.00 0.00 O ATOM 115 CB ILE 1 9 10.830 1.808 -9.816 1.00 0.00 C ATOM 116 CG1 ILE 1 9 11.398 2.463 -11.077 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.678 0.308 -10.014 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.710 1.861 -11.528 1.00 0.00 C ATOM 0 H ILE 1 9 9.754 4.352 -10.234 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.689 1.697 -9.547 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.534 1.982 -9.002 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.670 2.374 -11.883 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 11.540 3.528 -10.892 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.640 -0.122 -10.292 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.331 -0.148 -9.087 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.953 0.117 -10.805 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 13.055 2.373 -12.426 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 13.453 1.974 -10.738 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 12.569 0.802 -11.745 1.00 0.00 H new ATOM 130 N LEU 1 10 8.674 2.342 -7.138 1.00 0.00 N ATOM 131 CA LEU 1 10 8.678 2.668 -5.719 1.00 0.00 C ATOM 132 C LEU 1 10 9.883 2.012 -5.061 1.00 0.00 C ATOM 133 O LEU 1 10 9.742 1.124 -4.220 1.00 0.00 O ATOM 134 CB LEU 1 10 7.385 2.196 -5.046 1.00 0.00 C ATOM 135 CG LEU 1 10 6.148 2.175 -5.947 1.00 0.00 C ATOM 136 CD1 LEU 1 10 5.964 0.799 -6.570 1.00 0.00 C ATOM 137 CD2 LEU 1 10 4.909 2.577 -5.160 1.00 0.00 C ATOM 0 H LEU 1 10 7.950 1.682 -7.421 1.00 0.00 H new ATOM 0 HA LEU 1 10 8.739 3.750 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.545 1.192 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 7.182 2.843 -4.193 1.00 0.00 H new ATOM 0 HG LEU 1 10 6.294 2.897 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 5.080 0.803 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 6.841 0.550 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 5.840 0.056 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.039 2.557 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 4.759 1.879 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.041 3.584 -4.763 1.00 0.00 H new ATOM 149 N GLU 1 11 11.072 2.442 -5.471 1.00 0.00 N ATOM 150 CA GLU 1 11 12.307 1.883 -4.944 1.00 0.00 C ATOM 151 C GLU 1 11 13.188 2.965 -4.329 1.00 0.00 C ATOM 152 O GLU 1 11 13.746 2.776 -3.249 1.00 0.00 O ATOM 153 CB GLU 1 11 13.061 1.149 -6.051 1.00 0.00 C ATOM 154 CG GLU 1 11 14.308 0.433 -5.563 1.00 0.00 C ATOM 155 CD GLU 1 11 14.892 -0.499 -6.607 1.00 0.00 C ATOM 156 OE1 GLU 1 11 14.108 -1.088 -7.381 1.00 0.00 O ATOM 157 OE2 GLU 1 11 16.132 -0.639 -6.651 1.00 0.00 O ATOM 0 H GLU 1 11 11.204 3.176 -6.167 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.051 1.176 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 12.393 0.423 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 13.341 1.864 -6.824 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 15.059 1.171 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 14.067 -0.138 -4.666 1.00 0.00 H new ATOM 164 N GLN 1 12 13.314 4.096 -5.019 1.00 0.00 N ATOM 165 CA GLN 1 12 14.135 5.200 -4.523 1.00 0.00 C ATOM 166 C GLN 1 12 13.529 5.833 -3.269 1.00 0.00 C ATOM 167 O GLN 1 12 13.147 7.004 -3.279 1.00 0.00 O ATOM 168 CB GLN 1 12 14.308 6.259 -5.610 1.00 0.00 C ATOM 169 CG GLN 1 12 15.570 7.091 -5.454 1.00 0.00 C ATOM 170 CD GLN 1 12 15.385 8.262 -4.508 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.107 9.382 -4.936 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.539 8.007 -3.214 1.00 0.00 N ATOM 0 H GLN 1 12 12.862 4.273 -5.916 1.00 0.00 H new ATOM 0 HA GLN 1 12 15.110 4.793 -4.256 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.324 5.769 -6.584 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.443 6.922 -5.601 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 16.376 6.456 -5.086 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.878 7.463 -6.431 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.769 7.063 -2.904 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 15.427 8.755 -2.530 1.00 0.00 H new ATOM 181 N GLY 1 13 13.457 5.051 -2.188 1.00 0.00 N ATOM 182 CA GLY 1 13 12.910 5.539 -0.926 1.00 0.00 C ATOM 183 C GLY 1 13 11.751 6.503 -1.104 1.00 0.00 C ATOM 184 O GLY 1 13 11.597 7.449 -0.331 1.00 0.00 O ATOM 0 H GLY 1 13 13.771 4.081 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 12.578 4.689 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 13.701 6.034 -0.363 1.00 0.00 H new ATOM 188 N GLU 1 14 10.940 6.266 -2.127 1.00 0.00 N ATOM 189 CA GLU 1 14 9.795 7.124 -2.407 1.00 0.00 C ATOM 190 C GLU 1 14 8.507 6.542 -1.825 1.00 0.00 C ATOM 191 O GLU 1 14 7.737 7.244 -1.170 1.00 0.00 O ATOM 192 CB GLU 1 14 9.648 7.360 -3.918 1.00 0.00 C ATOM 193 CG GLU 1 14 9.396 6.100 -4.738 1.00 0.00 C ATOM 194 CD GLU 1 14 10.642 5.259 -4.922 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.984 4.499 -3.993 1.00 0.00 O ATOM 196 OE2 GLU 1 14 11.276 5.362 -5.993 1.00 0.00 O ATOM 0 H GLU 1 14 11.053 5.488 -2.776 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.975 8.084 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.826 8.056 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 10.554 7.842 -4.286 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 8.628 5.501 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 9.005 6.381 -5.716 1.00 0.00 H new ATOM 203 N ASP 1 15 8.278 5.258 -2.071 1.00 0.00 N ATOM 204 CA ASP 1 15 7.082 4.579 -1.575 1.00 0.00 C ATOM 205 C ASP 1 15 5.817 5.120 -2.246 1.00 0.00 C ATOM 206 O ASP 1 15 4.703 4.833 -1.807 1.00 0.00 O ATOM 207 CB ASP 1 15 6.974 4.730 -0.055 1.00 0.00 C ATOM 208 CG ASP 1 15 7.382 3.468 0.681 1.00 0.00 C ATOM 209 OD1 ASP 1 15 8.588 3.144 0.679 1.00 0.00 O ATOM 210 OD2 ASP 1 15 6.496 2.805 1.259 1.00 0.00 O ATOM 0 H ASP 1 15 8.905 4.663 -2.612 1.00 0.00 H new ATOM 0 HA ASP 1 15 7.173 3.522 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 7.604 5.557 0.271 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.948 4.987 0.210 1.00 0.00 H new ATOM 215 N CYS 1 16 5.995 5.900 -3.312 1.00 0.00 N ATOM 216 CA CYS 1 16 4.872 6.478 -4.046 1.00 0.00 C ATOM 217 C CYS 1 16 5.369 7.499 -5.063 1.00 0.00 C ATOM 218 O CYS 1 16 5.337 8.703 -4.812 1.00 0.00 O ATOM 219 CB CYS 1 16 3.879 7.141 -3.086 1.00 0.00 C ATOM 220 SG CYS 1 16 2.338 6.202 -2.833 1.00 0.00 S ATOM 0 H CYS 1 16 6.911 6.146 -3.687 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.362 5.671 -4.573 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 4.365 7.285 -2.121 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.629 8.131 -3.467 1.00 0.00 H new ATOM 225 N ASP 1 17 5.839 7.012 -6.206 1.00 0.00 N ATOM 226 CA ASP 1 17 6.354 7.892 -7.247 1.00 0.00 C ATOM 227 C ASP 1 17 5.629 7.693 -8.573 1.00 0.00 C ATOM 228 O ASP 1 17 4.991 6.666 -8.806 1.00 0.00 O ATOM 229 CB ASP 1 17 7.852 7.651 -7.438 1.00 0.00 C ATOM 230 CG ASP 1 17 8.439 8.465 -8.576 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.471 9.708 -8.463 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.862 7.857 -9.582 1.00 0.00 O ATOM 0 H ASP 1 17 5.874 6.018 -6.434 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.181 8.919 -6.924 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.375 7.897 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 8.023 6.592 -7.629 1.00 0.00 H new ATOM 237 N CYS 1 18 5.756 8.690 -9.440 1.00 0.00 N ATOM 238 CA CYS 1 18 5.145 8.658 -10.761 1.00 0.00 C ATOM 239 C CYS 1 18 6.173 9.051 -11.819 1.00 0.00 C ATOM 240 O CYS 1 18 6.815 10.095 -11.710 1.00 0.00 O ATOM 241 CB CYS 1 18 3.956 9.619 -10.826 1.00 0.00 C ATOM 242 SG CYS 1 18 2.430 8.994 -10.054 1.00 0.00 S ATOM 0 H CYS 1 18 6.284 9.541 -9.247 1.00 0.00 H new ATOM 0 HA CYS 1 18 4.792 7.645 -10.953 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 4.235 10.555 -10.341 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 3.750 9.850 -11.871 1.00 0.00 H new ATOM 247 N GLY 1 19 6.330 8.214 -12.839 1.00 0.00 N ATOM 248 CA GLY 1 19 7.285 8.501 -13.900 1.00 0.00 C ATOM 249 C GLY 1 19 7.306 9.968 -14.293 1.00 0.00 C ATOM 250 O GLY 1 19 8.373 10.560 -14.455 1.00 0.00 O ATOM 0 H GLY 1 19 5.814 7.341 -12.952 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.282 8.202 -13.576 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.041 7.899 -14.775 1.00 0.00 H new ATOM 254 N SER 1 20 6.122 10.555 -14.438 1.00 0.00 N ATOM 255 CA SER 1 20 6.005 11.962 -14.805 1.00 0.00 C ATOM 256 C SER 1 20 4.894 12.643 -14.003 1.00 0.00 C ATOM 257 O SER 1 20 3.730 12.259 -14.101 1.00 0.00 O ATOM 258 CB SER 1 20 5.722 12.097 -16.302 1.00 0.00 C ATOM 259 OG SER 1 20 6.646 11.341 -17.066 1.00 0.00 O ATOM 0 H SER 1 20 5.230 10.078 -14.307 1.00 0.00 H new ATOM 0 HA SER 1 20 6.951 12.453 -14.574 1.00 0.00 H new ATOM 0 HB2 SER 1 20 4.707 11.760 -16.515 1.00 0.00 H new ATOM 0 HB3 SER 1 20 5.777 13.146 -16.593 1.00 0.00 H new ATOM 0 HG SER 1 20 6.443 11.443 -18.019 1.00 0.00 H new ATOM 265 N PRO 1 21 5.233 13.667 -13.194 1.00 0.00 N ATOM 266 CA PRO 1 21 4.248 14.391 -12.384 1.00 0.00 C ATOM 267 C PRO 1 21 2.988 14.744 -13.170 1.00 0.00 C ATOM 268 O PRO 1 21 1.901 14.853 -12.602 1.00 0.00 O ATOM 269 CB PRO 1 21 4.996 15.660 -11.980 1.00 0.00 C ATOM 270 CG PRO 1 21 6.429 15.256 -11.944 1.00 0.00 C ATOM 271 CD PRO 1 21 6.598 14.198 -13.003 1.00 0.00 C ATOM 0 HA PRO 1 21 3.896 13.795 -11.542 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 4.829 16.464 -12.697 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 4.662 16.025 -11.008 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 7.078 16.109 -12.140 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 6.699 14.869 -10.961 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 6.997 14.617 -13.927 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 7.289 13.418 -12.682 1.00 0.00 H new ATOM 279 N ALA 1 22 3.140 14.916 -14.480 1.00 0.00 N ATOM 280 CA ALA 1 22 2.014 15.252 -15.343 1.00 0.00 C ATOM 281 C ALA 1 22 1.257 13.996 -15.756 1.00 0.00 C ATOM 282 O ALA 1 22 0.049 14.032 -15.989 1.00 0.00 O ATOM 283 CB ALA 1 22 2.496 16.009 -16.571 1.00 0.00 C ATOM 0 H ALA 1 22 4.032 14.828 -14.966 1.00 0.00 H new ATOM 0 HA ALA 1 22 1.333 15.893 -14.783 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 1.644 16.253 -17.206 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 2.992 16.929 -16.260 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 3.198 15.389 -17.128 1.00 0.00 H new ATOM 289 N ASN 1 23 1.977 12.882 -15.832 1.00 0.00 N ATOM 290 CA ASN 1 23 1.381 11.606 -16.201 1.00 0.00 C ATOM 291 C ASN 1 23 1.288 10.691 -14.985 1.00 0.00 C ATOM 292 O ASN 1 23 1.203 9.469 -15.115 1.00 0.00 O ATOM 293 CB ASN 1 23 2.201 10.932 -17.303 1.00 0.00 C ATOM 294 CG ASN 1 23 1.342 10.106 -18.241 1.00 0.00 C ATOM 295 OD1 ASN 1 23 0.285 9.606 -17.855 1.00 0.00 O ATOM 296 ND2 ASN 1 23 1.792 9.960 -19.481 1.00 0.00 N ATOM 0 H ASN 1 23 2.978 12.839 -15.642 1.00 0.00 H new ATOM 0 HA ASN 1 23 0.375 11.793 -16.577 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 2.730 11.694 -17.876 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.957 10.292 -16.849 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 1.256 9.416 -20.157 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 2.674 10.392 -19.758 1.00 0.00 H new ATOM 303 N CYS 1 24 1.310 11.296 -13.802 1.00 0.00 N ATOM 304 CA CYS 1 24 1.235 10.555 -12.555 1.00 0.00 C ATOM 305 C CYS 1 24 -0.058 9.761 -12.470 1.00 0.00 C ATOM 306 O CYS 1 24 -1.051 10.225 -11.909 1.00 0.00 O ATOM 307 CB CYS 1 24 1.343 11.509 -11.369 1.00 0.00 C ATOM 308 SG CYS 1 24 1.334 10.678 -9.748 1.00 0.00 S ATOM 0 H CYS 1 24 1.380 12.307 -13.684 1.00 0.00 H new ATOM 0 HA CYS 1 24 2.069 9.853 -12.526 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.261 12.088 -11.464 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 0.515 12.216 -11.408 1.00 0.00 H new ATOM 313 N GLN 1 25 -0.037 8.560 -13.029 1.00 0.00 N ATOM 314 CA GLN 1 25 -1.206 7.687 -13.021 1.00 0.00 C ATOM 315 C GLN 1 25 -1.377 7.002 -11.664 1.00 0.00 C ATOM 316 O GLN 1 25 -1.595 5.792 -11.592 1.00 0.00 O ATOM 317 CB GLN 1 25 -1.088 6.635 -14.126 1.00 0.00 C ATOM 318 CG GLN 1 25 0.084 5.685 -13.939 1.00 0.00 C ATOM 319 CD GLN 1 25 0.458 4.962 -15.218 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.409 4.530 -15.977 1.00 0.00 O ATOM 321 NE2 GLN 1 25 1.756 4.827 -15.463 1.00 0.00 N ATOM 0 H GLN 1 25 0.779 8.165 -13.496 1.00 0.00 H new ATOM 0 HA GLN 1 25 -2.086 8.303 -13.204 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -2.011 6.057 -14.166 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.986 7.139 -15.087 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 0.946 6.245 -13.577 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.166 4.952 -13.172 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.441 5.201 -14.806 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 2.068 4.349 -16.308 1.00 0.00 H new ATOM 330 N ASP 1 26 -1.284 7.783 -10.591 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.434 7.257 -9.241 1.00 0.00 C ATOM 332 C ASP 1 26 -2.071 8.302 -8.330 1.00 0.00 C ATOM 333 O ASP 1 26 -1.387 9.175 -7.796 1.00 0.00 O ATOM 334 CB ASP 1 26 -0.077 6.830 -8.680 1.00 0.00 C ATOM 335 CG ASP 1 26 -0.160 5.545 -7.879 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -0.996 5.477 -6.953 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.610 4.608 -8.176 1.00 0.00 O ATOM 0 H ASP 1 26 -1.105 8.786 -10.633 1.00 0.00 H new ATOM 0 HA ASP 1 26 -2.086 6.384 -9.283 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.627 6.698 -9.501 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.317 7.625 -8.047 1.00 0.00 H new ATOM 342 N ARG 1 27 -3.386 8.212 -8.167 1.00 0.00 N ATOM 343 CA ARG 1 27 -4.122 9.154 -7.331 1.00 0.00 C ATOM 344 C ARG 1 27 -3.661 9.094 -5.877 1.00 0.00 C ATOM 345 O ARG 1 27 -3.919 10.015 -5.101 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.623 8.868 -7.412 1.00 0.00 C ATOM 347 CG ARG 1 27 -6.489 10.046 -6.998 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.936 9.928 -5.550 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.142 10.708 -5.283 1.00 0.00 N ATOM 350 CZ ARG 1 27 -8.681 10.850 -4.075 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -8.126 10.266 -3.020 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -9.779 11.578 -3.920 1.00 0.00 N ATOM 0 H ARG 1 27 -3.966 7.495 -8.603 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.921 10.157 -7.707 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.876 8.583 -8.433 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.857 8.014 -6.776 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.932 10.973 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -7.363 10.102 -7.646 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.122 8.881 -5.312 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -6.133 10.266 -4.894 1.00 0.00 H new ATOM 0 HE ARG 1 27 -8.598 11.171 -6.069 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -7.282 9.705 -3.133 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -8.544 10.378 -2.096 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -10.210 12.029 -4.727 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -10.192 11.687 -2.994 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.986 8.010 -5.506 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.506 7.849 -4.138 1.00 0.00 C ATOM 368 C CYS 1 28 -1.017 8.183 -4.025 1.00 0.00 C ATOM 369 O CYS 1 28 -0.543 8.575 -2.959 1.00 0.00 O ATOM 370 CB CYS 1 28 -2.757 6.422 -3.644 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.367 5.716 -4.136 1.00 0.00 S ATOM 0 H CYS 1 28 -2.760 7.235 -6.129 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.061 8.547 -3.512 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -1.963 5.777 -4.020 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.688 6.411 -2.556 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.283 8.025 -5.125 1.00 0.00 N ATOM 377 CA CYS 1 29 1.152 8.310 -5.132 1.00 0.00 C ATOM 378 C CYS 1 29 1.464 9.557 -5.952 1.00 0.00 C ATOM 379 O CYS 1 29 0.986 9.707 -7.074 1.00 0.00 O ATOM 380 CB CYS 1 29 1.931 7.122 -5.698 1.00 0.00 C ATOM 381 SG CYS 1 29 1.810 5.605 -4.701 1.00 0.00 S ATOM 0 H CYS 1 29 -0.655 7.703 -6.019 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.457 8.486 -4.100 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.569 6.911 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.981 7.401 -5.789 1.00 0.00 H new ATOM 386 N ASN 1 30 2.272 10.448 -5.384 1.00 0.00 N ATOM 387 CA ASN 1 30 2.654 11.681 -6.065 1.00 0.00 C ATOM 388 C ASN 1 30 4.143 11.687 -6.406 1.00 0.00 C ATOM 389 O ASN 1 30 4.990 11.463 -5.535 1.00 0.00 O ATOM 390 CB ASN 1 30 2.315 12.893 -5.197 1.00 0.00 C ATOM 391 CG ASN 1 30 2.105 14.150 -6.017 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.185 14.880 -6.268 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 0.984 14.462 -6.421 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.675 10.339 -4.453 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.090 11.736 -6.996 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.414 12.683 -4.621 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.119 13.060 -4.481 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 0.181 13.871 -6.205 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 0.859 15.311 -6.972 1.00 0.00 H new ATOM 400 N ALA 1 31 4.453 11.954 -7.675 1.00 0.00 N ATOM 401 CA ALA 1 31 5.839 12.004 -8.133 1.00 0.00 C ATOM 402 C ALA 1 31 6.558 13.210 -7.545 1.00 0.00 C ATOM 403 O ALA 1 31 7.693 13.108 -7.079 1.00 0.00 O ATOM 404 CB ALA 1 31 5.890 12.067 -9.651 1.00 0.00 C ATOM 0 H ALA 1 31 3.762 12.139 -8.403 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.341 11.098 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 6.929 12.104 -9.979 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 5.409 11.182 -10.068 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 5.369 12.960 -9.996 1.00 0.00 H new ATOM 410 N ALA 1 32 5.883 14.353 -7.578 1.00 0.00 N ATOM 411 CA ALA 1 32 6.441 15.597 -7.057 1.00 0.00 C ATOM 412 C ALA 1 32 6.959 15.434 -5.630 1.00 0.00 C ATOM 413 O ALA 1 32 7.752 16.247 -5.155 1.00 0.00 O ATOM 414 CB ALA 1 32 5.395 16.699 -7.110 1.00 0.00 C ATOM 0 H ALA 1 32 4.943 14.445 -7.962 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.289 15.869 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 5.820 17.623 -6.719 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 5.080 16.852 -8.142 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 4.534 16.412 -6.507 1.00 0.00 H new ATOM 420 N THR 1 33 6.509 14.385 -4.945 1.00 0.00 N ATOM 421 CA THR 1 33 6.934 14.135 -3.575 1.00 0.00 C ATOM 422 C THR 1 33 7.562 12.755 -3.438 1.00 0.00 C ATOM 423 O THR 1 33 8.186 12.450 -2.421 1.00 0.00 O ATOM 424 CB THR 1 33 5.739 14.246 -2.622 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.179 14.376 -1.282 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.804 13.051 -2.684 1.00 0.00 C ATOM 0 H THR 1 33 5.853 13.698 -5.317 1.00 0.00 H new ATOM 0 HA THR 1 33 7.681 14.885 -3.315 1.00 0.00 H new ATOM 0 HB THR 1 33 5.192 15.130 -2.949 1.00 0.00 H new ATOM 0 HG1 THR 1 33 7.008 13.868 -1.159 1.00 0.00 H new ATOM 0 HG21 THR 1 33 3.981 13.196 -1.984 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.408 12.951 -3.695 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.351 12.147 -2.418 1.00 0.00 H new ATOM 434 N CYS 1 34 7.367 11.907 -4.445 1.00 0.00 N ATOM 435 CA CYS 1 34 7.889 10.554 -4.395 1.00 0.00 C ATOM 436 C CYS 1 34 7.437 9.904 -3.095 1.00 0.00 C ATOM 437 O CYS 1 34 8.226 9.303 -2.371 1.00 0.00 O ATOM 438 CB CYS 1 34 9.419 10.553 -4.503 1.00 0.00 C ATOM 439 SG CYS 1 34 10.054 9.782 -6.028 1.00 0.00 S ATOM 0 H CYS 1 34 6.855 12.135 -5.297 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.504 9.984 -5.241 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.777 11.581 -4.451 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.833 10.028 -3.643 1.00 0.00 H new ATOM 444 N LYS 1 35 6.151 10.064 -2.799 1.00 0.00 N ATOM 445 CA LYS 1 35 5.573 9.525 -1.575 1.00 0.00 C ATOM 446 C LYS 1 35 4.052 9.676 -1.594 1.00 0.00 C ATOM 447 O LYS 1 35 3.508 10.467 -2.364 1.00 0.00 O ATOM 448 CB LYS 1 35 6.195 10.240 -0.359 1.00 0.00 C ATOM 449 CG LYS 1 35 5.245 10.497 0.807 1.00 0.00 C ATOM 450 CD LYS 1 35 5.102 9.269 1.693 1.00 0.00 C ATOM 451 CE LYS 1 35 5.978 9.372 2.932 1.00 0.00 C ATOM 452 NZ LYS 1 35 6.417 8.033 3.414 1.00 0.00 N ATOM 0 H LYS 1 35 5.489 10.564 -3.392 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.795 8.460 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 7.033 9.644 0.002 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.603 11.195 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 5.614 11.334 1.400 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 4.266 10.786 0.423 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 4.060 9.153 1.991 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 5.373 8.377 1.128 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 6.853 9.982 2.708 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 5.428 9.881 3.724 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 7.012 8.146 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 5.583 7.459 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 6.963 7.557 2.668 1.00 0.00 H new ATOM 466 N LEU 1 36 3.375 8.906 -0.742 1.00 0.00 N ATOM 467 CA LEU 1 36 1.916 8.942 -0.653 1.00 0.00 C ATOM 468 C LEU 1 36 1.388 10.374 -0.730 1.00 0.00 C ATOM 469 O LEU 1 36 1.766 11.230 0.070 1.00 0.00 O ATOM 470 CB LEU 1 36 1.453 8.289 0.652 1.00 0.00 C ATOM 471 CG LEU 1 36 1.370 6.760 0.623 1.00 0.00 C ATOM 472 CD1 LEU 1 36 1.902 6.170 1.920 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.062 6.314 0.383 1.00 0.00 C ATOM 0 H LEU 1 36 3.817 8.247 -0.101 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.516 8.386 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 2.135 8.585 1.449 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 0.471 8.685 0.909 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.989 6.396 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 1.835 5.083 1.880 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 2.943 6.464 2.054 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 1.310 6.540 2.757 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.106 5.225 0.365 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -0.699 6.689 1.184 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.410 6.707 -0.572 1.00 0.00 H new ATOM 485 N THR 1 37 0.518 10.627 -1.704 1.00 0.00 N ATOM 486 CA THR 1 37 -0.060 11.954 -1.896 1.00 0.00 C ATOM 487 C THR 1 37 -0.684 12.478 -0.604 1.00 0.00 C ATOM 488 O THR 1 37 -1.078 11.701 0.266 1.00 0.00 O ATOM 489 CB THR 1 37 -1.114 11.918 -3.003 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.256 11.191 -2.584 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.615 11.289 -4.286 1.00 0.00 C ATOM 0 H THR 1 37 0.197 9.928 -2.374 1.00 0.00 H new ATOM 0 HA THR 1 37 0.745 12.630 -2.186 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.360 12.961 -3.201 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.725 10.838 -3.369 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -1.413 11.296 -5.029 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.236 11.856 -4.662 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.308 10.261 -4.092 1.00 0.00 H new ATOM 499 N PRO 1 38 -0.784 13.812 -0.463 1.00 0.00 N ATOM 500 CA PRO 1 38 -1.365 14.440 0.728 1.00 0.00 C ATOM 501 C PRO 1 38 -2.748 13.887 1.054 1.00 0.00 C ATOM 502 O PRO 1 38 -3.685 14.029 0.268 1.00 0.00 O ATOM 503 CB PRO 1 38 -1.457 15.919 0.344 1.00 0.00 C ATOM 504 CG PRO 1 38 -0.408 16.107 -0.696 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.340 14.811 -1.454 1.00 0.00 C ATOM 0 HA PRO 1 38 -0.766 14.256 1.620 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -2.446 16.167 -0.042 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.280 16.563 1.205 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -0.660 16.934 -1.359 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 0.554 16.344 -0.242 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.988 14.823 -2.330 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.670 14.605 -1.808 1.00 0.00 H new ATOM 513 N GLY 1 39 -2.866 13.252 2.215 1.00 0.00 N ATOM 514 CA GLY 1 39 -4.137 12.684 2.622 1.00 0.00 C ATOM 515 C GLY 1 39 -4.315 11.259 2.135 1.00 0.00 C ATOM 516 O GLY 1 39 -5.439 10.767 2.031 1.00 0.00 O ATOM 0 H GLY 1 39 -2.105 13.121 2.881 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -4.210 12.705 3.709 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -4.948 13.301 2.236 1.00 0.00 H new ATOM 520 N SER 1 40 -3.203 10.594 1.837 1.00 0.00 N ATOM 521 CA SER 1 40 -3.239 9.217 1.360 1.00 0.00 C ATOM 522 C SER 1 40 -2.308 8.335 2.184 1.00 0.00 C ATOM 523 O SER 1 40 -1.185 8.727 2.502 1.00 0.00 O ATOM 524 CB SER 1 40 -2.846 9.156 -0.117 1.00 0.00 C ATOM 525 OG SER 1 40 -3.839 9.751 -0.935 1.00 0.00 O ATOM 0 H SER 1 40 -2.265 10.987 1.918 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.257 8.845 1.472 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -1.895 9.667 -0.265 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -2.699 8.118 -0.415 1.00 0.00 H new ATOM 0 HG SER 1 40 -3.409 10.247 -1.663 1.00 0.00 H new ATOM 531 N GLN 1 41 -2.782 7.143 2.528 1.00 0.00 N ATOM 532 CA GLN 1 41 -1.994 6.204 3.319 1.00 0.00 C ATOM 533 C GLN 1 41 -1.635 4.965 2.504 1.00 0.00 C ATOM 534 O GLN 1 41 -0.593 4.348 2.721 1.00 0.00 O ATOM 535 CB GLN 1 41 -2.767 5.793 4.572 1.00 0.00 C ATOM 536 CG GLN 1 41 -2.661 6.795 5.709 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.737 6.138 7.074 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -1.806 6.234 7.874 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -3.849 5.466 7.346 1.00 0.00 N ATOM 0 H GLN 1 41 -3.709 6.803 2.271 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.070 6.703 3.612 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -3.817 5.660 4.313 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.398 4.826 4.915 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -1.720 7.338 5.623 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -3.462 7.529 5.618 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -4.595 5.413 6.653 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -3.957 5.003 8.248 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.508 4.605 1.571 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.292 3.434 0.726 1.00 0.00 C ATOM 550 C CYS 1 42 -2.015 3.839 -0.716 1.00 0.00 C ATOM 551 O CYS 1 42 -1.918 5.024 -1.031 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.518 2.523 0.784 1.00 0.00 C ATOM 553 SG CYS 1 42 -4.801 2.905 -0.458 1.00 0.00 S ATOM 0 H CYS 1 42 -3.375 5.108 1.379 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.420 2.898 1.101 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.195 1.491 0.649 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -3.960 2.592 1.778 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.909 2.844 -1.594 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.660 3.101 -3.009 1.00 0.00 C ATOM 560 C ASN 1 43 -1.438 1.812 -3.797 1.00 0.00 C ATOM 561 O ASN 1 43 -1.655 1.779 -5.009 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.443 4.008 -3.179 1.00 0.00 C ATOM 563 CG ASN 1 43 0.770 3.490 -2.432 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.965 3.794 -1.255 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.594 2.704 -3.114 1.00 0.00 N ATOM 0 H ASN 1 43 -1.991 1.857 -1.351 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.549 3.592 -3.403 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.204 4.096 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.686 5.009 -2.823 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.428 2.326 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.393 2.478 -4.088 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.988 0.756 -3.124 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.727 -0.509 -3.806 1.00 0.00 C ATOM 574 C TYR 1 44 -0.536 -1.640 -2.817 1.00 0.00 C ATOM 575 O TYR 1 44 0.328 -2.501 -2.985 1.00 0.00 O ATOM 576 CB TYR 1 44 0.529 -0.366 -4.678 1.00 0.00 C ATOM 577 CG TYR 1 44 1.834 -0.411 -3.888 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.838 -0.370 -2.493 1.00 0.00 C ATOM 579 CD2 TYR 1 44 3.058 -0.524 -4.535 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.007 -0.440 -1.773 1.00 0.00 C ATOM 581 CE2 TYR 1 44 4.241 -0.588 -3.818 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.209 -0.547 -2.438 1.00 0.00 C ATOM 583 OH TYR 1 44 5.383 -0.618 -1.723 1.00 0.00 O ATOM 0 H TYR 1 44 -0.799 0.749 -2.122 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.589 -0.748 -4.428 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.537 -1.163 -5.421 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.477 0.577 -5.223 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.899 -0.281 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 3.087 -0.563 -5.614 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.983 -0.411 -0.694 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 5.185 -0.670 -4.336 1.00 0.00 H new ATOM 0 HH TYR 1 44 6.139 -0.691 -2.342 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.325 -1.608 -1.777 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.209 -2.611 -0.742 1.00 0.00 C ATOM 595 C GLY 1 45 -2.473 -3.396 -0.511 1.00 0.00 C ATOM 596 O GLY 1 45 -3.525 -3.091 -1.072 1.00 0.00 O ATOM 0 H GLY 1 45 -2.050 -0.908 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.407 -3.301 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.918 -2.126 0.190 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.358 -4.410 0.332 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.494 -5.259 0.666 1.00 0.00 C ATOM 602 C GLU 1 46 -4.521 -4.471 1.470 1.00 0.00 C ATOM 603 O GLU 1 46 -5.727 -4.681 1.341 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.029 -6.479 1.461 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.840 -7.724 0.611 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.451 -8.318 0.744 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.049 -8.640 1.882 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.764 -8.461 -0.290 1.00 0.00 O ATOM 0 H GLU 1 46 -1.488 -4.667 0.799 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.958 -5.600 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.088 -6.242 1.957 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.757 -6.691 2.244 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.579 -8.471 0.899 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.027 -7.477 -0.434 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.025 -3.559 2.298 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.881 -2.723 3.130 1.00 0.00 C ATOM 617 C CYS 1 47 -5.362 -1.490 2.365 1.00 0.00 C ATOM 618 O CYS 1 47 -6.163 -0.711 2.873 1.00 0.00 O ATOM 619 CB CYS 1 47 -4.118 -2.288 4.383 1.00 0.00 C ATOM 620 SG CYS 1 47 -5.157 -2.089 5.865 1.00 0.00 S ATOM 0 H CYS 1 47 -3.027 -3.379 2.411 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.755 -3.309 3.416 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -3.342 -3.023 4.594 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.615 -1.343 4.177 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.853 -1.301 1.152 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.220 -0.146 0.346 1.00 0.00 C ATOM 627 C CYS 1 48 -6.674 -0.189 -0.118 1.00 0.00 C ATOM 628 O CYS 1 48 -7.166 -1.216 -0.586 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.305 -0.045 -0.873 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.564 1.460 -1.862 1.00 0.00 S ATOM 0 H CYS 1 48 -4.187 -1.932 0.708 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.103 0.731 0.982 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.267 -0.076 -0.541 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.463 -0.917 -1.507 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.342 0.956 0.005 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.731 1.102 -0.409 1.00 0.00 C ATOM 637 C ASP 1 49 -9.079 2.580 -0.564 1.00 0.00 C ATOM 638 O ASP 1 49 -9.266 3.290 0.423 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.668 0.440 0.605 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.260 -0.858 0.089 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.245 -1.071 -1.142 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -10.738 -1.662 0.917 1.00 0.00 O ATOM 0 H ASP 1 49 -6.934 1.806 0.394 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.860 0.606 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.120 0.244 1.527 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.475 1.130 0.854 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.152 3.038 -1.812 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.466 4.435 -2.101 1.00 0.00 C ATOM 649 C GLN 1 50 -8.361 5.354 -1.584 1.00 0.00 C ATOM 650 O GLN 1 50 -8.632 6.406 -1.004 1.00 0.00 O ATOM 651 CB GLN 1 50 -10.811 4.822 -1.479 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.986 4.668 -2.430 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.220 5.411 -1.956 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.212 4.800 -1.559 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.165 6.737 -1.997 1.00 0.00 N ATOM 0 H GLN 1 50 -8.998 2.462 -2.639 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.535 4.552 -3.182 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -10.985 4.206 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -10.761 5.857 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.701 5.035 -3.416 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.223 3.610 -2.540 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -12.322 7.202 -2.334 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -13.966 7.290 -1.692 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.113 4.941 -1.793 1.00 0.00 N ATOM 665 CA CYS 1 51 -5.956 5.715 -1.345 1.00 0.00 C ATOM 666 C CYS 1 51 -5.918 5.803 0.180 1.00 0.00 C ATOM 667 O CYS 1 51 -5.234 6.656 0.745 1.00 0.00 O ATOM 668 CB CYS 1 51 -5.970 7.125 -1.945 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.710 7.192 -3.751 1.00 0.00 S ATOM 0 H CYS 1 51 -6.876 4.072 -2.271 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.061 5.198 -1.691 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -6.926 7.594 -1.712 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -5.196 7.719 -1.459 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.652 4.910 0.841 1.00 0.00 N ATOM 675 CA ARG 1 52 -6.698 4.881 2.298 1.00 0.00 C ATOM 676 C ARG 1 52 -6.610 3.444 2.802 1.00 0.00 C ATOM 677 O ARG 1 52 -7.130 2.525 2.171 1.00 0.00 O ATOM 678 CB ARG 1 52 -7.985 5.536 2.805 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.025 7.041 2.591 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.238 7.787 3.899 1.00 0.00 C ATOM 681 NE ARG 1 52 -6.980 8.269 4.465 1.00 0.00 N ATOM 682 CZ ARG 1 52 -6.872 8.815 5.674 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -7.943 8.951 6.447 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -5.690 9.226 6.112 1.00 0.00 N ATOM 0 H ARG 1 52 -7.223 4.197 0.388 1.00 0.00 H new ATOM 0 HA ARG 1 52 -5.845 5.442 2.681 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.838 5.082 2.300 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.096 5.325 3.869 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.092 7.369 2.132 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -8.827 7.289 1.895 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -8.907 8.631 3.730 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -8.730 7.129 4.616 1.00 0.00 H new ATOM 0 HE ARG 1 52 -6.135 8.182 3.900 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -8.855 8.636 6.115 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -7.854 9.370 7.373 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -4.864 9.124 5.522 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -5.607 9.645 7.038 1.00 0.00 H new ATOM 698 N PHE 1 53 -5.943 3.253 3.936 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.789 1.919 4.505 1.00 0.00 C ATOM 700 C PHE 1 53 -7.098 1.403 5.072 1.00 0.00 C ATOM 701 O PHE 1 53 -7.884 2.156 5.648 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.723 1.911 5.602 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.314 1.959 5.084 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.005 1.499 3.811 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.295 2.464 5.873 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.714 1.543 3.341 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -0.997 2.510 5.406 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.705 2.048 4.138 1.00 0.00 C ATOM 0 H PHE 1 53 -5.504 3.999 4.475 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.475 1.261 3.695 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -4.887 2.764 6.260 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.846 1.013 6.208 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.788 1.102 3.182 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.518 2.826 6.866 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.488 1.183 2.348 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.211 2.907 6.031 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.310 2.081 3.770 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.314 0.107 4.916 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.518 -0.528 5.424 1.00 0.00 C ATOM 720 C LYS 1 54 -8.467 -0.584 6.946 1.00 0.00 C ATOM 721 O LYS 1 54 -7.614 -1.260 7.518 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.662 -1.937 4.844 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.673 -2.031 3.713 1.00 0.00 C ATOM 724 CD LYS 1 54 -9.307 -3.133 2.731 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.300 -2.652 1.699 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.611 -3.166 0.337 1.00 0.00 N ATOM 0 H LYS 1 54 -6.670 -0.526 4.441 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.384 0.059 5.119 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.691 -2.272 4.480 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.957 -2.620 5.641 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.664 -2.223 4.124 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.724 -1.077 3.189 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -8.894 -3.983 3.274 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -10.207 -3.484 2.226 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -8.290 -1.562 1.682 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.300 -2.975 1.989 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -8.208 -2.525 -0.376 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.200 -4.114 0.222 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.642 -3.218 0.213 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.373 0.144 7.594 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.430 0.195 9.054 1.00 0.00 C ATOM 742 C LYS 1 55 -9.107 -1.159 9.677 1.00 0.00 C ATOM 743 O LYS 1 55 -9.664 -2.188 9.282 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.814 0.659 9.512 1.00 0.00 C ATOM 745 CG LYS 1 55 -10.924 0.853 11.016 1.00 0.00 C ATOM 746 CD LYS 1 55 -9.903 1.857 11.524 1.00 0.00 C ATOM 747 CE LYS 1 55 -10.444 2.655 12.699 1.00 0.00 C ATOM 748 NZ LYS 1 55 -11.059 3.939 12.263 1.00 0.00 N ATOM 0 H LYS 1 55 -10.082 0.710 7.128 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.677 0.908 9.389 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.056 1.598 9.014 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.557 -0.072 9.193 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.928 1.195 11.267 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.777 -0.103 11.519 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -8.995 1.334 11.825 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -9.627 2.536 10.718 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.186 2.060 13.231 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -9.636 2.860 13.401 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -11.416 4.453 13.094 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -10.345 4.519 11.777 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -11.847 3.743 11.613 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.199 -1.151 10.651 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.798 -2.375 11.331 1.00 0.00 C ATOM 764 C ALA 1 56 -9.009 -3.243 11.623 1.00 0.00 C ATOM 765 O ALA 1 56 -10.010 -2.770 12.162 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.063 -2.063 12.622 1.00 0.00 C ATOM 0 H ALA 1 56 -7.729 -0.310 10.985 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.123 -2.919 10.670 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.774 -2.994 13.110 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.171 -1.478 12.400 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.715 -1.493 13.284 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.924 -4.504 11.246 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.036 -5.407 11.458 1.00 0.00 C ATOM 774 C GLY 1 57 -10.605 -5.909 10.149 1.00 0.00 C ATOM 775 O GLY 1 57 -11.395 -6.853 10.128 1.00 0.00 O ATOM 0 H GLY 1 57 -8.108 -4.921 10.798 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.708 -6.254 12.061 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.817 -4.897 12.023 1.00 0.00 H new ATOM 779 N THR 1 58 -10.189 -5.285 9.049 1.00 0.00 N ATOM 780 CA THR 1 58 -10.643 -5.688 7.728 1.00 0.00 C ATOM 781 C THR 1 58 -9.841 -6.895 7.248 1.00 0.00 C ATOM 782 O THR 1 58 -8.676 -6.763 6.872 1.00 0.00 O ATOM 783 CB THR 1 58 -10.485 -4.531 6.739 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.250 -3.411 7.150 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.911 -4.887 5.334 1.00 0.00 C ATOM 0 H THR 1 58 -9.539 -4.499 9.050 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.697 -5.960 7.786 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.420 -4.299 6.732 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.782 -2.942 7.872 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.774 -4.024 4.683 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.305 -5.717 4.969 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.961 -5.178 5.335 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.462 -8.071 7.266 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.794 -9.284 6.837 1.00 0.00 C ATOM 795 C VAL 1 59 -9.373 -9.178 5.382 1.00 0.00 C ATOM 796 O VAL 1 59 -10.203 -8.990 4.493 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.691 -10.527 7.013 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.980 -10.374 6.221 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.948 -11.790 6.598 1.00 0.00 C ATOM 0 H VAL 1 59 -11.425 -8.204 7.574 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.913 -9.400 7.468 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.949 -10.616 8.068 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.599 -11.261 6.358 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.521 -9.496 6.573 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.745 -10.256 5.163 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.598 -12.655 6.730 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.655 -11.712 5.551 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -9.058 -11.908 7.216 1.00 0.00 H new ATOM 809 N CYS 1 60 -8.079 -9.303 5.149 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.542 -9.225 3.799 1.00 0.00 C ATOM 811 C CYS 1 60 -7.349 -10.622 3.230 1.00 0.00 C ATOM 812 O CYS 1 60 -7.591 -10.868 2.048 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.214 -8.466 3.806 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.218 -6.980 4.860 1.00 0.00 S ATOM 0 H CYS 1 60 -7.380 -9.459 5.875 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.250 -8.687 3.168 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.425 -9.137 4.145 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.968 -8.174 2.785 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.919 -11.533 4.091 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.697 -12.922 3.694 1.00 0.00 C ATOM 821 C ARG 1 61 -6.819 -13.868 4.883 1.00 0.00 C ATOM 822 O ARG 1 61 -7.126 -13.456 6.001 1.00 0.00 O ATOM 823 CB ARG 1 61 -5.337 -13.102 3.000 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.145 -13.123 3.937 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.908 -12.531 3.282 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.872 -12.214 4.262 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.724 -11.616 3.963 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.455 -11.265 2.712 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.158 -11.371 4.922 1.00 0.00 N ATOM 0 H ARG 1 61 -6.716 -11.338 5.071 1.00 0.00 H new ATOM 0 HA ARG 1 61 -7.477 -13.176 2.977 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -5.354 -14.034 2.434 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -5.202 -12.295 2.280 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.382 -12.562 4.841 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.940 -14.149 4.243 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.512 -13.235 2.550 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -3.182 -11.627 2.738 1.00 0.00 H new ATOM 0 HE ARG 1 61 -2.040 -12.467 5.236 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.132 -11.454 1.973 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 0.428 -10.806 2.490 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.046 -11.641 5.884 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 1.041 -10.912 4.698 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.568 -15.141 4.624 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.626 -16.167 5.648 1.00 0.00 C ATOM 845 C ILE 1 62 -5.870 -17.396 5.176 1.00 0.00 C ATOM 846 O ILE 1 62 -6.063 -17.870 4.057 1.00 0.00 O ATOM 847 CB ILE 1 62 -8.076 -16.549 5.999 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.119 -17.800 6.884 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.871 -16.766 4.729 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.355 -17.654 8.181 1.00 0.00 C ATOM 0 H ILE 1 62 -6.319 -15.490 3.699 1.00 0.00 H new ATOM 0 HA ILE 1 62 -6.164 -15.766 6.550 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.523 -15.730 6.563 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.158 -18.039 7.110 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.712 -18.643 6.326 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.896 -17.036 4.983 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.873 -15.849 4.140 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -8.417 -17.569 4.149 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -7.431 -18.578 8.754 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.307 -17.446 7.965 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.776 -16.832 8.761 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.994 -17.890 6.031 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.177 -19.054 5.712 1.00 0.00 C ATOM 864 C ALA 1 63 -4.996 -20.157 5.043 1.00 0.00 C ATOM 865 O ALA 1 63 -5.008 -20.266 3.816 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.476 -19.562 6.958 1.00 0.00 C ATOM 0 H ALA 1 63 -4.827 -17.502 6.959 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.419 -18.746 4.992 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.869 -20.432 6.705 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.836 -18.777 7.361 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.219 -19.843 7.705 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.684 -20.969 5.840 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.503 -22.052 5.292 1.00 0.00 C ATOM 874 C ARG 1 64 -7.123 -22.908 6.396 1.00 0.00 C ATOM 875 O ARG 1 64 -6.658 -24.015 6.669 1.00 0.00 O ATOM 876 CB ARG 1 64 -5.667 -22.935 4.356 1.00 0.00 C ATOM 877 CG ARG 1 64 -6.338 -23.207 3.019 1.00 0.00 C ATOM 878 CD ARG 1 64 -6.472 -21.938 2.194 1.00 0.00 C ATOM 879 NE ARG 1 64 -7.407 -22.103 1.084 1.00 0.00 N ATOM 880 CZ ARG 1 64 -7.149 -22.828 -0.002 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -5.986 -23.455 -0.128 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -8.055 -22.925 -0.965 1.00 0.00 N ATOM 0 H ARG 1 64 -5.693 -20.902 6.858 1.00 0.00 H new ATOM 0 HA ARG 1 64 -7.314 -21.592 4.727 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -4.705 -22.454 4.179 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.463 -23.884 4.851 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -5.758 -23.944 2.463 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -7.325 -23.639 3.187 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -6.810 -21.123 2.834 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -5.494 -21.653 1.805 1.00 0.00 H new ATOM 0 HE ARG 1 64 -8.311 -21.635 1.145 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -5.285 -23.383 0.609 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -5.793 -24.009 -0.962 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -8.950 -22.444 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -7.857 -23.481 -1.797 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.179 -22.396 7.020 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.844 -23.137 8.079 1.00 0.00 C ATOM 898 C GLY 1 65 -9.655 -22.243 8.996 1.00 0.00 C ATOM 899 O GLY 1 65 -10.621 -22.692 9.613 1.00 0.00 O ATOM 0 H GLY 1 65 -8.586 -21.484 6.813 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.499 -23.887 7.636 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.098 -23.672 8.666 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.254 -20.977 9.088 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.936 -19.999 9.936 1.00 0.00 C ATOM 905 C ASP 1 66 -9.484 -20.136 11.385 1.00 0.00 C ATOM 906 O ASP 1 66 -10.176 -20.726 12.214 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.459 -20.147 9.842 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.934 -20.380 8.421 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.203 -20.001 7.481 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.035 -20.942 8.247 1.00 0.00 O ATOM 0 H ASP 1 66 -8.453 -20.601 8.581 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.668 -19.006 9.576 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.779 -20.979 10.469 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.933 -19.249 10.237 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.310 -19.589 11.672 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.734 -19.644 13.012 1.00 0.00 C ATOM 917 C TRP 1 67 -7.507 -18.241 13.555 1.00 0.00 C ATOM 918 O TRP 1 67 -8.174 -17.800 14.490 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.402 -20.402 12.974 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.957 -20.740 11.583 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.466 -19.881 10.639 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.980 -22.032 10.975 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.191 -20.562 9.485 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.491 -21.885 9.666 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.364 -23.300 11.412 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.378 -22.956 8.790 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.251 -24.367 10.541 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.760 -24.190 9.242 1.00 0.00 C ATOM 0 H TRP 1 67 -7.733 -19.098 10.989 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.432 -20.165 13.668 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.634 -19.799 13.458 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.497 -21.321 13.552 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.317 -18.821 10.783 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.822 -20.150 8.628 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.743 -23.445 12.413 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.002 -22.820 7.787 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.546 -25.353 10.868 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.681 -25.043 8.584 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.553 -17.553 12.948 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.205 -16.195 13.339 1.00 0.00 C ATOM 941 C ASN 1 68 -6.740 -15.198 12.320 1.00 0.00 C ATOM 942 O ASN 1 68 -7.124 -14.081 12.667 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.687 -16.057 13.459 1.00 0.00 C ATOM 944 CG ASN 1 68 -4.045 -17.258 14.128 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.849 -18.327 13.362 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -3.728 -17.226 15.317 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.999 -17.918 12.173 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.658 -15.983 14.307 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -4.258 -15.926 12.466 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.451 -15.158 14.029 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.897 -16.384 15.867 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.296 -18.041 15.752 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.767 -15.618 11.058 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.262 -14.774 9.976 1.00 0.00 C ATOM 955 C ASP 1 69 -6.406 -13.527 9.809 1.00 0.00 C ATOM 956 O ASP 1 69 -5.991 -12.910 10.790 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.709 -14.366 10.243 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.706 -15.343 9.652 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -10.083 -16.304 10.355 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.110 -15.147 8.487 1.00 0.00 O ATOM 0 H ASP 1 69 -6.451 -16.541 10.760 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.210 -15.354 9.055 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.870 -14.293 11.319 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.886 -13.374 9.827 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.159 -13.152 8.559 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.369 -11.966 8.269 1.00 0.00 C ATOM 967 C ASP 1 70 -6.219 -10.721 8.428 1.00 0.00 C ATOM 968 O ASP 1 70 -7.342 -10.663 7.929 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.805 -12.023 6.855 1.00 0.00 C ATOM 970 CG ASP 1 70 -4.005 -10.782 6.505 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.812 -9.933 7.398 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -3.582 -10.655 5.338 1.00 0.00 O ATOM 0 H ASP 1 70 -6.494 -13.651 7.735 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.539 -11.930 8.975 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.169 -12.903 6.755 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.623 -12.138 6.144 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.694 -9.728 9.134 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.447 -8.508 9.358 1.00 0.00 C ATOM 979 C TYR 1 71 -5.612 -7.250 9.209 1.00 0.00 C ATOM 980 O TYR 1 71 -4.442 -7.204 9.586 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.072 -8.547 10.740 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.350 -9.332 10.760 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.500 -8.796 10.218 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.402 -10.607 11.297 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.681 -9.500 10.212 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.577 -11.327 11.296 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.719 -10.770 10.753 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.896 -11.483 10.749 1.00 0.00 O ATOM 0 H TYR 1 71 -4.765 -9.744 9.554 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.217 -8.464 8.587 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.366 -8.987 11.444 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.267 -7.529 11.078 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.472 -7.805 9.790 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.510 -11.043 11.722 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.573 -9.063 9.787 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.605 -12.321 11.717 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.750 -12.358 11.166 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.255 -6.222 8.672 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.625 -4.930 8.474 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.257 -4.309 9.816 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.787 -4.702 10.856 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.581 -4.009 7.722 1.00 0.00 C ATOM 1003 SG CYS 1 72 -6.200 -3.824 5.954 1.00 0.00 S ATOM 0 H CYS 1 72 -7.226 -6.263 8.363 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.714 -5.064 7.891 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -7.595 -4.394 7.825 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.564 -3.025 8.191 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.354 -3.338 9.788 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.923 -2.667 11.009 1.00 0.00 C ATOM 1010 C THR 1 73 -4.216 -1.166 10.958 1.00 0.00 C ATOM 1011 O THR 1 73 -4.051 -0.462 11.954 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.433 -2.908 11.240 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.664 -2.358 10.185 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.084 -4.377 11.349 1.00 0.00 C ATOM 0 H THR 1 73 -3.907 -2.998 8.937 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.488 -3.087 11.841 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.200 -2.420 12.187 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.713 -2.522 10.354 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.012 -4.485 11.513 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.625 -4.818 12.186 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.363 -4.887 10.427 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.656 -0.682 9.798 1.00 0.00 N ATOM 1023 CA GLY 1 74 -4.969 0.729 9.651 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.757 1.629 9.810 1.00 0.00 C ATOM 1025 O GLY 1 74 -3.897 2.842 9.964 1.00 0.00 O ATOM 0 H GLY 1 74 -4.801 -1.242 8.958 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.412 0.896 8.669 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.720 1.007 10.391 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.565 1.040 9.772 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.332 1.808 9.913 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.314 1.433 8.837 1.00 0.00 C ATOM 1032 O LYS 1 75 0.821 1.910 8.854 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.728 1.585 11.300 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.746 1.679 12.424 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.282 2.623 13.521 1.00 0.00 C ATOM 1036 CE LYS 1 75 -2.341 2.788 14.599 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -3.620 3.313 14.046 1.00 0.00 N ATOM 0 H LYS 1 75 -2.427 0.037 9.645 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.581 2.862 9.791 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.256 0.603 11.329 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 0.058 2.322 11.469 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.699 2.025 12.024 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -1.917 0.688 12.844 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -0.364 2.241 13.967 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.046 3.596 13.090 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -2.521 1.827 15.081 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -1.973 3.466 15.369 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -4.201 3.696 14.819 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -3.418 4.067 13.359 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -4.136 2.543 13.573 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.723 0.580 7.903 1.00 0.00 N ATOM 1052 CA SER 1 76 0.155 0.146 6.825 1.00 0.00 C ATOM 1053 C SER 1 76 -0.647 -0.533 5.721 1.00 0.00 C ATOM 1054 O SER 1 76 -1.801 -0.913 5.924 1.00 0.00 O ATOM 1055 CB SER 1 76 1.219 -0.816 7.359 1.00 0.00 C ATOM 1056 OG SER 1 76 1.714 -0.386 8.615 1.00 0.00 O ATOM 0 H SER 1 76 -1.659 0.176 7.872 1.00 0.00 H new ATOM 0 HA SER 1 76 0.647 1.026 6.411 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.794 -1.815 7.455 1.00 0.00 H new ATOM 0 HB3 SER 1 76 2.040 -0.886 6.646 1.00 0.00 H new ATOM 0 HG SER 1 76 1.840 0.586 8.602 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.028 -0.694 4.558 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.683 -1.341 3.427 1.00 0.00 C ATOM 1064 C SER 1 77 -0.494 -2.855 3.484 1.00 0.00 C ATOM 1065 O SER 1 77 -0.783 -3.561 2.518 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.128 -0.796 2.108 1.00 0.00 C ATOM 1067 OG SER 1 77 0.609 0.396 2.317 1.00 0.00 O ATOM 0 H SER 1 77 0.926 -0.386 4.373 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.749 -1.122 3.482 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.512 -1.545 1.642 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -0.949 -0.603 1.417 1.00 0.00 H new ATOM 0 HG SER 1 77 -0.010 1.144 2.452 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.007 -3.348 4.620 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.218 -4.774 4.796 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.901 -5.397 5.621 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.564 -4.717 6.404 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.567 -5.021 5.473 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.737 -4.735 4.552 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.576 -3.913 3.626 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.814 -5.333 4.757 1.00 0.00 O ATOM 0 H ASP 1 78 0.238 -2.779 5.430 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.226 -5.242 3.811 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.645 -4.393 6.361 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.617 -6.057 5.809 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.107 -6.692 5.432 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.148 -7.415 6.148 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.587 -8.699 6.762 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.453 -9.714 6.080 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.296 -7.739 5.193 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.312 -6.294 4.749 1.00 0.00 S ATOM 0 H CYS 1 79 -0.565 -7.266 4.786 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.522 -6.788 6.957 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.887 -8.177 4.283 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.935 -8.494 5.651 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.246 -8.670 8.064 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.693 -9.838 8.765 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.734 -10.931 9.001 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.819 -10.665 9.518 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.224 -9.253 10.099 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.098 -8.069 10.318 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.363 -7.498 8.953 1.00 0.00 C ATOM 0 HA PRO 1 80 0.095 -10.322 8.188 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.327 -9.977 10.907 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.827 -8.968 10.059 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.028 -8.355 10.810 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.610 -7.336 10.961 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.352 -7.045 8.892 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.641 -6.724 8.694 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.392 -12.164 8.625 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.302 -13.303 8.803 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.753 -13.425 10.250 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.791 -14.019 10.540 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.655 -14.633 8.385 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.397 -14.499 7.586 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.868 -14.291 8.058 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.289 -14.575 6.169 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.755 -14.228 7.010 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.065 -14.402 5.839 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.215 -14.773 5.151 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.515 -14.422 4.523 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.771 -14.794 3.842 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.585 -14.619 3.538 1.00 0.00 C ATOM 0 H TRP 1 81 -0.497 -12.402 8.197 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.160 -13.107 8.159 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -1.438 -15.212 9.282 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.378 -15.205 7.804 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.132 -14.191 9.100 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.760 -14.077 7.091 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.262 -14.908 5.379 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.560 -14.287 4.287 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.480 -14.948 3.042 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 0.903 -14.640 2.506 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.944 -12.880 11.149 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.212 -12.932 12.586 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.667 -14.230 13.169 1.00 0.00 C ATOM 1136 O ASN 1 82 -2.237 -14.797 14.101 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.712 -12.814 12.875 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.996 -12.415 14.309 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -3.878 -13.227 15.227 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.375 -11.158 14.510 1.00 0.00 N ATOM 0 H ASN 1 82 -1.083 -12.389 10.906 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.711 -12.086 13.056 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.152 -12.078 12.202 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.196 -13.768 12.664 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -4.581 -10.832 15.454 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -4.460 -10.518 13.720 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.558 -14.696 12.601 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.077 -15.931 13.043 1.00 0.00 C ATOM 1149 C HIS 1 83 1.352 -15.640 13.829 1.00 0.00 C ATOM 1150 O HIS 1 83 1.518 -16.221 14.922 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.395 -16.814 11.835 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.797 -17.074 10.970 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -2.118 -17.039 11.259 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -0.707 -17.408 9.636 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -2.796 -17.348 10.107 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -1.923 -17.565 9.142 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 2.173 -14.833 13.345 1.00 0.00 O ATOM 0 H HIS 1 83 -0.079 -14.232 11.829 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.615 -16.456 13.701 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.173 -16.337 11.238 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.798 -17.765 12.183 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.533 -16.823 12.165 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 0.212 -17.523 9.081 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.870 -17.404 10.006 1.00 0.00 H new