USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=15 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= -0.682 F(o=-11,f=-9.9) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -9.24! C(o=-11!,f=-9.9!) USER MOD Single : 1 7 ASN : amide:sc= -1.03 K(o=-1,f=-2.2!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= 0 X(o=0,f=0.043) USER MOD Single : 1 25 GLN : amide:sc=-0.00936 X(o=-0.0094,f=0) USER MOD Single : 1 30 ASN :FLIP amide:sc= -8.89! C(o=-9.6!,f=-8.9!) USER MOD Single : 1 33 THR OG1 : rot -27:sc= 0.0913 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 46:sc= -2.72 USER MOD Single : 1 40 SER OG : rot 50:sc= -1.74 USER MOD Single : 1 41 GLN :FLIP amide:sc= -0.0162 F(o=-0.56,f=-0.016) USER MOD Single : 1 43 ASN : amide:sc= -2.28 K(o=-2.3,f=-3.2) USER MOD Single : 1 44 TYR OH : rot 3:sc= -4.68! USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 73:sc= 0.805 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+ -165:sc= -0.099 (180deg=-0.338) USER MOD Single : 1 76 SER OG : rot 180:sc=-0.00353 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.0859 USER MOD Single : 1 82 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 15.497 1.137 -7.872 1.00 0.00 N ATOM 29 CA PRO 1 3 14.603 1.684 -6.842 1.00 0.00 C ATOM 30 C PRO 1 3 14.783 3.189 -6.653 1.00 0.00 C ATOM 31 O PRO 1 3 15.129 3.653 -5.567 1.00 0.00 O ATOM 32 CB PRO 1 3 15.021 0.937 -5.575 1.00 0.00 C ATOM 33 CG PRO 1 3 16.431 0.526 -5.819 1.00 0.00 C ATOM 34 CD PRO 1 3 16.540 0.268 -7.294 1.00 0.00 C ATOM 0 HA PRO 1 3 13.554 1.553 -7.106 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 14.943 1.576 -4.696 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.382 0.072 -5.398 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.124 1.308 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 16.681 -0.368 -5.247 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.530 0.521 -7.674 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.366 -0.781 -7.532 1.00 0.00 H new ATOM 42 N VAL 1 4 14.555 3.944 -7.721 1.00 0.00 N ATOM 43 CA VAL 1 4 14.698 5.394 -7.683 1.00 0.00 C ATOM 44 C VAL 1 4 13.392 6.095 -8.028 1.00 0.00 C ATOM 45 O VAL 1 4 12.575 5.569 -8.783 1.00 0.00 O ATOM 46 CB VAL 1 4 15.796 5.872 -8.652 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.074 7.354 -8.453 1.00 0.00 C ATOM 48 CG2 VAL 1 4 17.065 5.052 -8.467 1.00 0.00 C ATOM 0 H VAL 1 4 14.269 3.574 -8.628 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.980 5.653 -6.662 1.00 0.00 H new ATOM 0 HB VAL 1 4 15.444 5.727 -9.673 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.852 7.674 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 15.164 7.923 -8.641 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.406 7.528 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 17.830 5.404 -9.160 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 17.424 5.163 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 16.852 4.002 -8.665 1.00 0.00 H new ATOM 58 N CYS 1 5 13.209 7.296 -7.487 1.00 0.00 N ATOM 59 CA CYS 1 5 12.008 8.072 -7.763 1.00 0.00 C ATOM 60 C CYS 1 5 12.166 8.738 -9.118 1.00 0.00 C ATOM 61 O CYS 1 5 12.677 9.853 -9.233 1.00 0.00 O ATOM 62 CB CYS 1 5 11.777 9.120 -6.672 1.00 0.00 C ATOM 63 SG CYS 1 5 10.198 8.931 -5.782 1.00 0.00 S ATOM 0 H CYS 1 5 13.873 7.749 -6.859 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.140 7.413 -7.774 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.595 9.068 -5.954 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 11.811 10.112 -7.123 1.00 0.00 H new ATOM 68 N GLY 1 6 11.752 8.012 -10.144 1.00 0.00 N ATOM 69 CA GLY 1 6 11.871 8.482 -11.504 1.00 0.00 C ATOM 70 C GLY 1 6 12.238 7.345 -12.438 1.00 0.00 C ATOM 71 O GLY 1 6 12.880 7.549 -13.468 1.00 0.00 O ATOM 0 H GLY 1 6 11.328 7.089 -10.053 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.930 8.930 -11.822 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.630 9.262 -11.558 1.00 0.00 H new ATOM 75 N ASN 1 7 11.820 6.141 -12.057 1.00 0.00 N ATOM 76 CA ASN 1 7 12.081 4.935 -12.825 1.00 0.00 C ATOM 77 C ASN 1 7 10.797 4.127 -12.952 1.00 0.00 C ATOM 78 O ASN 1 7 10.823 2.946 -13.298 1.00 0.00 O ATOM 79 CB ASN 1 7 13.153 4.092 -12.125 1.00 0.00 C ATOM 80 CG ASN 1 7 14.554 4.616 -12.374 1.00 0.00 C ATOM 81 OD1 ASN 1 7 14.943 5.656 -11.844 1.00 0.00 O ATOM 82 ND2 ASN 1 7 15.320 3.895 -13.184 1.00 0.00 N ATOM 0 H ASN 1 7 11.288 5.978 -11.202 1.00 0.00 H new ATOM 0 HA ASN 1 7 12.437 5.211 -13.817 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.958 4.079 -11.053 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 13.086 3.061 -12.474 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 16.272 4.197 -13.388 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.956 3.039 -13.602 1.00 0.00 H new ATOM 89 N LYS 1 8 9.678 4.772 -12.626 1.00 0.00 N ATOM 90 CA LYS 1 8 8.376 4.133 -12.653 1.00 0.00 C ATOM 91 C LYS 1 8 8.257 3.172 -11.477 1.00 0.00 C ATOM 92 O LYS 1 8 7.335 2.360 -11.403 1.00 0.00 O ATOM 93 CB LYS 1 8 8.129 3.414 -13.983 1.00 0.00 C ATOM 94 CG LYS 1 8 7.192 4.172 -14.911 1.00 0.00 C ATOM 95 CD LYS 1 8 5.793 3.577 -14.901 1.00 0.00 C ATOM 96 CE LYS 1 8 5.729 2.292 -15.710 1.00 0.00 C ATOM 97 NZ LYS 1 8 5.512 2.557 -17.159 1.00 0.00 N ATOM 0 H LYS 1 8 9.655 5.750 -12.337 1.00 0.00 H new ATOM 0 HA LYS 1 8 7.609 4.902 -12.563 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 9.083 3.260 -14.488 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.711 2.427 -13.783 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 7.145 5.218 -14.607 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 7.589 4.152 -15.926 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 5.489 3.377 -13.874 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.086 4.300 -15.308 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 6.656 1.734 -15.578 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 4.922 1.665 -15.331 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 5.474 1.655 -17.675 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 4.615 3.067 -17.288 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 6.295 3.134 -17.527 1.00 0.00 H new ATOM 111 N ILE 1 9 9.199 3.304 -10.546 1.00 0.00 N ATOM 112 CA ILE 1 9 9.230 2.498 -9.344 1.00 0.00 C ATOM 113 C ILE 1 9 8.953 3.387 -8.146 1.00 0.00 C ATOM 114 O ILE 1 9 9.256 4.580 -8.166 1.00 0.00 O ATOM 115 CB ILE 1 9 10.597 1.807 -9.151 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.906 0.895 -10.337 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.618 1.014 -7.851 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.335 0.400 -10.361 1.00 0.00 C ATOM 0 H ILE 1 9 9.962 3.978 -10.611 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.470 1.723 -9.438 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.366 2.577 -9.096 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.233 0.038 -10.311 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.701 1.433 -11.262 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.590 0.534 -7.733 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.441 1.687 -7.012 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.838 0.253 -7.877 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.483 -0.242 -11.230 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 13.014 1.251 -10.418 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 12.539 -0.166 -9.452 1.00 0.00 H new ATOM 130 N LEU 1 10 8.386 2.811 -7.107 1.00 0.00 N ATOM 131 CA LEU 1 10 8.081 3.569 -5.903 1.00 0.00 C ATOM 132 C LEU 1 10 9.347 3.779 -5.085 1.00 0.00 C ATOM 133 O LEU 1 10 9.389 3.456 -3.897 1.00 0.00 O ATOM 134 CB LEU 1 10 7.011 2.857 -5.065 1.00 0.00 C ATOM 135 CG LEU 1 10 6.928 1.339 -5.249 1.00 0.00 C ATOM 136 CD1 LEU 1 10 6.430 0.676 -3.975 1.00 0.00 C ATOM 137 CD2 LEU 1 10 6.025 0.993 -6.426 1.00 0.00 C ATOM 0 H LEU 1 10 8.126 1.825 -7.067 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.686 4.541 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.200 3.068 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.039 3.288 -5.307 1.00 0.00 H new ATOM 0 HG LEU 1 10 7.928 0.961 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 6.377 -0.403 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 7.116 0.897 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 5.439 1.058 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 5.978 -0.090 -6.542 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 5.024 1.383 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 6.427 1.438 -7.336 1.00 0.00 H new ATOM 149 N GLU 1 11 10.385 4.314 -5.738 1.00 0.00 N ATOM 150 CA GLU 1 11 11.668 4.561 -5.089 1.00 0.00 C ATOM 151 C GLU 1 11 11.974 3.458 -4.083 1.00 0.00 C ATOM 152 O GLU 1 11 12.044 3.697 -2.878 1.00 0.00 O ATOM 153 CB GLU 1 11 11.661 5.926 -4.404 1.00 0.00 C ATOM 154 CG GLU 1 11 12.923 6.215 -3.609 1.00 0.00 C ATOM 155 CD GLU 1 11 13.195 7.700 -3.464 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.694 8.303 -2.492 1.00 0.00 O ATOM 157 OE2 GLU 1 11 13.908 8.259 -4.323 1.00 0.00 O ATOM 0 H GLU 1 11 10.356 4.584 -6.721 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.450 4.560 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.532 6.701 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 10.801 5.984 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 12.835 5.767 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.773 5.740 -4.099 1.00 0.00 H new ATOM 164 N GLN 1 12 12.131 2.244 -4.595 1.00 0.00 N ATOM 165 CA GLN 1 12 12.404 1.084 -3.750 1.00 0.00 C ATOM 166 C GLN 1 12 11.156 0.670 -2.972 1.00 0.00 C ATOM 167 O GLN 1 12 10.487 -0.304 -3.320 1.00 0.00 O ATOM 168 CB GLN 1 12 13.559 1.371 -2.780 1.00 0.00 C ATOM 169 CG GLN 1 12 14.574 0.241 -2.695 1.00 0.00 C ATOM 170 CD GLN 1 12 14.494 -0.517 -1.384 1.00 0.00 C ATOM 171 OE1 GLN 1 12 14.616 0.067 -0.307 1.00 0.00 O ATOM 172 NE2 GLN 1 12 14.289 -1.826 -1.469 1.00 0.00 N ATOM 0 H GLN 1 12 12.074 2.035 -5.592 1.00 0.00 H new ATOM 0 HA GLN 1 12 12.696 0.261 -4.402 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.068 2.283 -3.093 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.151 1.558 -1.787 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.412 -0.451 -3.521 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.578 0.649 -2.814 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 14.194 -2.269 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 14.227 -2.389 -0.620 1.00 0.00 H new ATOM 181 N GLY 1 13 10.849 1.422 -1.925 1.00 0.00 N ATOM 182 CA GLY 1 13 9.683 1.142 -1.105 1.00 0.00 C ATOM 183 C GLY 1 13 9.147 2.408 -0.476 1.00 0.00 C ATOM 184 O GLY 1 13 8.760 2.427 0.693 1.00 0.00 O ATOM 0 H GLY 1 13 11.393 2.231 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 8.908 0.678 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 9.945 0.427 -0.325 1.00 0.00 H new ATOM 188 N GLU 1 14 9.157 3.474 -1.263 1.00 0.00 N ATOM 189 CA GLU 1 14 8.705 4.783 -0.817 1.00 0.00 C ATOM 190 C GLU 1 14 7.187 4.841 -0.646 1.00 0.00 C ATOM 191 O GLU 1 14 6.688 5.529 0.244 1.00 0.00 O ATOM 192 CB GLU 1 14 9.178 5.829 -1.818 1.00 0.00 C ATOM 193 CG GLU 1 14 10.496 6.475 -1.430 1.00 0.00 C ATOM 194 CD GLU 1 14 10.429 7.182 -0.090 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.671 8.168 0.024 1.00 0.00 O ATOM 196 OE2 GLU 1 14 11.134 6.748 0.845 1.00 0.00 O ATOM 0 H GLU 1 14 9.479 3.455 -2.231 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.133 4.985 0.165 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.284 5.363 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.416 6.602 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.274 5.712 -1.395 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.786 7.190 -2.200 1.00 0.00 H new ATOM 203 N ASP 1 15 6.465 4.119 -1.506 1.00 0.00 N ATOM 204 CA ASP 1 15 4.998 4.069 -1.478 1.00 0.00 C ATOM 205 C ASP 1 15 4.404 5.120 -2.402 1.00 0.00 C ATOM 206 O ASP 1 15 3.327 5.659 -2.148 1.00 0.00 O ATOM 207 CB ASP 1 15 4.445 4.246 -0.057 1.00 0.00 C ATOM 208 CG ASP 1 15 5.162 3.377 0.958 1.00 0.00 C ATOM 209 OD1 ASP 1 15 5.586 2.261 0.591 1.00 0.00 O ATOM 210 OD2 ASP 1 15 5.299 3.812 2.121 1.00 0.00 O ATOM 0 H ASP 1 15 6.881 3.551 -2.244 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.706 3.080 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 4.535 5.292 0.237 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 3.382 4.004 -0.051 1.00 0.00 H new ATOM 215 N CYS 1 16 5.115 5.385 -3.487 1.00 0.00 N ATOM 216 CA CYS 1 16 4.679 6.348 -4.484 1.00 0.00 C ATOM 217 C CYS 1 16 5.570 6.264 -5.710 1.00 0.00 C ATOM 218 O CYS 1 16 6.633 6.881 -5.763 1.00 0.00 O ATOM 219 CB CYS 1 16 4.704 7.758 -3.924 1.00 0.00 C ATOM 220 SG CYS 1 16 3.933 8.994 -5.013 1.00 0.00 S ATOM 0 H CYS 1 16 6.008 4.940 -3.700 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.653 6.108 -4.765 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 4.192 7.766 -2.962 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 5.738 8.047 -3.737 1.00 0.00 H new ATOM 225 N ASP 1 17 5.143 5.476 -6.683 1.00 0.00 N ATOM 226 CA ASP 1 17 5.916 5.288 -7.896 1.00 0.00 C ATOM 227 C ASP 1 17 5.376 6.128 -9.048 1.00 0.00 C ATOM 228 O ASP 1 17 4.210 6.016 -9.426 1.00 0.00 O ATOM 229 CB ASP 1 17 5.924 3.805 -8.267 1.00 0.00 C ATOM 230 CG ASP 1 17 4.591 3.329 -8.815 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.544 3.760 -8.286 1.00 0.00 O ATOM 232 OD2 ASP 1 17 4.595 2.526 -9.771 1.00 0.00 O ATOM 0 H ASP 1 17 4.265 4.957 -6.655 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.936 5.623 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 6.702 3.625 -9.009 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 6.181 3.216 -7.386 1.00 0.00 H new ATOM 237 N CYS 1 18 6.246 6.962 -9.604 1.00 0.00 N ATOM 238 CA CYS 1 18 5.885 7.824 -10.720 1.00 0.00 C ATOM 239 C CYS 1 18 7.134 8.225 -11.501 1.00 0.00 C ATOM 240 O CYS 1 18 8.100 8.728 -10.927 1.00 0.00 O ATOM 241 CB CYS 1 18 5.165 9.076 -10.212 1.00 0.00 C ATOM 242 SG CYS 1 18 3.424 8.812 -9.747 1.00 0.00 S ATOM 0 H CYS 1 18 7.214 7.059 -9.296 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.214 7.274 -11.381 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.704 9.463 -9.347 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 5.209 9.843 -10.985 1.00 0.00 H new ATOM 247 N GLY 1 19 7.110 7.998 -12.809 1.00 0.00 N ATOM 248 CA GLY 1 19 8.249 8.341 -13.643 1.00 0.00 C ATOM 249 C GLY 1 19 8.643 9.798 -13.515 1.00 0.00 C ATOM 250 O GLY 1 19 9.795 10.115 -13.221 1.00 0.00 O ATOM 0 H GLY 1 19 6.323 7.583 -13.308 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.097 7.713 -13.370 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.012 8.122 -14.684 1.00 0.00 H new ATOM 254 N SER 1 20 7.685 10.688 -13.737 1.00 0.00 N ATOM 255 CA SER 1 20 7.939 12.122 -13.642 1.00 0.00 C ATOM 256 C SER 1 20 6.783 12.837 -12.945 1.00 0.00 C ATOM 257 O SER 1 20 5.619 12.502 -13.160 1.00 0.00 O ATOM 258 CB SER 1 20 8.154 12.715 -15.036 1.00 0.00 C ATOM 259 OG SER 1 20 9.414 12.338 -15.562 1.00 0.00 O ATOM 0 H SER 1 20 6.726 10.444 -13.984 1.00 0.00 H new ATOM 0 HA SER 1 20 8.842 12.267 -13.048 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.362 12.377 -15.704 1.00 0.00 H new ATOM 0 HB3 SER 1 20 8.088 13.802 -14.986 1.00 0.00 H new ATOM 0 HG SER 1 20 9.526 12.728 -16.454 1.00 0.00 H new ATOM 265 N PRO 1 21 7.087 13.839 -12.098 1.00 0.00 N ATOM 266 CA PRO 1 21 6.062 14.599 -11.376 1.00 0.00 C ATOM 267 C PRO 1 21 4.907 15.020 -12.281 1.00 0.00 C ATOM 268 O PRO 1 21 3.765 15.133 -11.835 1.00 0.00 O ATOM 269 CB PRO 1 21 6.825 15.825 -10.878 1.00 0.00 C ATOM 270 CG PRO 1 21 8.229 15.352 -10.715 1.00 0.00 C ATOM 271 CD PRO 1 21 8.449 14.309 -11.779 1.00 0.00 C ATOM 0 HA PRO 1 21 5.600 14.013 -10.582 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 6.764 16.647 -11.591 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 6.417 16.190 -9.935 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.933 16.177 -10.827 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.385 14.933 -9.721 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 8.943 14.729 -12.655 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.079 13.496 -11.418 1.00 0.00 H new ATOM 279 N ALA 1 22 5.214 15.245 -13.555 1.00 0.00 N ATOM 280 CA ALA 1 22 4.204 15.646 -14.525 1.00 0.00 C ATOM 281 C ALA 1 22 3.497 14.427 -15.107 1.00 0.00 C ATOM 282 O ALA 1 22 2.334 14.501 -15.505 1.00 0.00 O ATOM 283 CB ALA 1 22 4.836 16.473 -15.635 1.00 0.00 C ATOM 0 H ALA 1 22 6.155 15.156 -13.938 1.00 0.00 H new ATOM 0 HA ALA 1 22 3.462 16.258 -14.012 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.069 16.765 -16.352 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 5.293 17.366 -15.208 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 5.599 15.881 -16.141 1.00 0.00 H new ATOM 289 N ASN 1 23 4.207 13.304 -15.145 1.00 0.00 N ATOM 290 CA ASN 1 23 3.651 12.062 -15.668 1.00 0.00 C ATOM 291 C ASN 1 23 3.368 11.080 -14.534 1.00 0.00 C ATOM 292 O ASN 1 23 3.288 9.871 -14.750 1.00 0.00 O ATOM 293 CB ASN 1 23 4.613 11.432 -16.677 1.00 0.00 C ATOM 294 CG ASN 1 23 3.887 10.675 -17.772 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.603 9.485 -17.637 1.00 0.00 O ATOM 296 ND2 ASN 1 23 3.583 11.364 -18.866 1.00 0.00 N ATOM 0 H ASN 1 23 5.171 13.229 -14.819 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.712 12.293 -16.171 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.228 12.213 -17.125 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 5.289 10.753 -16.156 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 3.095 10.908 -19.637 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 3.838 12.349 -18.935 1.00 0.00 H new ATOM 303 N CYS 1 24 3.216 11.612 -13.325 1.00 0.00 N ATOM 304 CA CYS 1 24 2.942 10.795 -12.156 1.00 0.00 C ATOM 305 C CYS 1 24 1.534 10.229 -12.218 1.00 0.00 C ATOM 306 O CYS 1 24 0.585 10.838 -11.726 1.00 0.00 O ATOM 307 CB CYS 1 24 3.118 11.614 -10.876 1.00 0.00 C ATOM 308 SG CYS 1 24 2.755 10.687 -9.348 1.00 0.00 S ATOM 0 H CYS 1 24 3.279 12.612 -13.133 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.652 9.968 -12.146 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.143 11.983 -10.831 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.467 12.487 -10.923 1.00 0.00 H new ATOM 313 N GLN 1 25 1.409 9.062 -12.830 1.00 0.00 N ATOM 314 CA GLN 1 25 0.116 8.400 -12.967 1.00 0.00 C ATOM 315 C GLN 1 25 -0.390 7.886 -11.617 1.00 0.00 C ATOM 316 O GLN 1 25 -0.715 6.707 -11.472 1.00 0.00 O ATOM 317 CB GLN 1 25 0.218 7.242 -13.962 1.00 0.00 C ATOM 318 CG GLN 1 25 1.262 6.204 -13.583 1.00 0.00 C ATOM 319 CD GLN 1 25 1.243 4.996 -14.499 1.00 0.00 C ATOM 320 OE1 GLN 1 25 2.232 4.694 -15.167 1.00 0.00 O ATOM 321 NE2 GLN 1 25 0.114 4.298 -14.534 1.00 0.00 N ATOM 0 H GLN 1 25 2.189 8.550 -13.242 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.598 9.133 -13.341 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -0.754 6.755 -14.041 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 0.456 7.641 -14.948 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 2.251 6.662 -13.612 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 1.091 5.880 -12.557 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 -0.681 4.585 -13.963 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 0.042 3.475 -15.132 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.463 8.780 -10.635 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.937 8.424 -9.303 1.00 0.00 C ATOM 332 C ASP 1 26 -1.755 9.566 -8.709 1.00 0.00 C ATOM 333 O ASP 1 26 -1.204 10.508 -8.141 1.00 0.00 O ATOM 334 CB ASP 1 26 0.243 8.093 -8.388 1.00 0.00 C ATOM 335 CG ASP 1 26 0.895 6.771 -8.740 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.366 6.628 -9.888 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.935 5.878 -7.868 1.00 0.00 O ATOM 0 H ASP 1 26 -0.199 9.760 -10.738 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.573 7.543 -9.387 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.984 8.889 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.100 8.062 -7.354 1.00 0.00 H new ATOM 342 N ARG 1 27 -3.073 9.478 -8.854 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.971 10.506 -8.341 1.00 0.00 C ATOM 344 C ARG 1 27 -3.918 10.588 -6.817 1.00 0.00 C ATOM 345 O ARG 1 27 -4.373 11.568 -6.227 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.404 10.229 -8.796 1.00 0.00 C ATOM 347 CG ARG 1 27 -6.335 11.420 -8.638 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.062 12.483 -9.690 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.292 13.120 -10.156 1.00 0.00 N ATOM 350 CZ ARG 1 27 -7.938 14.068 -9.482 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -7.475 14.494 -8.313 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -9.049 14.594 -9.978 1.00 0.00 N ATOM 0 H ARG 1 27 -3.543 8.704 -9.323 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.641 11.464 -8.742 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.391 9.925 -9.843 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.802 9.390 -8.225 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -7.370 11.087 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.212 11.850 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.396 13.240 -9.276 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -5.544 12.031 -10.536 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.678 12.820 -11.051 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -6.620 14.094 -7.927 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -7.975 15.221 -7.801 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.409 14.272 -10.876 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -9.544 15.321 -9.461 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.367 9.558 -6.181 1.00 0.00 N ATOM 367 CA CYS 1 28 -3.268 9.527 -4.728 1.00 0.00 C ATOM 368 C CYS 1 28 -1.822 9.329 -4.281 1.00 0.00 C ATOM 369 O CYS 1 28 -1.556 8.663 -3.280 1.00 0.00 O ATOM 370 CB CYS 1 28 -4.158 8.416 -4.165 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.772 9.001 -3.552 1.00 0.00 S ATOM 0 H CYS 1 28 -2.984 8.737 -6.649 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.611 10.486 -4.341 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -4.324 7.669 -4.941 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.630 7.918 -3.351 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.889 9.913 -5.029 1.00 0.00 N ATOM 377 CA CYS 1 29 0.530 9.801 -4.708 1.00 0.00 C ATOM 378 C CYS 1 29 1.369 10.683 -5.630 1.00 0.00 C ATOM 379 O CYS 1 29 1.210 10.650 -6.850 1.00 0.00 O ATOM 380 CB CYS 1 29 0.974 8.330 -4.797 1.00 0.00 C ATOM 381 SG CYS 1 29 2.395 8.005 -5.898 1.00 0.00 S ATOM 0 H CYS 1 29 -1.091 10.468 -5.861 1.00 0.00 H new ATOM 0 HA CYS 1 29 0.686 10.150 -3.687 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.226 7.983 -3.795 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 0.128 7.733 -5.138 1.00 0.00 H new ATOM 386 N ASN 1 30 2.270 11.463 -5.038 1.00 0.00 N ATOM 387 CA ASN 1 30 3.139 12.344 -5.812 1.00 0.00 C ATOM 388 C ASN 1 30 4.600 11.898 -5.730 1.00 0.00 C ATOM 389 O ASN 1 30 5.118 11.616 -4.644 1.00 0.00 O ATOM 390 CB ASN 1 30 2.996 13.790 -5.335 1.00 0.00 C ATOM 391 CG ASN 1 30 3.596 14.023 -3.965 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.715 14.734 -3.928 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 3.060 13.571 -2.953 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.417 11.503 -4.029 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.829 12.285 -6.855 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 3.477 14.453 -6.054 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 1.939 14.057 -5.313 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 2.199 13.029 -3.030 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 3.477 13.738 -2.037 1.00 0.00 H new ATOM 400 N ALA 1 31 5.256 11.832 -6.888 1.00 0.00 N ATOM 401 CA ALA 1 31 6.655 11.421 -6.960 1.00 0.00 C ATOM 402 C ALA 1 31 7.567 12.453 -6.301 1.00 0.00 C ATOM 403 O ALA 1 31 8.590 12.106 -5.709 1.00 0.00 O ATOM 404 CB ALA 1 31 7.065 11.208 -8.410 1.00 0.00 C ATOM 0 H ALA 1 31 4.838 12.059 -7.791 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.760 10.481 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.110 10.902 -8.451 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.442 10.432 -8.854 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.937 12.138 -8.965 1.00 0.00 H new ATOM 410 N ALA 1 32 7.191 13.725 -6.416 1.00 0.00 N ATOM 411 CA ALA 1 32 7.971 14.819 -5.840 1.00 0.00 C ATOM 412 C ALA 1 32 8.343 14.546 -4.384 1.00 0.00 C ATOM 413 O ALA 1 32 9.335 15.072 -3.879 1.00 0.00 O ATOM 414 CB ALA 1 32 7.201 16.126 -5.949 1.00 0.00 C ATOM 0 H ALA 1 32 6.347 14.025 -6.905 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.898 14.898 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.792 16.934 -5.517 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.001 16.344 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.257 16.038 -5.410 1.00 0.00 H new ATOM 420 N THR 1 33 7.548 13.717 -3.716 1.00 0.00 N ATOM 421 CA THR 1 33 7.800 13.371 -2.322 1.00 0.00 C ATOM 422 C THR 1 33 8.053 11.879 -2.179 1.00 0.00 C ATOM 423 O THR 1 33 8.557 11.419 -1.155 1.00 0.00 O ATOM 424 CB THR 1 33 6.605 13.759 -1.449 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.944 13.683 -0.075 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.390 12.875 -1.671 1.00 0.00 C ATOM 0 H THR 1 33 6.723 13.272 -4.118 1.00 0.00 H new ATOM 0 HA THR 1 33 8.683 13.921 -1.996 1.00 0.00 H new ATOM 0 HB THR 1 33 6.352 14.779 -1.739 1.00 0.00 H new ATOM 0 HG1 THR 1 33 7.663 13.029 0.049 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.578 13.203 -1.022 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.074 12.946 -2.712 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.645 11.841 -1.439 1.00 0.00 H new ATOM 434 N CYS 1 34 7.668 11.125 -3.201 1.00 0.00 N ATOM 435 CA CYS 1 34 7.820 9.687 -3.180 1.00 0.00 C ATOM 436 C CYS 1 34 6.907 9.099 -2.116 1.00 0.00 C ATOM 437 O CYS 1 34 7.292 8.197 -1.377 1.00 0.00 O ATOM 438 CB CYS 1 34 9.274 9.294 -2.916 1.00 0.00 C ATOM 439 SG CYS 1 34 10.465 10.019 -4.088 1.00 0.00 S ATOM 0 H CYS 1 34 7.248 11.493 -4.054 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.541 9.288 -4.155 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.544 9.599 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.358 8.208 -2.954 1.00 0.00 H new ATOM 444 N LYS 1 35 5.686 9.622 -2.051 1.00 0.00 N ATOM 445 CA LYS 1 35 4.708 9.147 -1.080 1.00 0.00 C ATOM 446 C LYS 1 35 3.295 9.516 -1.518 1.00 0.00 C ATOM 447 O LYS 1 35 3.106 10.238 -2.497 1.00 0.00 O ATOM 448 CB LYS 1 35 4.988 9.736 0.306 1.00 0.00 C ATOM 449 CG LYS 1 35 6.402 9.490 0.806 1.00 0.00 C ATOM 450 CD LYS 1 35 6.569 9.940 2.248 1.00 0.00 C ATOM 451 CE LYS 1 35 6.319 8.798 3.221 1.00 0.00 C ATOM 452 NZ LYS 1 35 7.583 8.114 3.610 1.00 0.00 N ATOM 0 H LYS 1 35 5.352 10.372 -2.657 1.00 0.00 H new ATOM 0 HA LYS 1 35 4.791 8.062 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 4.805 10.810 0.277 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.282 9.312 1.020 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 6.638 8.429 0.725 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.111 10.023 0.173 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 7.576 10.330 2.394 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 5.878 10.756 2.458 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 5.825 9.183 4.113 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 5.640 8.076 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 7.370 7.342 4.274 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 8.042 7.725 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 8.221 8.797 4.066 1.00 0.00 H new ATOM 466 N LEU 1 36 2.306 9.020 -0.786 1.00 0.00 N ATOM 467 CA LEU 1 36 0.911 9.300 -1.096 1.00 0.00 C ATOM 468 C LEU 1 36 0.628 10.796 -1.007 1.00 0.00 C ATOM 469 O LEU 1 36 1.242 11.507 -0.211 1.00 0.00 O ATOM 470 CB LEU 1 36 -0.009 8.536 -0.141 1.00 0.00 C ATOM 471 CG LEU 1 36 0.426 7.102 0.175 1.00 0.00 C ATOM 472 CD1 LEU 1 36 1.152 7.045 1.511 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.776 6.173 0.181 1.00 0.00 C ATOM 0 H LEU 1 36 2.445 8.421 0.028 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.716 8.970 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 -0.078 9.092 0.794 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -1.010 8.509 -0.571 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.114 6.771 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 1.453 6.018 1.718 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 2.036 7.682 1.472 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.488 7.395 2.301 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.450 5.158 0.407 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.487 6.503 0.938 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -1.255 6.191 -0.798 1.00 0.00 H new ATOM 485 N THR 1 37 -0.304 11.269 -1.827 1.00 0.00 N ATOM 486 CA THR 1 37 -0.666 12.681 -1.838 1.00 0.00 C ATOM 487 C THR 1 37 -1.600 13.009 -0.676 1.00 0.00 C ATOM 488 O THR 1 37 -2.196 12.113 -0.079 1.00 0.00 O ATOM 489 CB THR 1 37 -1.333 13.047 -3.166 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.120 11.971 -3.644 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.344 13.410 -4.253 1.00 0.00 C ATOM 0 H THR 1 37 -0.822 10.695 -2.492 1.00 0.00 H new ATOM 0 HA THR 1 37 0.246 13.268 -1.725 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.947 13.921 -2.950 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.662 11.611 -2.911 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.883 13.659 -5.167 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.247 14.269 -3.935 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.317 12.564 -4.440 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.743 14.303 -0.338 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.611 14.743 0.757 1.00 0.00 C ATOM 501 C PRO 1 38 -4.012 14.149 0.652 1.00 0.00 C ATOM 502 O PRO 1 38 -4.743 14.420 -0.301 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.659 16.273 0.602 1.00 0.00 C ATOM 504 CG PRO 1 38 -2.030 16.566 -0.721 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.080 15.437 -0.991 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.233 14.421 1.727 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.686 16.638 0.637 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.118 16.765 1.410 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.785 16.635 -1.504 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.504 17.521 -0.699 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.944 15.268 -2.059 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.093 15.628 -0.570 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.377 13.334 1.636 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.686 12.709 1.635 1.00 0.00 C ATOM 515 C GLY 1 39 -5.615 11.222 1.343 1.00 0.00 C ATOM 516 O GLY 1 39 -6.511 10.465 1.719 1.00 0.00 O ATOM 0 H GLY 1 39 -3.789 13.095 2.435 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.161 12.864 2.604 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.317 13.193 0.890 1.00 0.00 H new ATOM 520 N SER 1 40 -4.547 10.803 0.670 1.00 0.00 N ATOM 521 CA SER 1 40 -4.361 9.398 0.327 1.00 0.00 C ATOM 522 C SER 1 40 -3.755 8.628 1.495 1.00 0.00 C ATOM 523 O SER 1 40 -2.698 8.993 2.010 1.00 0.00 O ATOM 524 CB SER 1 40 -3.463 9.268 -0.903 1.00 0.00 C ATOM 525 OG SER 1 40 -3.209 7.908 -1.208 1.00 0.00 O ATOM 0 H SER 1 40 -3.797 11.417 0.352 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.339 8.972 0.103 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.937 9.753 -1.756 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -2.521 9.786 -0.725 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.055 7.414 -1.230 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.431 7.562 1.910 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.959 6.742 3.020 1.00 0.00 C ATOM 533 C GLN 1 41 -3.570 5.339 2.553 1.00 0.00 C ATOM 534 O GLN 1 41 -3.437 4.426 3.367 1.00 0.00 O ATOM 535 CB GLN 1 41 -5.033 6.653 4.106 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.783 7.578 5.285 1.00 0.00 C ATOM 537 CD GLN 1 41 -5.054 6.909 6.619 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -6.131 6.136 6.685 1.00 0.00 O flip ATOM 539 NE2 GLN 1 41 -4.304 7.086 7.579 1.00 0.00 N flip ATOM 0 H GLN 1 41 -5.307 7.246 1.495 1.00 0.00 H new ATOM 0 HA GLN 1 41 -3.069 7.219 3.431 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -6.002 6.891 3.667 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -5.090 5.626 4.466 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.749 7.923 5.259 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -5.416 8.461 5.190 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -3.487 7.689 7.483 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -4.500 6.630 8.470 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.388 5.167 1.245 1.00 0.00 N ATOM 549 CA CYS 1 42 -3.015 3.866 0.699 1.00 0.00 C ATOM 550 C CYS 1 42 -2.527 3.981 -0.744 1.00 0.00 C ATOM 551 O CYS 1 42 -1.432 3.524 -1.071 1.00 0.00 O ATOM 552 CB CYS 1 42 -4.190 2.887 0.808 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.598 3.244 -0.292 1.00 0.00 S ATOM 0 H CYS 1 42 -3.492 5.906 0.550 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.185 3.478 1.289 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.827 1.882 0.593 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.546 2.884 1.838 1.00 0.00 H new ATOM 558 N ASN 1 43 -3.338 4.590 -1.602 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.994 4.768 -3.014 1.00 0.00 C ATOM 560 C ASN 1 43 -2.887 3.427 -3.749 1.00 0.00 C ATOM 561 O ASN 1 43 -3.038 3.369 -4.970 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.685 5.549 -3.144 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.277 5.765 -4.588 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.070 6.232 -5.406 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.034 5.425 -4.910 1.00 0.00 N ATOM 0 H ASN 1 43 -4.247 4.973 -1.344 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.800 5.335 -3.481 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.792 6.516 -2.652 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.892 5.012 -2.623 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 0.297 5.548 -5.867 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.590 5.041 -4.200 1.00 0.00 H new ATOM 572 N TYR 1 44 -2.632 2.356 -3.001 1.00 0.00 N ATOM 573 CA TYR 1 44 -2.507 1.017 -3.568 1.00 0.00 C ATOM 574 C TYR 1 44 -2.150 0.013 -2.473 1.00 0.00 C ATOM 575 O TYR 1 44 -1.722 0.398 -1.385 1.00 0.00 O ATOM 576 CB TYR 1 44 -1.438 0.991 -4.669 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.019 1.048 -4.144 1.00 0.00 C ATOM 578 CD1 TYR 1 44 0.595 -0.085 -3.626 1.00 0.00 C ATOM 579 CD2 TYR 1 44 0.704 2.234 -4.166 1.00 0.00 C ATOM 580 CE1 TYR 1 44 1.888 -0.038 -3.143 1.00 0.00 C ATOM 581 CE2 TYR 1 44 1.998 2.289 -3.685 1.00 0.00 C ATOM 582 CZ TYR 1 44 2.586 1.150 -3.175 1.00 0.00 C ATOM 583 OH TYR 1 44 3.874 1.201 -2.694 1.00 0.00 O ATOM 0 H TYR 1 44 -2.507 2.392 -1.989 1.00 0.00 H new ATOM 0 HA TYR 1 44 -3.465 0.741 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.561 0.084 -5.260 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -1.601 1.834 -5.341 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.052 -1.018 -3.600 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.247 3.127 -4.566 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.350 -0.928 -2.742 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 2.546 3.219 -3.708 1.00 0.00 H new ATOM 0 HH TYR 1 44 4.154 0.305 -2.413 1.00 0.00 H new ATOM 593 N GLY 1 45 -2.318 -1.272 -2.766 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.996 -2.298 -1.791 1.00 0.00 C ATOM 595 C GLY 1 45 -3.217 -3.054 -1.305 1.00 0.00 C ATOM 596 O GLY 1 45 -4.351 -2.645 -1.552 1.00 0.00 O ATOM 0 H GLY 1 45 -2.670 -1.621 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.290 -3.002 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.497 -1.838 -0.938 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.979 -4.163 -0.612 1.00 0.00 N ATOM 601 CA GLU 1 46 -4.061 -4.989 -0.087 1.00 0.00 C ATOM 602 C GLU 1 46 -4.941 -4.198 0.873 1.00 0.00 C ATOM 603 O GLU 1 46 -6.169 -4.259 0.801 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.485 -6.209 0.635 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.723 -7.521 -0.095 1.00 0.00 C ATOM 606 CD GLU 1 46 -5.178 -7.725 -0.473 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -6.047 -7.065 0.135 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.448 -8.544 -1.377 1.00 0.00 O ATOM 0 H GLU 1 46 -2.044 -4.511 -0.400 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.673 -5.315 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.413 -6.068 0.769 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.925 -6.272 1.630 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.111 -7.547 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.396 -8.348 0.536 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.304 -3.463 1.775 1.00 0.00 N ATOM 616 CA CYS 1 47 -5.025 -2.667 2.759 1.00 0.00 C ATOM 617 C CYS 1 47 -5.658 -1.432 2.121 1.00 0.00 C ATOM 618 O CYS 1 47 -6.540 -0.808 2.707 1.00 0.00 O ATOM 619 CB CYS 1 47 -4.081 -2.253 3.886 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.066 -3.400 5.299 1.00 0.00 S ATOM 0 H CYS 1 47 -3.288 -3.402 1.845 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.828 -3.280 3.168 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -3.070 -2.171 3.487 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.366 -1.262 4.239 1.00 0.00 H new ATOM 625 N CYS 1 48 -5.202 -1.075 0.923 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.729 0.091 0.229 1.00 0.00 C ATOM 627 C CYS 1 48 -7.180 -0.113 -0.196 1.00 0.00 C ATOM 628 O CYS 1 48 -7.552 -1.171 -0.705 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.884 0.398 -1.005 1.00 0.00 C ATOM 630 SG CYS 1 48 -5.341 1.953 -1.834 1.00 0.00 S ATOM 0 H CYS 1 48 -4.472 -1.576 0.416 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.688 0.929 0.925 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.835 0.446 -0.714 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.980 -0.424 -1.714 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.987 0.922 0.012 1.00 0.00 N ATOM 636 CA ASP 1 49 -9.398 0.893 -0.349 1.00 0.00 C ATOM 637 C ASP 1 49 -9.940 2.315 -0.457 1.00 0.00 C ATOM 638 O ASP 1 49 -10.168 2.980 0.553 1.00 0.00 O ATOM 639 CB ASP 1 49 -10.200 0.102 0.685 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.412 -0.579 0.080 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -11.271 -1.197 -0.996 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.504 -0.492 0.681 1.00 0.00 O ATOM 0 H ASP 1 49 -7.683 1.800 0.433 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.499 0.400 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.556 -0.649 1.143 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.523 0.773 1.481 1.00 0.00 H new ATOM 647 N GLN 1 50 -10.128 2.782 -1.688 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.628 4.133 -1.922 1.00 0.00 C ATOM 649 C GLN 1 50 -9.633 5.165 -1.399 1.00 0.00 C ATOM 650 O GLN 1 50 -10.017 6.161 -0.786 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.988 4.325 -1.248 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.905 5.283 -1.990 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.969 4.564 -2.797 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.731 3.758 -2.262 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.026 4.853 -4.091 1.00 0.00 N ATOM 0 H GLN 1 50 -9.942 2.247 -2.536 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.748 4.274 -2.996 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -12.481 3.357 -1.162 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.833 4.695 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -13.386 5.949 -1.273 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.310 5.908 -2.656 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.374 5.527 -4.492 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.721 4.401 -4.684 1.00 0.00 H new ATOM 664 N CYS 1 51 -8.351 4.909 -1.641 1.00 0.00 N ATOM 665 CA CYS 1 51 -7.287 5.802 -1.193 1.00 0.00 C ATOM 666 C CYS 1 51 -7.252 5.886 0.332 1.00 0.00 C ATOM 667 O CYS 1 51 -6.756 6.860 0.898 1.00 0.00 O ATOM 668 CB CYS 1 51 -7.462 7.198 -1.793 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.926 7.331 -3.530 1.00 0.00 S ATOM 0 H CYS 1 51 -8.023 4.087 -2.147 1.00 0.00 H new ATOM 0 HA CYS 1 51 -6.339 5.391 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -8.512 7.483 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.898 7.913 -1.194 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.775 4.855 0.990 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.799 4.803 2.448 1.00 0.00 C ATOM 676 C ARG 1 52 -7.566 3.375 2.934 1.00 0.00 C ATOM 677 O ARG 1 52 -8.192 2.436 2.443 1.00 0.00 O ATOM 678 CB ARG 1 52 -9.135 5.326 2.979 1.00 0.00 C ATOM 679 CG ARG 1 52 -9.013 6.081 4.292 1.00 0.00 C ATOM 680 CD ARG 1 52 -9.929 7.294 4.326 1.00 0.00 C ATOM 681 NE ARG 1 52 -9.344 8.402 5.078 1.00 0.00 N ATOM 682 CZ ARG 1 52 -10.047 9.425 5.558 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -11.359 9.486 5.366 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -9.437 10.390 6.232 1.00 0.00 N ATOM 0 H ARG 1 52 -8.189 4.042 0.534 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.998 5.438 2.828 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.582 5.982 2.232 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.817 4.486 3.114 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -9.259 5.415 5.120 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -7.980 6.400 4.435 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -10.139 7.619 3.307 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -10.883 7.015 4.774 1.00 0.00 H new ATOM 0 HE ARG 1 52 -8.338 8.391 5.245 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -11.834 8.746 4.848 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -11.893 10.273 5.736 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -8.429 10.348 6.383 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -9.976 11.174 6.600 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.659 3.214 3.894 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.349 1.892 4.428 1.00 0.00 C ATOM 700 C PHE 1 53 -7.584 1.230 5.014 1.00 0.00 C ATOM 701 O PHE 1 53 -8.448 1.893 5.587 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.257 1.973 5.498 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.887 2.222 4.940 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.519 1.687 3.717 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.969 2.989 5.636 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -2.264 1.912 3.198 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.708 3.220 5.121 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.355 2.680 3.899 1.00 0.00 C ATOM 0 H PHE 1 53 -6.129 3.977 4.315 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.988 1.287 3.597 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.505 2.770 6.199 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.246 1.042 6.065 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -4.225 1.086 3.164 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.241 3.411 6.592 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.990 1.488 2.243 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -1.000 3.821 5.672 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.370 2.858 3.493 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.651 -0.085 4.872 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.775 -0.846 5.397 1.00 0.00 C ATOM 720 C LYS 1 54 -8.729 -0.862 6.919 1.00 0.00 C ATOM 721 O LYS 1 54 -7.817 -1.433 7.513 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.753 -2.275 4.854 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.583 -2.459 3.593 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.888 -3.370 2.595 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.416 -3.156 1.186 1.00 0.00 C ATOM 726 NZ LYS 1 54 -9.497 -4.432 0.422 1.00 0.00 N ATOM 0 H LYS 1 54 -6.943 -0.646 4.399 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.700 -0.368 5.076 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.722 -2.560 4.645 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -9.121 -2.953 5.624 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.555 -2.878 3.854 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.768 -1.488 3.133 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.815 -3.182 2.615 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -9.035 -4.410 2.886 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.404 -2.699 1.234 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.767 -2.457 0.658 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.862 -4.242 -0.533 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.550 -4.856 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -10.136 -5.090 0.912 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.712 -0.222 7.547 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.780 -0.153 9.005 1.00 0.00 C ATOM 742 C LYS 1 55 -9.324 -1.460 9.646 1.00 0.00 C ATOM 743 O LYS 1 55 -9.823 -2.538 9.309 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.206 0.175 9.452 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.353 0.320 10.958 1.00 0.00 C ATOM 746 CD LYS 1 55 -10.974 1.716 11.423 1.00 0.00 C ATOM 747 CE LYS 1 55 -10.394 1.697 12.828 1.00 0.00 C ATOM 748 NZ LYS 1 55 -8.952 1.327 12.829 1.00 0.00 N ATOM 0 H LYS 1 55 -10.474 0.257 7.068 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.106 0.639 9.333 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.524 1.101 8.973 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.877 -0.610 9.104 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -12.382 0.106 11.246 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.723 -0.415 11.459 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -10.247 2.145 10.734 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -11.853 2.360 11.400 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -10.517 2.679 13.285 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -10.951 0.988 13.441 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -8.595 1.326 13.806 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -8.836 0.379 12.417 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -8.416 2.017 12.265 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.363 -1.357 10.566 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.834 -2.530 11.252 1.00 0.00 C ATOM 764 C ALA 1 56 -8.947 -3.518 11.559 1.00 0.00 C ATOM 765 O ALA 1 56 -9.986 -3.150 12.107 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.123 -2.134 12.532 1.00 0.00 C ATOM 0 H ALA 1 56 -7.938 -0.474 10.850 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.113 -3.008 10.589 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.738 -3.026 13.025 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.296 -1.464 12.297 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.824 -1.627 13.195 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.735 -4.764 11.177 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.746 -5.777 11.394 1.00 0.00 C ATOM 774 C GLY 1 57 -10.264 -6.334 10.086 1.00 0.00 C ATOM 775 O GLY 1 57 -10.946 -7.359 10.065 1.00 0.00 O ATOM 0 H GLY 1 57 -7.884 -5.094 10.722 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.329 -6.585 11.995 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.573 -5.351 11.962 1.00 0.00 H new ATOM 779 N THR 1 58 -9.924 -5.665 8.985 1.00 0.00 N ATOM 780 CA THR 1 58 -10.338 -6.111 7.664 1.00 0.00 C ATOM 781 C THR 1 58 -9.452 -7.264 7.199 1.00 0.00 C ATOM 782 O THR 1 58 -8.276 -7.067 6.895 1.00 0.00 O ATOM 783 CB THR 1 58 -10.251 -4.961 6.662 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.059 -3.872 7.072 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.684 -5.359 5.270 1.00 0.00 C ATOM 0 H THR 1 58 -9.363 -4.813 8.986 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.372 -6.452 7.723 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.199 -4.676 6.634 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.638 -3.421 7.834 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.600 -4.501 4.604 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.046 -6.164 4.907 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.719 -5.700 5.294 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.015 -8.467 7.155 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.259 -9.640 6.737 1.00 0.00 C ATOM 795 C VAL 1 59 -8.890 -9.567 5.259 1.00 0.00 C ATOM 796 O VAL 1 59 -9.764 -9.512 4.393 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.043 -10.945 6.990 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.361 -10.934 6.231 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.207 -12.158 6.604 1.00 0.00 C ATOM 0 H VAL 1 59 -10.987 -8.654 7.402 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.349 -9.649 7.337 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.264 -11.010 8.055 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -11.899 -11.863 6.422 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -11.965 -10.090 6.563 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.165 -10.842 5.163 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.778 -13.068 6.790 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.950 -12.101 5.546 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.294 -12.175 7.199 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.592 -9.578 4.976 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.113 -9.525 3.596 1.00 0.00 C ATOM 811 C CYS 1 60 -6.594 -10.887 3.144 1.00 0.00 C ATOM 812 O CYS 1 60 -6.582 -11.193 1.952 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.003 -8.487 3.447 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.401 -6.858 4.154 1.00 0.00 S ATOM 0 H CYS 1 60 -6.854 -9.623 5.679 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.957 -9.241 2.968 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.100 -8.867 3.925 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.776 -8.365 2.388 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.158 -11.697 4.104 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.627 -13.025 3.804 1.00 0.00 C ATOM 821 C ARG 1 61 -5.813 -13.983 4.979 1.00 0.00 C ATOM 822 O ARG 1 61 -6.224 -13.583 6.067 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.140 -12.945 3.450 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.801 -11.855 2.448 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.390 -12.024 1.905 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.371 -11.772 2.926 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.672 -10.643 3.022 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.901 -9.632 2.192 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.254 -10.521 3.962 1.00 0.00 N ATOM 0 H ARG 1 61 -6.161 -11.458 5.096 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.186 -13.408 2.950 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.568 -12.776 4.363 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.821 -13.906 3.047 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.515 -11.880 1.625 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.896 -10.879 2.923 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.271 -13.035 1.517 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.240 -11.342 1.068 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.185 -12.508 3.607 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.618 -9.716 1.472 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -0.359 -8.772 2.275 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.429 -11.290 4.608 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.792 -9.658 4.039 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.497 -15.252 4.739 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.609 -16.292 5.755 1.00 0.00 C ATOM 845 C ILE 1 62 -4.678 -17.448 5.413 1.00 0.00 C ATOM 846 O ILE 1 62 -4.744 -18.006 4.318 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.046 -16.847 5.888 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.088 -15.730 5.811 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.193 -17.609 7.196 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.287 -15.181 4.418 1.00 0.00 C ATOM 0 H ILE 1 62 -5.157 -15.587 3.838 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.335 -15.832 6.704 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.221 -17.526 5.053 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.041 -16.107 6.183 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.787 -14.918 6.473 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.209 -17.996 7.280 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -6.486 -18.439 7.215 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -6.990 -16.940 8.032 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.040 -14.393 4.442 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.346 -14.773 4.050 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.619 -15.981 3.756 1.00 0.00 H new ATOM 862 N ALA 1 63 -3.809 -17.799 6.350 1.00 0.00 N ATOM 863 CA ALA 1 63 -2.855 -18.887 6.146 1.00 0.00 C ATOM 864 C ALA 1 63 -3.525 -20.112 5.529 1.00 0.00 C ATOM 865 O ALA 1 63 -3.278 -20.447 4.371 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.178 -19.252 7.458 1.00 0.00 C ATOM 0 H ALA 1 63 -3.743 -17.347 7.262 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.097 -18.538 5.445 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -1.471 -20.064 7.289 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -1.647 -18.383 7.847 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -2.930 -19.571 8.179 1.00 0.00 H new ATOM 872 N ARG 1 64 -4.373 -20.773 6.307 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.079 -21.961 5.830 1.00 0.00 C ATOM 874 C ARG 1 64 -5.971 -22.552 6.918 1.00 0.00 C ATOM 875 O ARG 1 64 -5.720 -23.652 7.412 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.081 -23.016 5.343 1.00 0.00 C ATOM 877 CG ARG 1 64 -4.547 -23.769 4.107 1.00 0.00 C ATOM 878 CD ARG 1 64 -4.646 -22.850 2.900 1.00 0.00 C ATOM 879 NE ARG 1 64 -3.464 -22.941 2.045 1.00 0.00 N ATOM 880 CZ ARG 1 64 -3.432 -22.530 0.779 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -4.512 -22.000 0.218 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -2.316 -22.648 0.072 1.00 0.00 N ATOM 0 H ARG 1 64 -4.590 -20.510 7.268 1.00 0.00 H new ATOM 0 HA ARG 1 64 -5.714 -21.657 4.998 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.129 -22.531 5.126 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -3.899 -23.730 6.146 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -3.853 -24.581 3.891 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -5.519 -24.223 4.301 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -5.533 -23.106 2.321 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -4.772 -21.821 3.237 1.00 0.00 H new ATOM 0 HE ARG 1 64 -2.614 -23.343 2.441 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -5.373 -21.906 0.757 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -4.481 -21.687 -0.752 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -1.483 -23.054 0.498 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -2.291 -22.333 -0.898 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.016 -21.820 7.284 1.00 0.00 N ATOM 897 CA GLY 1 65 -7.927 -22.295 8.308 1.00 0.00 C ATOM 898 C GLY 1 65 -8.525 -21.168 9.122 1.00 0.00 C ATOM 899 O GLY 1 65 -9.316 -20.374 8.612 1.00 0.00 O ATOM 0 H GLY 1 65 -7.249 -20.908 6.891 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -8.729 -22.865 7.840 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -7.397 -22.977 8.973 1.00 0.00 H new ATOM 903 N ASP 1 66 -8.145 -21.096 10.392 1.00 0.00 N ATOM 904 CA ASP 1 66 -8.647 -20.056 11.281 1.00 0.00 C ATOM 905 C ASP 1 66 -7.879 -20.050 12.598 1.00 0.00 C ATOM 906 O ASP 1 66 -8.321 -20.623 13.594 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.139 -20.255 11.544 1.00 0.00 C ATOM 908 CG ASP 1 66 -10.908 -18.948 11.532 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -10.636 -18.108 10.649 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.781 -18.765 12.406 1.00 0.00 O ATOM 0 H ASP 1 66 -7.491 -21.745 10.829 1.00 0.00 H new ATOM 0 HA ASP 1 66 -8.500 -19.093 10.792 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -10.552 -20.923 10.789 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -10.273 -20.743 12.509 1.00 0.00 H new ATOM 915 N TRP 1 67 -6.726 -19.396 12.590 1.00 0.00 N ATOM 916 CA TRP 1 67 -5.879 -19.304 13.775 1.00 0.00 C ATOM 917 C TRP 1 67 -5.678 -17.847 14.165 1.00 0.00 C ATOM 918 O TRP 1 67 -6.185 -17.383 15.186 1.00 0.00 O ATOM 919 CB TRP 1 67 -4.522 -19.965 13.505 1.00 0.00 C ATOM 920 CG TRP 1 67 -4.338 -20.385 12.079 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.172 -19.571 10.997 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -4.314 -21.723 11.582 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.048 -20.323 9.858 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -4.131 -21.648 10.191 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -4.430 -22.977 12.181 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -4.061 -22.781 9.388 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -4.360 -24.105 11.384 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -4.176 -24.000 9.999 1.00 0.00 C ATOM 0 H TRP 1 67 -6.352 -18.917 11.771 1.00 0.00 H new ATOM 0 HA TRP 1 67 -6.370 -19.825 14.597 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -3.727 -19.270 13.777 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -4.417 -20.838 14.150 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.143 -18.492 11.033 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -3.915 -19.955 8.916 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -4.572 -23.066 13.248 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -3.921 -22.702 8.320 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -4.449 -25.082 11.836 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -4.124 -24.899 9.402 1.00 0.00 H new ATOM 939 N ASN 1 68 -4.941 -17.135 13.327 1.00 0.00 N ATOM 940 CA ASN 1 68 -4.664 -15.721 13.547 1.00 0.00 C ATOM 941 C ASN 1 68 -5.337 -14.881 12.467 1.00 0.00 C ATOM 942 O ASN 1 68 -5.807 -13.774 12.727 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.155 -15.457 13.549 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.359 -16.603 14.144 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.148 -17.650 13.354 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -1.937 -16.547 15.299 1.00 0.00 N flip ATOM 0 H ASN 1 68 -4.520 -17.516 12.480 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.065 -15.441 14.521 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -2.820 -15.280 12.527 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -2.951 -14.547 14.113 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.123 -15.723 15.870 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -1.402 -17.325 15.685 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.383 -15.425 11.253 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.003 -14.741 10.125 1.00 0.00 C ATOM 955 C ASP 1 69 -5.282 -13.440 9.801 1.00 0.00 C ATOM 956 O ASP 1 69 -4.827 -12.731 10.698 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.471 -14.447 10.426 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.389 -15.574 9.995 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.094 -16.741 10.328 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.403 -15.289 9.323 1.00 0.00 O ATOM 0 H ASP 1 69 -4.996 -16.341 11.027 1.00 0.00 H new ATOM 0 HA ASP 1 69 -5.932 -15.400 9.260 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.592 -14.273 11.495 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.766 -13.528 9.919 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.193 -13.125 8.514 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.539 -11.900 8.077 1.00 0.00 C ATOM 967 C ASP 1 70 -5.482 -10.719 8.224 1.00 0.00 C ATOM 968 O ASP 1 70 -6.613 -10.759 7.742 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.088 -12.023 6.624 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.083 -10.961 6.240 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.313 -9.783 6.581 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.068 -11.306 5.600 1.00 0.00 O ATOM 0 H ASP 1 70 -5.565 -13.700 7.758 1.00 0.00 H new ATOM 0 HA ASP 1 70 -3.663 -11.737 8.705 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.650 -13.008 6.465 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -4.957 -11.951 5.970 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.027 -9.676 8.908 1.00 0.00 N ATOM 978 CA TYR 1 71 -5.868 -8.510 9.127 1.00 0.00 C ATOM 979 C TYR 1 71 -5.127 -7.198 8.955 1.00 0.00 C ATOM 980 O TYR 1 71 -3.963 -7.065 9.331 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.462 -8.570 10.524 1.00 0.00 C ATOM 982 CG TYR 1 71 -7.647 -9.484 10.606 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -8.864 -9.090 10.090 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -7.546 -10.739 11.181 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -9.963 -9.914 10.146 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -8.637 -11.578 11.243 1.00 0.00 C ATOM 987 CZ TYR 1 71 -9.848 -11.162 10.725 1.00 0.00 C ATOM 988 OH TYR 1 71 -10.942 -11.995 10.784 1.00 0.00 O ATOM 0 H TYR 1 71 -4.094 -9.615 9.315 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.650 -8.538 8.368 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -5.699 -8.907 11.226 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.759 -7.567 10.832 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -8.955 -8.116 9.633 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -6.599 -11.065 11.586 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -10.909 -9.588 9.740 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -8.546 -12.555 11.694 1.00 0.00 H new ATOM 0 HH TYR 1 71 -10.690 -12.835 11.221 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.836 -6.223 8.402 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.283 -4.896 8.190 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.059 -4.200 9.527 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.610 -4.611 10.549 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.225 -4.066 7.319 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.439 -2.609 6.560 1.00 0.00 S ATOM 0 H CYS 1 72 -6.802 -6.330 8.091 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.325 -4.994 7.679 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.628 -4.701 6.530 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.069 -3.737 7.925 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.246 -3.150 9.518 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.950 -2.407 10.739 1.00 0.00 C ATOM 1010 C THR 1 73 -4.322 -0.930 10.598 1.00 0.00 C ATOM 1011 O THR 1 73 -4.041 -0.127 11.487 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.467 -2.543 11.090 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.690 -1.610 10.360 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.911 -3.923 10.810 1.00 0.00 C ATOM 0 H THR 1 73 -3.781 -2.794 8.683 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.552 -2.830 11.543 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.405 -2.354 12.162 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.745 -1.712 10.600 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.856 -3.952 11.081 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.457 -4.661 11.398 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.020 -4.151 9.750 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.954 -0.578 9.482 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.351 0.800 9.255 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.188 1.769 9.361 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.382 2.950 9.648 1.00 0.00 O ATOM 0 H GLY 1 74 -5.198 -1.223 8.731 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.801 0.886 8.266 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.117 1.077 9.979 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.977 1.271 9.130 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.784 2.107 9.204 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.778 1.746 8.112 1.00 0.00 C ATOM 1032 O LYS 1 75 0.385 2.143 8.178 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.127 1.970 10.579 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.074 2.246 11.736 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.375 2.986 12.865 1.00 0.00 C ATOM 1036 CE LYS 1 75 -2.286 3.152 14.070 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -3.647 3.612 13.678 1.00 0.00 N ATOM 0 H LYS 1 75 -2.796 0.296 8.891 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.094 3.141 9.051 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.725 0.962 10.682 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.283 2.657 10.639 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.920 2.836 11.382 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.476 1.305 12.111 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -0.478 2.441 13.158 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.052 3.966 12.514 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -2.362 2.203 14.601 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -1.845 3.870 14.762 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -4.153 3.955 14.519 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -3.567 4.383 12.985 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -4.173 2.820 13.256 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.226 0.995 7.108 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.348 0.595 6.013 1.00 0.00 C ATOM 1053 C SER 1 76 -1.114 -0.174 4.941 1.00 0.00 C ATOM 1054 O SER 1 76 -2.211 -0.678 5.185 1.00 0.00 O ATOM 1055 CB SER 1 76 0.803 -0.262 6.544 1.00 0.00 C ATOM 1056 OG SER 1 76 0.393 -1.031 7.662 1.00 0.00 O ATOM 0 H SER 1 76 -2.184 0.654 7.031 1.00 0.00 H new ATOM 0 HA SER 1 76 0.055 1.501 5.560 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.162 -0.924 5.755 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.638 0.379 6.826 1.00 0.00 H new ATOM 0 HG SER 1 76 1.146 -1.571 7.982 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.522 -0.263 3.752 1.00 0.00 N ATOM 1063 CA SER 1 77 -1.136 -0.974 2.633 1.00 0.00 C ATOM 1064 C SER 1 77 -0.787 -2.461 2.669 1.00 0.00 C ATOM 1065 O SER 1 77 -1.024 -3.184 1.700 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.679 -0.367 1.303 1.00 0.00 C ATOM 1067 OG SER 1 77 0.396 0.537 1.495 1.00 0.00 O ATOM 0 H SER 1 77 0.386 0.150 3.538 1.00 0.00 H new ATOM 0 HA SER 1 77 -2.217 -0.871 2.723 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.372 -1.162 0.624 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -1.514 0.151 0.831 1.00 0.00 H new ATOM 0 HG SER 1 77 0.669 0.909 0.630 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.222 -2.914 3.786 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.159 -4.313 3.933 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.664 -4.999 5.018 1.00 0.00 C ATOM 1076 O ASP 1 78 -0.660 -4.582 6.176 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.648 -4.424 4.262 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.526 -3.827 3.179 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.780 -2.606 3.227 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.958 -4.582 2.282 1.00 0.00 O ATOM 0 H ASP 1 78 -0.019 -2.333 4.599 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.039 -4.815 2.986 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.847 -3.918 5.207 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.909 -5.473 4.400 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.363 -6.059 4.630 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.190 -6.821 5.557 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.420 -8.035 6.081 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.255 -9.021 5.367 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.471 -7.276 4.857 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.996 -6.607 5.595 1.00 0.00 S ATOM 0 H CYS 1 79 -1.373 -6.412 3.673 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.452 -6.183 6.401 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.426 -6.978 3.809 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.517 -8.365 4.877 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.930 -7.978 7.332 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.167 -9.081 7.935 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.028 -10.302 8.264 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.106 -10.176 8.845 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.384 -8.461 9.222 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.585 -7.385 9.566 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.066 -6.833 8.253 1.00 0.00 C ATOM 0 HA PRO 1 80 0.595 -9.458 7.253 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.455 -9.201 10.020 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.386 -8.059 9.071 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.415 -7.779 10.152 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.111 -6.609 10.166 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.098 -6.488 8.316 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.465 -5.983 7.930 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.532 -11.486 7.897 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.241 -12.748 8.160 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.650 -12.847 9.624 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.595 -13.553 9.971 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.372 -13.971 7.824 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.849 -13.677 7.008 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 2.052 -13.215 7.457 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.983 -13.842 5.600 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.926 -13.082 6.406 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 2.291 -13.462 5.254 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 0.117 -14.275 4.601 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.754 -13.506 3.943 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.573 -14.320 3.298 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.884 -13.938 2.978 1.00 0.00 C ATOM 0 H TRP 1 81 0.360 -11.601 7.415 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.124 -12.745 7.521 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.062 -14.444 8.756 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -0.984 -14.695 7.286 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 2.283 -12.987 8.487 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.890 -12.754 6.473 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -0.894 -14.571 4.840 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.763 -13.210 3.695 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.090 -14.654 2.514 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.214 -13.986 1.951 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.902 -12.156 10.474 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.137 -12.166 11.917 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.473 -13.385 12.549 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.914 -13.881 13.586 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.636 -12.160 12.234 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.929 -11.674 13.639 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.650 -12.365 14.619 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -3.496 -10.477 13.745 1.00 0.00 N ATOM 0 H ASN 1 82 -0.116 -11.573 10.186 1.00 0.00 H new ATOM 0 HA ASN 1 82 -0.698 -11.261 12.337 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.153 -11.523 11.517 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.034 -13.167 12.111 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -3.717 -10.097 14.665 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.710 -9.938 12.906 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.590 -13.865 11.909 1.00 0.00 N ATOM 1148 CA HIS 1 83 1.321 -15.029 12.392 1.00 0.00 C ATOM 1149 C HIS 1 83 2.594 -14.611 13.121 1.00 0.00 C ATOM 1150 O HIS 1 83 3.320 -15.505 13.604 1.00 0.00 O ATOM 1151 CB HIS 1 83 1.666 -15.952 11.221 1.00 0.00 C ATOM 1152 CG HIS 1 83 0.479 -16.319 10.388 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -0.832 -16.424 10.713 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 0.563 -16.616 9.045 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -1.507 -16.778 9.572 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -0.644 -16.886 8.579 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 2.856 -13.392 13.202 1.00 0.00 O ATOM 0 H HIS 1 83 0.965 -13.462 11.050 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.685 -15.564 13.097 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 2.408 -15.464 10.589 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 2.125 -16.862 11.607 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -1.241 -16.269 11.634 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 1.473 -16.627 8.464 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -2.572 -16.942 9.498 1.00 0.00 H new