USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 68 ASN :FLIP amide:sc= -0.848 F(o=-11,f=-8.4) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -7.56! C(o=-11!,f=-8.4!) USER MOD Set 2.1: 1 25 GLN : amide:sc= -0.612 X(o=-13,f=-13!) USER MOD Set 2.2: 1 30 ASN : amide:sc= -8.2! C(o=-13!,f=-13!) USER MOD Set 2.3: 1 33 THR OG1 : rot -153:sc= -4.25! USER MOD Set 3.1: 1 20 SER OG : rot 84:sc= 0.434 USER MOD Set 3.2: 1 23 ASN : amide:sc= -0.582 K(o=-0.15,f=-6.5!) USER MOD Single : 1 7 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.5!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -7.05! C(o=-7.1!,f=-16!) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 175:sc= -4.4! USER MOD Single : 1 40 SER OG : rot 146:sc= 0.426 USER MOD Single : 1 41 GLN :FLIP amide:sc= -0.468 F(o=-1.2,f=-0.47) USER MOD Single : 1 43 ASN : amide:sc= -4.41! C(o=-4.4!,f=-8.4!) USER MOD Single : 1 44 TYR OH : rot -168:sc= 0.189 USER MOD Single : 1 50 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.6!) USER MOD Single : 1 54 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.00498) USER MOD Single : 1 55 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.349) USER MOD Single : 1 58 THR OG1 : rot 78:sc= 0.903 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 56:sc= 1.19 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.00432 USER MOD Single : 1 82 ASN :FLIP amide:sc= 0.27 F(o=-0.82,f=0.27) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.104 17.451 12.788 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.076 16.730 11.548 1.00 0.00 C ATOM 44 C VAL 1 4 0.103 17.200 10.710 1.00 0.00 C ATOM 45 O VAL 1 4 -0.013 18.148 9.932 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.391 16.919 10.759 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.812 15.615 10.115 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -3.513 17.444 11.647 1.00 0.00 C ATOM 0 HA VAL 1 4 -0.968 15.669 11.772 1.00 0.00 H new ATOM 0 HB VAL 1 4 -2.202 17.661 9.983 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.740 15.765 9.563 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.033 15.279 9.431 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -2.967 14.861 10.887 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.420 17.563 11.055 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -3.698 16.737 12.456 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -3.224 18.408 12.066 1.00 0.00 H new ATOM 58 N CYS 1 5 1.243 16.543 10.885 1.00 0.00 N ATOM 59 CA CYS 1 5 2.448 16.919 10.146 1.00 0.00 C ATOM 60 C CYS 1 5 2.252 16.609 8.667 1.00 0.00 C ATOM 61 O CYS 1 5 2.417 15.472 8.226 1.00 0.00 O ATOM 62 CB CYS 1 5 3.711 16.196 10.678 1.00 0.00 C ATOM 63 SG CYS 1 5 3.458 15.109 12.131 1.00 0.00 S ATOM 0 H CYS 1 5 1.361 15.756 11.523 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.606 17.988 10.287 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 4.131 15.598 9.870 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.455 16.949 10.937 1.00 0.00 H new ATOM 68 N GLY 1 6 1.873 17.638 7.912 1.00 0.00 N ATOM 69 CA GLY 1 6 1.625 17.477 6.492 1.00 0.00 C ATOM 70 C GLY 1 6 0.145 17.296 6.189 1.00 0.00 C ATOM 71 O GLY 1 6 -0.221 16.851 5.102 1.00 0.00 O ATOM 0 H GLY 1 6 1.733 18.585 8.263 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.001 18.349 5.957 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.179 16.614 6.123 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.705 17.640 7.160 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.154 17.509 7.007 1.00 0.00 C ATOM 77 C ASN 1 7 -2.541 16.053 6.791 1.00 0.00 C ATOM 78 O ASN 1 7 -1.890 15.335 6.031 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.658 18.353 5.833 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.083 19.744 6.260 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.814 20.171 7.383 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -3.751 20.460 5.363 1.00 0.00 N ATOM 0 H ASN 1 7 -0.412 18.013 8.063 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.619 17.870 7.925 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.872 18.431 5.082 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.501 17.848 5.361 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -4.063 21.404 5.593 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -3.952 20.066 4.444 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.600 15.615 7.467 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.065 14.236 7.351 1.00 0.00 C ATOM 91 C LYS 1 8 -4.117 13.811 5.892 1.00 0.00 C ATOM 92 O LYS 1 8 -5.015 14.218 5.154 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.447 14.085 7.990 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.834 12.642 8.269 1.00 0.00 C ATOM 95 CD LYS 1 8 -6.447 11.983 7.044 1.00 0.00 C ATOM 96 CE LYS 1 8 -7.542 11.001 7.429 1.00 0.00 C ATOM 97 NZ LYS 1 8 -7.630 9.864 6.472 1.00 0.00 N ATOM 0 H LYS 1 8 -4.152 16.194 8.100 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.361 13.592 7.877 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.469 14.646 8.925 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.193 14.532 7.333 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -4.953 12.082 8.582 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.544 12.608 9.095 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -6.858 12.748 6.385 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -5.671 11.463 6.483 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -7.350 10.618 8.431 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -8.500 11.521 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -8.388 9.217 6.770 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -7.839 10.227 5.520 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -6.725 9.352 6.457 1.00 0.00 H new ATOM 111 N ILE 1 9 -3.143 13.005 5.470 1.00 0.00 N ATOM 112 CA ILE 1 9 -3.100 12.557 4.075 1.00 0.00 C ATOM 113 C ILE 1 9 -4.464 12.070 3.620 1.00 0.00 C ATOM 114 O ILE 1 9 -5.085 11.219 4.257 1.00 0.00 O ATOM 115 CB ILE 1 9 -2.049 11.460 3.810 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.084 10.374 4.882 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.669 12.083 3.731 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -3.153 9.329 4.652 1.00 0.00 C ATOM 0 H ILE 1 9 -2.387 12.654 6.058 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.803 13.432 3.497 1.00 0.00 H new ATOM 0 HB ILE 1 9 -2.287 10.985 2.859 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -1.111 9.884 4.922 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.247 10.840 5.854 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.071 11.305 3.544 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.644 12.810 2.920 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.441 12.582 4.673 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -3.118 8.590 5.453 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -4.133 9.807 4.642 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.980 8.836 3.696 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.934 12.644 2.525 1.00 0.00 N ATOM 131 CA LEU 1 10 -6.238 12.305 1.984 1.00 0.00 C ATOM 132 C LEU 1 10 -6.159 11.181 0.956 1.00 0.00 C ATOM 133 O LEU 1 10 -7.131 10.903 0.255 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.881 13.556 1.373 1.00 0.00 C ATOM 135 CG LEU 1 10 -6.007 14.355 0.390 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -5.167 15.386 1.130 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -5.117 13.437 -0.439 1.00 0.00 C ATOM 0 H LEU 1 10 -4.428 13.351 1.991 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.859 11.940 2.802 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.792 13.256 0.856 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -7.179 14.220 2.185 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.676 14.878 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.557 15.939 0.416 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.823 16.077 1.659 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.519 14.881 1.846 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -4.514 14.035 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.462 12.871 0.223 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.738 12.748 -1.011 1.00 0.00 H new ATOM 149 N GLU 1 11 -5.001 10.535 0.882 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.788 9.431 -0.057 1.00 0.00 C ATOM 151 C GLU 1 11 -3.324 8.994 -0.088 1.00 0.00 C ATOM 152 O GLU 1 11 -2.784 8.703 -1.155 1.00 0.00 O ATOM 153 CB GLU 1 11 -5.213 9.838 -1.471 1.00 0.00 C ATOM 154 CG GLU 1 11 -4.388 10.982 -2.040 1.00 0.00 C ATOM 155 CD GLU 1 11 -3.404 10.523 -3.098 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -3.701 9.530 -3.795 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -2.336 11.157 -3.229 1.00 0.00 O ATOM 0 H GLU 1 11 -4.191 10.755 1.461 1.00 0.00 H new ATOM 0 HA GLU 1 11 -5.398 8.596 0.288 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -5.129 8.975 -2.131 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -6.264 10.128 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -5.056 11.728 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -3.844 11.470 -1.231 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.676 8.950 1.072 1.00 0.00 N ATOM 165 CA GLN 1 12 -1.272 8.550 1.128 1.00 0.00 C ATOM 166 C GLN 1 12 -1.052 7.340 2.042 1.00 0.00 C ATOM 167 O GLN 1 12 -1.051 6.200 1.578 1.00 0.00 O ATOM 168 CB GLN 1 12 -0.395 9.723 1.579 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.688 11.039 0.869 1.00 0.00 C ATOM 170 CD GLN 1 12 -0.534 10.955 -0.639 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -0.618 9.878 -1.227 1.00 0.00 O ATOM 172 NE2 GLN 1 12 -0.304 12.099 -1.273 1.00 0.00 N ATOM 0 H GLN 1 12 -3.092 9.182 1.974 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.982 8.255 0.120 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.525 9.866 2.652 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.651 9.462 1.417 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.704 11.354 1.107 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 -0.018 11.808 1.253 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -0.242 12.970 -0.746 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 -0.190 12.106 -2.287 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.841 7.589 3.332 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.593 6.504 4.266 1.00 0.00 C ATOM 183 C GLY 1 13 0.824 5.970 4.144 1.00 0.00 C ATOM 184 O GLY 1 13 1.112 4.848 4.560 1.00 0.00 O ATOM 0 H GLY 1 13 -0.837 8.521 3.747 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.763 6.854 5.284 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.303 5.697 4.083 1.00 0.00 H new ATOM 188 N GLU 1 14 1.700 6.792 3.559 1.00 0.00 N ATOM 189 CA GLU 1 14 3.111 6.453 3.338 1.00 0.00 C ATOM 190 C GLU 1 14 3.647 7.240 2.152 1.00 0.00 C ATOM 191 O GLU 1 14 4.849 7.479 2.040 1.00 0.00 O ATOM 192 CB GLU 1 14 3.304 4.954 3.098 1.00 0.00 C ATOM 193 CG GLU 1 14 3.738 4.192 4.339 1.00 0.00 C ATOM 194 CD GLU 1 14 3.052 2.846 4.472 1.00 0.00 C ATOM 195 OE1 GLU 1 14 1.998 2.648 3.833 1.00 0.00 O ATOM 196 OE2 GLU 1 14 3.570 1.988 5.218 1.00 0.00 O ATOM 0 H GLU 1 14 1.448 7.721 3.222 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.664 6.718 4.239 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.370 4.530 2.729 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 4.049 4.812 2.315 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.817 4.043 4.309 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.523 4.793 5.223 1.00 0.00 H new ATOM 203 N ASP 1 15 2.738 7.654 1.276 1.00 0.00 N ATOM 204 CA ASP 1 15 3.101 8.430 0.104 1.00 0.00 C ATOM 205 C ASP 1 15 3.889 9.670 0.508 1.00 0.00 C ATOM 206 O ASP 1 15 5.030 9.857 0.087 1.00 0.00 O ATOM 207 CB ASP 1 15 1.839 8.841 -0.654 1.00 0.00 C ATOM 208 CG ASP 1 15 1.975 8.666 -2.154 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.088 8.337 -2.617 1.00 0.00 O ATOM 210 OD2 ASP 1 15 0.968 8.859 -2.868 1.00 0.00 O ATOM 0 H ASP 1 15 1.740 7.462 1.360 1.00 0.00 H new ATOM 0 HA ASP 1 15 3.727 7.815 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 0.997 8.248 -0.298 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.611 9.884 -0.433 1.00 0.00 H new ATOM 215 N CYS 1 16 3.268 10.514 1.333 1.00 0.00 N ATOM 216 CA CYS 1 16 3.907 11.739 1.800 1.00 0.00 C ATOM 217 C CYS 1 16 2.900 12.654 2.498 1.00 0.00 C ATOM 218 O CYS 1 16 1.705 12.619 2.214 1.00 0.00 O ATOM 219 CB CYS 1 16 4.571 12.466 0.623 1.00 0.00 C ATOM 220 SG CYS 1 16 4.602 14.289 0.760 1.00 0.00 S ATOM 0 H CYS 1 16 2.324 10.369 1.690 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.673 11.471 2.528 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.595 12.107 0.525 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.048 12.194 -0.294 1.00 0.00 H new ATOM 225 N ASP 1 17 3.407 13.476 3.410 1.00 0.00 N ATOM 226 CA ASP 1 17 2.582 14.414 4.157 1.00 0.00 C ATOM 227 C ASP 1 17 1.554 13.677 5.000 1.00 0.00 C ATOM 228 O ASP 1 17 0.460 14.190 5.236 1.00 0.00 O ATOM 229 CB ASP 1 17 1.880 15.381 3.201 1.00 0.00 C ATOM 230 CG ASP 1 17 2.668 16.658 2.989 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.818 16.573 2.508 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.137 17.744 3.303 1.00 0.00 O ATOM 0 H ASP 1 17 4.398 13.510 3.651 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.231 14.982 4.823 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 1.725 14.889 2.241 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.894 15.627 3.596 1.00 0.00 H new ATOM 237 N CYS 1 18 1.916 12.465 5.440 1.00 0.00 N ATOM 238 CA CYS 1 18 1.035 11.615 6.255 1.00 0.00 C ATOM 239 C CYS 1 18 0.078 12.432 7.111 1.00 0.00 C ATOM 240 O CYS 1 18 -1.080 12.055 7.287 1.00 0.00 O ATOM 241 CB CYS 1 18 1.849 10.686 7.164 1.00 0.00 C ATOM 242 SG CYS 1 18 3.287 9.914 6.356 1.00 0.00 S ATOM 0 H CYS 1 18 2.825 12.046 5.242 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.450 11.021 5.553 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.194 11.254 8.028 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.194 9.900 7.540 1.00 0.00 H new ATOM 247 N GLY 1 19 0.567 13.545 7.645 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.264 14.379 8.481 1.00 0.00 C ATOM 249 C GLY 1 19 -0.661 13.682 9.756 1.00 0.00 C ATOM 250 O GLY 1 19 -0.208 14.052 10.835 1.00 0.00 O ATOM 0 H GLY 1 19 1.521 13.881 7.513 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.270 15.298 8.721 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.160 14.666 7.930 1.00 0.00 H new ATOM 254 N SER 1 20 -1.511 12.668 9.636 1.00 0.00 N ATOM 255 CA SER 1 20 -1.971 11.931 10.800 1.00 0.00 C ATOM 256 C SER 1 20 -0.788 11.482 11.647 1.00 0.00 C ATOM 257 O SER 1 20 -0.063 10.553 11.292 1.00 0.00 O ATOM 258 CB SER 1 20 -2.814 10.734 10.378 1.00 0.00 C ATOM 259 OG SER 1 20 -2.000 9.642 9.988 1.00 0.00 O ATOM 0 H SER 1 20 -1.892 12.341 8.748 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.594 12.592 11.402 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.460 10.432 11.203 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.465 11.018 9.551 1.00 0.00 H new ATOM 0 HG SER 1 20 -1.729 9.136 10.782 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.576 12.169 12.778 1.00 0.00 N ATOM 266 CA PRO 1 21 0.528 11.884 13.692 1.00 0.00 C ATOM 267 C PRO 1 21 0.644 10.406 14.033 1.00 0.00 C ATOM 268 O PRO 1 21 1.729 9.919 14.349 1.00 0.00 O ATOM 269 CB PRO 1 21 0.180 12.707 14.932 1.00 0.00 C ATOM 270 CG PRO 1 21 -0.625 13.846 14.408 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.400 13.299 13.240 1.00 0.00 C ATOM 0 HA PRO 1 21 1.494 12.138 13.255 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.387 12.118 15.653 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 1.078 13.056 15.442 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.296 14.236 15.174 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 0.018 14.670 14.099 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.397 12.973 13.537 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.529 14.048 12.458 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.471 9.689 13.950 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.470 8.261 14.234 1.00 0.00 C ATOM 281 C ALA 1 22 0.585 7.554 13.386 1.00 0.00 C ATOM 282 O ALA 1 22 1.063 6.475 13.739 1.00 0.00 O ATOM 283 CB ALA 1 22 -1.847 7.667 13.976 1.00 0.00 C ATOM 0 H ALA 1 22 -1.381 10.071 13.690 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.224 8.115 15.286 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.829 6.599 14.193 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.580 8.155 14.618 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.120 7.820 12.932 1.00 0.00 H new ATOM 289 N ASN 1 23 0.941 8.178 12.265 1.00 0.00 N ATOM 290 CA ASN 1 23 1.937 7.625 11.357 1.00 0.00 C ATOM 291 C ASN 1 23 3.173 8.526 11.274 1.00 0.00 C ATOM 292 O ASN 1 23 4.239 8.086 10.844 1.00 0.00 O ATOM 293 CB ASN 1 23 1.330 7.439 9.965 1.00 0.00 C ATOM 294 CG ASN 1 23 -0.079 6.878 10.014 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -0.964 7.447 10.652 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -0.293 5.755 9.338 1.00 0.00 N ATOM 0 H ASN 1 23 0.551 9.071 11.965 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.250 6.656 11.747 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.318 8.398 9.447 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.964 6.770 9.383 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -1.221 5.331 9.334 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 0.470 5.317 8.822 1.00 0.00 H new ATOM 303 N CYS 1 24 3.026 9.788 11.687 1.00 0.00 N ATOM 304 CA CYS 1 24 4.133 10.747 11.659 1.00 0.00 C ATOM 305 C CYS 1 24 5.347 10.199 12.402 1.00 0.00 C ATOM 306 O CYS 1 24 5.495 10.397 13.608 1.00 0.00 O ATOM 307 CB CYS 1 24 3.686 12.081 12.277 1.00 0.00 C ATOM 308 SG CYS 1 24 4.711 13.529 11.836 1.00 0.00 S ATOM 0 H CYS 1 24 2.150 10.169 12.045 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.419 10.914 10.621 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.658 12.278 11.972 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.682 11.977 13.362 1.00 0.00 H new ATOM 313 N GLN 1 25 6.213 9.503 11.669 1.00 0.00 N ATOM 314 CA GLN 1 25 7.417 8.916 12.246 1.00 0.00 C ATOM 315 C GLN 1 25 7.065 7.777 13.199 1.00 0.00 C ATOM 316 O GLN 1 25 7.327 7.854 14.400 1.00 0.00 O ATOM 317 CB GLN 1 25 8.233 9.983 12.982 1.00 0.00 C ATOM 318 CG GLN 1 25 8.451 11.249 12.170 1.00 0.00 C ATOM 319 CD GLN 1 25 9.836 11.318 11.557 1.00 0.00 C ATOM 320 OE1 GLN 1 25 10.807 10.826 12.132 1.00 0.00 O ATOM 321 NE2 GLN 1 25 9.933 11.931 10.383 1.00 0.00 N ATOM 0 H GLN 1 25 6.101 9.332 10.670 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.018 8.511 11.432 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.725 10.240 13.911 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.202 9.564 13.254 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.704 11.301 11.378 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 8.298 12.118 12.810 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 9.101 12.324 9.943 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 10.839 12.008 9.921 1.00 0.00 H new ATOM 330 N ASP 1 26 6.468 6.717 12.658 1.00 0.00 N ATOM 331 CA ASP 1 26 6.083 5.564 13.466 1.00 0.00 C ATOM 332 C ASP 1 26 5.442 4.474 12.610 1.00 0.00 C ATOM 333 O ASP 1 26 6.011 3.396 12.433 1.00 0.00 O ATOM 334 CB ASP 1 26 5.115 5.991 14.571 1.00 0.00 C ATOM 335 CG ASP 1 26 5.352 5.242 15.868 1.00 0.00 C ATOM 336 OD1 ASP 1 26 6.435 5.418 16.465 1.00 0.00 O ATOM 337 OD2 ASP 1 26 4.455 4.481 16.286 1.00 0.00 O ATOM 0 H ASP 1 26 6.241 6.633 11.667 1.00 0.00 H new ATOM 0 HA ASP 1 26 6.988 5.156 13.916 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 5.220 7.061 14.748 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 4.091 5.822 14.239 1.00 0.00 H new ATOM 342 N ARG 1 27 4.251 4.755 12.090 1.00 0.00 N ATOM 343 CA ARG 1 27 3.528 3.793 11.264 1.00 0.00 C ATOM 344 C ARG 1 27 4.071 3.761 9.837 1.00 0.00 C ATOM 345 O ARG 1 27 3.343 4.024 8.878 1.00 0.00 O ATOM 346 CB ARG 1 27 2.035 4.130 11.247 1.00 0.00 C ATOM 347 CG ARG 1 27 1.137 2.908 11.150 1.00 0.00 C ATOM 348 CD ARG 1 27 -0.278 3.218 11.613 1.00 0.00 C ATOM 349 NE ARG 1 27 -0.898 2.076 12.281 1.00 0.00 N ATOM 350 CZ ARG 1 27 -0.620 1.706 13.529 1.00 0.00 C ATOM 351 NH1 ARG 1 27 0.266 2.385 14.248 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -1.230 0.656 14.060 1.00 0.00 N ATOM 0 H ARG 1 27 3.766 5.642 12.226 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.671 2.805 11.701 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.785 4.683 12.153 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 1.829 4.790 10.404 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.114 2.553 10.120 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 1.551 2.102 11.756 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -0.258 4.069 12.294 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -0.884 3.509 10.755 1.00 0.00 H new ATOM 0 HE ARG 1 27 -1.584 1.530 11.760 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 0.737 3.195 13.844 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 0.475 2.097 15.204 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -1.912 0.132 13.512 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -1.017 0.372 15.016 1.00 0.00 H new ATOM 366 N CYS 1 28 5.353 3.430 9.701 1.00 0.00 N ATOM 367 CA CYS 1 28 5.998 3.354 8.390 1.00 0.00 C ATOM 368 C CYS 1 28 5.651 4.565 7.523 1.00 0.00 C ATOM 369 O CYS 1 28 5.616 4.466 6.298 1.00 0.00 O ATOM 370 CB CYS 1 28 5.577 2.074 7.662 1.00 0.00 C ATOM 371 SG CYS 1 28 5.497 0.592 8.719 1.00 0.00 S ATOM 0 H CYS 1 28 5.968 3.209 10.484 1.00 0.00 H new ATOM 0 HA CYS 1 28 7.075 3.345 8.557 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 4.599 2.234 7.209 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 6.278 1.887 6.849 1.00 0.00 H new ATOM 376 N CYS 1 29 5.374 5.700 8.160 1.00 0.00 N ATOM 377 CA CYS 1 29 5.004 6.910 7.428 1.00 0.00 C ATOM 378 C CYS 1 29 5.757 8.136 7.925 1.00 0.00 C ATOM 379 O CYS 1 29 6.006 8.291 9.120 1.00 0.00 O ATOM 380 CB CYS 1 29 3.498 7.143 7.563 1.00 0.00 C ATOM 381 SG CYS 1 29 2.729 7.978 6.140 1.00 0.00 S ATOM 0 H CYS 1 29 5.398 5.808 9.174 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.274 6.762 6.382 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.007 6.181 7.712 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.314 7.737 8.458 1.00 0.00 H new ATOM 386 N ASN 1 30 6.099 9.014 6.988 1.00 0.00 N ATOM 387 CA ASN 1 30 6.805 10.245 7.304 1.00 0.00 C ATOM 388 C ASN 1 30 5.925 11.449 7.037 1.00 0.00 C ATOM 389 O ASN 1 30 5.869 11.965 5.921 1.00 0.00 O ATOM 390 CB ASN 1 30 8.093 10.356 6.494 1.00 0.00 C ATOM 391 CG ASN 1 30 9.224 9.542 7.087 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.963 8.869 6.368 1.00 0.00 O ATOM 393 ND2 ASN 1 30 9.365 9.599 8.405 1.00 0.00 N ATOM 0 H ASN 1 30 5.895 8.892 5.996 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.060 10.221 8.364 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 7.906 10.022 5.473 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.394 11.402 6.437 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.109 9.072 8.862 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 8.729 10.170 8.962 1.00 0.00 H new ATOM 400 N ALA 1 31 5.262 11.905 8.082 1.00 0.00 N ATOM 401 CA ALA 1 31 4.401 13.071 7.989 1.00 0.00 C ATOM 402 C ALA 1 31 5.259 14.323 8.058 1.00 0.00 C ATOM 403 O ALA 1 31 4.868 15.395 7.598 1.00 0.00 O ATOM 404 CB ALA 1 31 3.358 13.058 9.100 1.00 0.00 C ATOM 0 H ALA 1 31 5.303 11.484 9.010 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.865 13.057 7.040 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.723 13.940 9.013 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.746 12.160 9.014 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.858 13.065 10.069 1.00 0.00 H new ATOM 410 N ALA 1 32 6.450 14.155 8.624 1.00 0.00 N ATOM 411 CA ALA 1 32 7.407 15.241 8.751 1.00 0.00 C ATOM 412 C ALA 1 32 8.509 15.111 7.704 1.00 0.00 C ATOM 413 O ALA 1 32 9.379 15.975 7.595 1.00 0.00 O ATOM 414 CB ALA 1 32 8.009 15.244 10.146 1.00 0.00 C ATOM 0 H ALA 1 32 6.775 13.266 9.005 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.885 16.184 8.587 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.725 16.061 10.232 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.217 15.376 10.884 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.517 14.296 10.325 1.00 0.00 H new ATOM 420 N THR 1 33 8.481 14.011 6.951 1.00 0.00 N ATOM 421 CA THR 1 33 9.492 13.758 5.935 1.00 0.00 C ATOM 422 C THR 1 33 8.879 13.573 4.546 1.00 0.00 C ATOM 423 O THR 1 33 9.590 13.301 3.579 1.00 0.00 O ATOM 424 CB THR 1 33 10.317 12.534 6.331 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.938 12.072 7.618 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.792 12.810 6.377 1.00 0.00 C ATOM 0 H THR 1 33 7.769 13.285 7.028 1.00 0.00 H new ATOM 0 HA THR 1 33 10.141 14.632 5.878 1.00 0.00 H new ATOM 0 HB THR 1 33 10.118 11.787 5.562 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.695 11.611 8.036 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.323 11.903 6.664 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.132 13.134 5.393 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.993 13.594 7.107 1.00 0.00 H new ATOM 434 N CYS 1 34 7.566 13.746 4.449 1.00 0.00 N ATOM 435 CA CYS 1 34 6.865 13.624 3.175 1.00 0.00 C ATOM 436 C CYS 1 34 7.241 12.340 2.430 1.00 0.00 C ATOM 437 O CYS 1 34 7.611 12.375 1.257 1.00 0.00 O ATOM 438 CB CYS 1 34 7.152 14.862 2.312 1.00 0.00 C ATOM 439 SG CYS 1 34 6.565 14.766 0.585 1.00 0.00 S ATOM 0 H CYS 1 34 6.963 13.972 5.240 1.00 0.00 H new ATOM 0 HA CYS 1 34 5.796 13.564 3.380 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 6.693 15.729 2.786 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.228 15.036 2.303 1.00 0.00 H new ATOM 444 N LYS 1 35 7.146 11.199 3.107 1.00 0.00 N ATOM 445 CA LYS 1 35 7.472 9.928 2.468 1.00 0.00 C ATOM 446 C LYS 1 35 7.265 8.746 3.403 1.00 0.00 C ATOM 447 O LYS 1 35 6.870 8.901 4.555 1.00 0.00 O ATOM 448 CB LYS 1 35 8.917 9.938 1.973 1.00 0.00 C ATOM 449 CG LYS 1 35 9.038 9.903 0.459 1.00 0.00 C ATOM 450 CD LYS 1 35 9.508 8.543 -0.030 1.00 0.00 C ATOM 451 CE LYS 1 35 10.958 8.583 -0.485 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.641 7.276 -0.282 1.00 0.00 N ATOM 0 H LYS 1 35 6.851 11.128 4.081 1.00 0.00 H new ATOM 0 HA LYS 1 35 6.792 9.812 1.624 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.416 10.831 2.349 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.442 9.080 2.392 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.073 10.139 0.010 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 9.738 10.671 0.131 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.397 7.810 0.769 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.876 8.214 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.000 8.854 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.490 9.359 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 12.627 7.346 -0.605 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.624 7.029 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.150 6.539 -0.827 1.00 0.00 H new ATOM 466 N LEU 1 36 7.553 7.559 2.892 1.00 0.00 N ATOM 467 CA LEU 1 36 7.433 6.338 3.679 1.00 0.00 C ATOM 468 C LEU 1 36 8.746 6.081 4.415 1.00 0.00 C ATOM 469 O LEU 1 36 9.799 6.562 3.996 1.00 0.00 O ATOM 470 CB LEU 1 36 7.082 5.147 2.787 1.00 0.00 C ATOM 471 CG LEU 1 36 8.064 4.878 1.645 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.282 3.382 1.471 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.557 5.500 0.353 1.00 0.00 C ATOM 0 H LEU 1 36 7.872 7.413 1.934 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.628 6.462 4.403 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.019 4.254 3.409 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.092 5.311 2.362 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.021 5.336 1.895 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.983 3.209 0.655 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.688 2.964 2.392 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.332 2.900 1.241 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.266 5.300 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.589 5.069 0.097 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 7.452 6.577 0.484 1.00 0.00 H new ATOM 485 N THR 1 37 8.685 5.344 5.517 1.00 0.00 N ATOM 486 CA THR 1 37 9.885 5.062 6.302 1.00 0.00 C ATOM 487 C THR 1 37 10.391 3.639 6.080 1.00 0.00 C ATOM 488 O THR 1 37 9.660 2.776 5.594 1.00 0.00 O ATOM 489 CB THR 1 37 9.604 5.289 7.785 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.357 4.734 8.148 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.576 6.749 8.164 1.00 0.00 C ATOM 0 H THR 1 37 7.828 4.933 5.887 1.00 0.00 H new ATOM 0 HA THR 1 37 10.665 5.746 5.967 1.00 0.00 H new ATOM 0 HB THR 1 37 10.423 4.802 8.314 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.231 4.817 9.116 1.00 0.00 H new ATOM 0 HG21 THR 1 37 9.372 6.844 9.230 1.00 0.00 H new ATOM 0 HG22 THR 1 37 10.541 7.202 7.937 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.795 7.257 7.598 1.00 0.00 H new ATOM 499 N PRO 1 38 11.663 3.379 6.444 1.00 0.00 N ATOM 500 CA PRO 1 38 12.281 2.058 6.293 1.00 0.00 C ATOM 501 C PRO 1 38 11.350 0.927 6.709 1.00 0.00 C ATOM 502 O PRO 1 38 10.541 1.078 7.625 1.00 0.00 O ATOM 503 CB PRO 1 38 13.484 2.139 7.229 1.00 0.00 C ATOM 504 CG PRO 1 38 13.879 3.574 7.197 1.00 0.00 C ATOM 505 CD PRO 1 38 12.601 4.357 7.035 1.00 0.00 C ATOM 0 HA PRO 1 38 12.537 1.837 5.257 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.225 1.820 8.239 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.296 1.495 6.890 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.395 3.856 8.115 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.564 3.771 6.372 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.238 4.733 7.992 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.740 5.221 6.385 1.00 0.00 H new ATOM 513 N GLY 1 39 11.463 -0.203 6.022 1.00 0.00 N ATOM 514 CA GLY 1 39 10.617 -1.341 6.324 1.00 0.00 C ATOM 515 C GLY 1 39 9.364 -1.361 5.471 1.00 0.00 C ATOM 516 O GLY 1 39 8.757 -2.413 5.268 1.00 0.00 O ATOM 0 H GLY 1 39 12.126 -0.351 5.261 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 11.178 -2.262 6.165 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 10.338 -1.316 7.377 1.00 0.00 H new ATOM 520 N SER 1 40 8.979 -0.192 4.967 1.00 0.00 N ATOM 521 CA SER 1 40 7.797 -0.068 4.127 1.00 0.00 C ATOM 522 C SER 1 40 8.148 -0.324 2.664 1.00 0.00 C ATOM 523 O SER 1 40 8.762 0.517 2.008 1.00 0.00 O ATOM 524 CB SER 1 40 7.183 1.327 4.284 1.00 0.00 C ATOM 525 OG SER 1 40 5.768 1.263 4.302 1.00 0.00 O ATOM 0 H SER 1 40 9.473 0.686 5.128 1.00 0.00 H new ATOM 0 HA SER 1 40 7.069 -0.815 4.444 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.541 1.783 5.207 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.511 1.966 3.464 1.00 0.00 H new ATOM 0 HG SER 1 40 5.417 1.953 4.903 1.00 0.00 H new ATOM 531 N GLN 1 41 7.756 -1.490 2.158 1.00 0.00 N ATOM 532 CA GLN 1 41 8.034 -1.851 0.772 1.00 0.00 C ATOM 533 C GLN 1 41 7.156 -1.050 -0.180 1.00 0.00 C ATOM 534 O GLN 1 41 7.536 -0.784 -1.320 1.00 0.00 O ATOM 535 CB GLN 1 41 7.803 -3.349 0.552 1.00 0.00 C ATOM 536 CG GLN 1 41 9.056 -4.191 0.731 1.00 0.00 C ATOM 537 CD GLN 1 41 9.681 -4.594 -0.590 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.835 -3.631 -1.491 1.00 0.00 O flip ATOM 539 NE2 GLN 1 41 10.021 -5.759 -0.799 1.00 0.00 N flip ATOM 0 H GLN 1 41 7.246 -2.199 2.685 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.079 -1.618 0.566 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.039 -3.696 1.248 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.412 -3.504 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.785 -3.631 1.318 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.809 -5.087 1.300 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 9.884 -6.467 -0.078 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.440 -6.016 -1.693 1.00 0.00 H new ATOM 548 N CYS 1 42 5.978 -0.668 0.298 1.00 0.00 N ATOM 549 CA CYS 1 42 5.043 0.103 -0.507 1.00 0.00 C ATOM 550 C CYS 1 42 4.149 0.959 0.377 1.00 0.00 C ATOM 551 O CYS 1 42 3.697 0.519 1.435 1.00 0.00 O ATOM 552 CB CYS 1 42 4.190 -0.828 -1.364 1.00 0.00 C ATOM 553 SG CYS 1 42 3.000 0.038 -2.434 1.00 0.00 S ATOM 0 H CYS 1 42 5.649 -0.880 1.240 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.617 0.761 -1.160 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.847 -1.437 -1.986 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.646 -1.511 -0.711 1.00 0.00 H new ATOM 558 N ASN 1 43 3.897 2.185 -0.062 1.00 0.00 N ATOM 559 CA ASN 1 43 3.055 3.102 0.690 1.00 0.00 C ATOM 560 C ASN 1 43 1.601 2.658 0.641 1.00 0.00 C ATOM 561 O ASN 1 43 0.872 2.757 1.628 1.00 0.00 O ATOM 562 CB ASN 1 43 3.186 4.521 0.133 1.00 0.00 C ATOM 563 CG ASN 1 43 2.907 4.586 -1.356 1.00 0.00 C ATOM 564 OD1 ASN 1 43 3.229 3.660 -2.100 1.00 0.00 O ATOM 565 ND2 ASN 1 43 2.303 5.683 -1.798 1.00 0.00 N ATOM 0 H ASN 1 43 4.264 2.566 -0.934 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.386 3.096 1.728 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.495 5.180 0.658 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.192 4.893 0.328 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.088 5.782 -2.790 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 2.054 6.426 -1.145 1.00 0.00 H new ATOM 572 N TYR 1 44 1.192 2.166 -0.519 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.172 1.699 -0.722 1.00 0.00 C ATOM 574 C TYR 1 44 -0.345 1.187 -2.145 1.00 0.00 C ATOM 575 O TYR 1 44 0.510 1.412 -3.002 1.00 0.00 O ATOM 576 CB TYR 1 44 -1.170 2.827 -0.454 1.00 0.00 C ATOM 577 CG TYR 1 44 -1.118 3.922 -1.493 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.629 3.715 -2.767 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.547 5.153 -1.203 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.574 4.703 -3.725 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.488 6.151 -2.153 1.00 0.00 C ATOM 582 CZ TYR 1 44 -1.003 5.923 -3.416 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.945 6.914 -4.368 1.00 0.00 O ATOM 0 H TYR 1 44 1.791 2.079 -1.340 1.00 0.00 H new ATOM 0 HA TYR 1 44 -0.365 0.885 -0.023 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -2.178 2.413 -0.421 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.970 3.256 0.528 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -2.077 2.763 -3.011 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.142 5.332 -0.218 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.975 4.525 -4.712 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -0.042 7.105 -1.912 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.351 7.630 -4.059 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.455 0.509 -2.398 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.710 -0.011 -3.724 1.00 0.00 C ATOM 595 C GLY 1 45 -2.306 -1.401 -3.701 1.00 0.00 C ATOM 596 O GLY 1 45 -2.663 -1.918 -2.643 1.00 0.00 O ATOM 0 H GLY 1 45 -2.182 0.310 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.388 0.662 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.778 -0.029 -4.288 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.418 -2.002 -4.877 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.982 -3.340 -5.005 1.00 0.00 C ATOM 602 C GLU 1 46 -2.208 -4.359 -4.173 1.00 0.00 C ATOM 603 O GLU 1 46 -2.801 -5.186 -3.480 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.978 -3.771 -6.469 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.139 -3.211 -7.273 1.00 0.00 C ATOM 606 CD GLU 1 46 -3.787 -2.990 -8.731 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -2.916 -3.720 -9.248 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.382 -2.086 -9.354 1.00 0.00 O ATOM 0 H GLU 1 46 -2.125 -1.583 -5.760 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.006 -3.303 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.042 -3.454 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.005 -4.860 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.985 -3.895 -7.207 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.458 -2.266 -6.833 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.885 -4.307 -4.261 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.033 -5.240 -3.531 1.00 0.00 C ATOM 617 C CYS 1 47 0.619 -4.581 -2.323 1.00 0.00 C ATOM 618 O CYS 1 47 1.731 -4.938 -1.947 1.00 0.00 O ATOM 619 CB CYS 1 47 1.058 -5.777 -4.455 1.00 0.00 C ATOM 620 SG CYS 1 47 0.596 -7.286 -5.352 1.00 0.00 S ATOM 0 H CYS 1 47 -0.378 -3.629 -4.830 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.665 -6.055 -3.178 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.320 -5.004 -5.177 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.952 -5.978 -3.865 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.059 -3.616 -1.721 1.00 0.00 N ATOM 626 CA CYS 1 48 0.500 -2.923 -0.567 1.00 0.00 C ATOM 627 C CYS 1 48 -0.447 -2.968 0.625 1.00 0.00 C ATOM 628 O CYS 1 48 -1.580 -2.493 0.553 1.00 0.00 O ATOM 629 CB CYS 1 48 0.827 -1.478 -0.942 1.00 0.00 C ATOM 630 SG CYS 1 48 1.480 -1.290 -2.635 1.00 0.00 S ATOM 0 H CYS 1 48 -0.985 -3.297 -2.006 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.417 -3.433 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -0.074 -0.873 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.557 -1.085 -0.235 1.00 0.00 H new ATOM 635 N ASP 1 49 0.032 -3.546 1.723 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.764 -3.661 2.938 1.00 0.00 C ATOM 637 C ASP 1 49 0.100 -3.467 4.180 1.00 0.00 C ATOM 638 O ASP 1 49 1.102 -4.157 4.370 1.00 0.00 O ATOM 639 CB ASP 1 49 -1.456 -5.024 2.992 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.462 -5.117 4.123 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -3.468 -4.378 4.085 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -2.243 -5.929 5.047 1.00 0.00 O ATOM 0 H ASP 1 49 0.969 -3.942 1.795 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.520 -2.876 2.920 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.961 -5.210 2.044 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.705 -5.805 3.112 1.00 0.00 H new ATOM 647 N GLN 1 50 -0.302 -2.522 5.023 1.00 0.00 N ATOM 648 CA GLN 1 50 0.417 -2.221 6.255 1.00 0.00 C ATOM 649 C GLN 1 50 1.768 -1.574 5.962 1.00 0.00 C ATOM 650 O GLN 1 50 1.891 -0.349 5.969 1.00 0.00 O ATOM 651 CB GLN 1 50 0.602 -3.491 7.095 1.00 0.00 C ATOM 652 CG GLN 1 50 -0.303 -3.550 8.314 1.00 0.00 C ATOM 653 CD GLN 1 50 0.357 -4.229 9.498 1.00 0.00 C ATOM 654 OE1 GLN 1 50 1.532 -4.593 9.444 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -0.398 -4.404 10.577 1.00 0.00 N ATOM 0 H GLN 1 50 -1.130 -1.946 4.873 1.00 0.00 H new ATOM 0 HA GLN 1 50 -0.180 -1.510 6.825 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.411 -4.362 6.468 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.640 -3.554 7.420 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -0.593 -2.538 8.596 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -1.218 -4.084 8.057 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -1.367 -4.087 10.578 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -0.008 -4.856 11.404 1.00 0.00 H new ATOM 664 N CYS 1 51 2.778 -2.401 5.707 1.00 0.00 N ATOM 665 CA CYS 1 51 4.123 -1.902 5.418 1.00 0.00 C ATOM 666 C CYS 1 51 4.924 -2.899 4.581 1.00 0.00 C ATOM 667 O CYS 1 51 6.155 -2.879 4.597 1.00 0.00 O ATOM 668 CB CYS 1 51 4.881 -1.615 6.721 1.00 0.00 C ATOM 669 SG CYS 1 51 4.011 -0.513 7.884 1.00 0.00 S ATOM 0 H CYS 1 51 2.693 -3.417 5.694 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.010 -0.980 4.847 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.085 -2.561 7.222 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.845 -1.171 6.474 1.00 0.00 H new ATOM 674 N ARG 1 52 4.232 -3.772 3.854 1.00 0.00 N ATOM 675 CA ARG 1 52 4.906 -4.767 3.024 1.00 0.00 C ATOM 676 C ARG 1 52 4.027 -5.202 1.855 1.00 0.00 C ATOM 677 O ARG 1 52 2.832 -4.910 1.823 1.00 0.00 O ATOM 678 CB ARG 1 52 5.291 -5.985 3.867 1.00 0.00 C ATOM 679 CG ARG 1 52 6.642 -6.577 3.500 1.00 0.00 C ATOM 680 CD ARG 1 52 7.740 -6.073 4.423 1.00 0.00 C ATOM 681 NE ARG 1 52 9.064 -6.511 3.988 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.503 -7.763 4.093 1.00 0.00 C ATOM 683 NH1 ARG 1 52 8.727 -8.704 4.617 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.721 -8.076 3.673 1.00 0.00 N ATOM 0 H ARG 1 52 3.213 -3.811 3.822 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.808 -4.308 2.619 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 5.303 -5.699 4.919 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 4.525 -6.752 3.753 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.591 -7.664 3.554 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.885 -6.320 2.469 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.712 -4.984 4.459 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.555 -6.430 5.436 1.00 0.00 H new ATOM 0 HE ARG 1 52 9.689 -5.816 3.580 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.789 -8.469 4.942 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 9.069 -9.662 4.695 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.322 -7.357 3.269 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.057 -9.036 3.754 1.00 0.00 H new ATOM 698 N PHE 1 53 4.628 -5.905 0.896 1.00 0.00 N ATOM 699 CA PHE 1 53 3.894 -6.381 -0.271 1.00 0.00 C ATOM 700 C PHE 1 53 2.959 -7.520 0.107 1.00 0.00 C ATOM 701 O PHE 1 53 3.288 -8.351 0.953 1.00 0.00 O ATOM 702 CB PHE 1 53 4.856 -6.847 -1.369 1.00 0.00 C ATOM 703 CG PHE 1 53 5.531 -5.721 -2.096 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.809 -4.609 -2.489 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.884 -5.776 -2.389 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.418 -3.572 -3.159 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.502 -4.738 -3.062 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.767 -3.634 -3.447 1.00 0.00 C ATOM 0 H PHE 1 53 5.617 -6.156 0.905 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.302 -5.549 -0.652 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.617 -7.489 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.306 -7.454 -2.088 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.753 -4.553 -2.267 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.462 -6.638 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.841 -2.710 -3.459 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.557 -4.791 -3.286 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.246 -2.821 -3.972 1.00 0.00 H new ATOM 718 N LYS 1 54 1.795 -7.559 -0.530 1.00 0.00 N ATOM 719 CA LYS 1 54 0.820 -8.607 -0.258 1.00 0.00 C ATOM 720 C LYS 1 54 1.373 -9.966 -0.673 1.00 0.00 C ATOM 721 O LYS 1 54 1.320 -10.330 -1.844 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.488 -8.324 -1.000 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.376 -7.308 -0.301 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.036 -7.902 0.933 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.467 -7.411 1.089 1.00 0.00 C ATOM 726 NZ LYS 1 54 -4.299 -8.366 1.873 1.00 0.00 N ATOM 0 H LYS 1 54 1.505 -6.881 -1.235 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.619 -8.622 0.813 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.257 -7.963 -2.002 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -1.039 -9.257 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -0.782 -6.440 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -2.143 -6.957 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.029 -8.990 0.863 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -1.460 -7.636 1.819 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.466 -6.440 1.584 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -3.911 -7.267 0.104 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -5.191 -7.906 2.146 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.505 -9.204 1.293 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -3.783 -8.655 2.728 1.00 0.00 H new ATOM 740 N LYS 1 55 1.909 -10.708 0.296 1.00 0.00 N ATOM 741 CA LYS 1 55 2.486 -12.032 0.042 1.00 0.00 C ATOM 742 C LYS 1 55 1.859 -12.701 -1.179 1.00 0.00 C ATOM 743 O LYS 1 55 0.633 -12.793 -1.290 1.00 0.00 O ATOM 744 CB LYS 1 55 2.310 -12.928 1.270 1.00 0.00 C ATOM 745 CG LYS 1 55 3.020 -14.266 1.153 1.00 0.00 C ATOM 746 CD LYS 1 55 3.152 -14.947 2.506 1.00 0.00 C ATOM 747 CE LYS 1 55 4.435 -14.538 3.213 1.00 0.00 C ATOM 748 NZ LYS 1 55 4.200 -13.456 4.208 1.00 0.00 N ATOM 0 H LYS 1 55 1.956 -10.414 1.271 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.548 -11.892 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 2.684 -12.403 2.149 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.246 -13.103 1.432 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 2.469 -14.913 0.471 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.010 -14.117 0.721 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 2.295 -14.691 3.129 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 3.138 -16.029 2.373 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 4.865 -15.405 3.714 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.164 -14.201 2.476 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 4.976 -13.447 4.901 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 4.161 -12.538 3.720 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 3.299 -13.626 4.699 1.00 0.00 H new ATOM 762 N ALA 1 56 2.709 -13.159 -2.100 1.00 0.00 N ATOM 763 CA ALA 1 56 2.241 -13.812 -3.316 1.00 0.00 C ATOM 764 C ALA 1 56 1.096 -14.764 -3.014 1.00 0.00 C ATOM 765 O ALA 1 56 1.194 -15.609 -2.124 1.00 0.00 O ATOM 766 CB ALA 1 56 3.372 -14.561 -3.995 1.00 0.00 C ATOM 0 H ALA 1 56 3.724 -13.088 -2.024 1.00 0.00 H new ATOM 0 HA ALA 1 56 1.880 -13.036 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 2.999 -15.040 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.167 -13.862 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 3.764 -15.320 -3.318 1.00 0.00 H new ATOM 772 N GLY 1 57 0.005 -14.606 -3.742 1.00 0.00 N ATOM 773 CA GLY 1 57 -1.154 -15.446 -3.518 1.00 0.00 C ATOM 774 C GLY 1 57 -2.340 -14.641 -3.033 1.00 0.00 C ATOM 775 O GLY 1 57 -3.461 -15.146 -2.975 1.00 0.00 O ATOM 0 H GLY 1 57 -0.101 -13.913 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.416 -15.960 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.911 -16.215 -2.784 1.00 0.00 H new ATOM 779 N THR 1 58 -2.092 -13.378 -2.696 1.00 0.00 N ATOM 780 CA THR 1 58 -3.146 -12.489 -2.232 1.00 0.00 C ATOM 781 C THR 1 58 -3.935 -11.944 -3.419 1.00 0.00 C ATOM 782 O THR 1 58 -3.451 -11.078 -4.147 1.00 0.00 O ATOM 783 CB THR 1 58 -2.541 -11.332 -1.436 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.855 -11.812 -0.293 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.569 -10.329 -0.967 1.00 0.00 C ATOM 0 H THR 1 58 -1.167 -12.949 -2.737 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.821 -13.052 -1.587 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.858 -10.834 -2.124 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.983 -12.170 -0.561 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -3.074 -9.534 -0.409 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -4.081 -9.902 -1.830 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -4.295 -10.826 -0.324 1.00 0.00 H new ATOM 793 N VAL 1 59 -5.148 -12.451 -3.614 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.982 -11.999 -4.722 1.00 0.00 C ATOM 795 C VAL 1 59 -6.335 -10.524 -4.568 1.00 0.00 C ATOM 796 O VAL 1 59 -7.019 -10.137 -3.620 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.289 -12.814 -4.835 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -8.106 -12.699 -3.558 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -8.102 -12.358 -6.040 1.00 0.00 C ATOM 0 H VAL 1 59 -5.572 -13.168 -3.026 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.398 -12.149 -5.630 1.00 0.00 H new ATOM 0 HB VAL 1 59 -7.028 -13.863 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -9.022 -13.280 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.525 -13.080 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.357 -11.653 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.019 -12.944 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.352 -11.303 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.517 -12.501 -6.949 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.871 -9.706 -5.504 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.152 -8.274 -5.462 1.00 0.00 C ATOM 811 C CYS 1 60 -7.221 -7.894 -6.481 1.00 0.00 C ATOM 812 O CYS 1 60 -7.898 -6.876 -6.334 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.885 -7.463 -5.731 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.389 -8.120 -4.932 1.00 0.00 S ATOM 0 H CYS 1 60 -5.303 -10.005 -6.296 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.519 -8.044 -4.462 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.718 -7.419 -6.807 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.044 -6.440 -5.391 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.358 -8.710 -7.522 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.333 -8.448 -8.575 1.00 0.00 C ATOM 821 C ARG 1 61 -8.785 -9.739 -9.251 1.00 0.00 C ATOM 822 O ARG 1 61 -8.368 -10.835 -8.878 1.00 0.00 O ATOM 823 CB ARG 1 61 -7.745 -7.500 -9.625 1.00 0.00 C ATOM 824 CG ARG 1 61 -6.878 -6.397 -9.040 1.00 0.00 C ATOM 825 CD ARG 1 61 -6.447 -5.398 -10.103 1.00 0.00 C ATOM 826 NE ARG 1 61 -5.477 -5.968 -11.037 1.00 0.00 N ATOM 827 CZ ARG 1 61 -4.540 -5.258 -11.663 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -4.442 -3.948 -11.467 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -3.700 -5.860 -12.493 1.00 0.00 N ATOM 0 H ARG 1 61 -6.807 -9.557 -7.659 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.200 -7.981 -8.108 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.151 -8.079 -10.332 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.560 -7.047 -10.189 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -7.429 -5.879 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -5.996 -6.836 -8.574 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -7.323 -5.057 -10.655 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -6.013 -4.522 -9.621 1.00 0.00 H new ATOM 0 HE ARG 1 61 -5.521 -6.970 -11.220 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -5.088 -3.478 -10.833 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -3.721 -3.412 -11.951 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -3.772 -6.865 -12.651 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -2.982 -5.318 -12.973 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.634 -9.588 -10.257 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.150 -10.716 -11.017 1.00 0.00 C ATOM 845 C ILE 1 62 -11.006 -10.214 -12.168 1.00 0.00 C ATOM 846 O ILE 1 62 -11.841 -9.326 -11.996 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.978 -11.677 -10.141 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.654 -12.755 -10.997 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.019 -10.903 -9.355 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.684 -13.604 -11.790 1.00 0.00 C ATOM 0 H ILE 1 62 -9.984 -8.682 -10.569 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.293 -11.270 -11.400 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.301 -12.171 -9.444 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.244 -13.403 -10.349 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.349 -12.275 -11.686 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.598 -11.592 -8.740 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.523 -10.174 -8.714 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.686 -10.386 -10.045 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.237 -14.343 -12.370 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.111 -12.968 -12.465 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.004 -14.113 -11.107 1.00 0.00 H new ATOM 862 N ALA 1 63 -10.786 -10.779 -13.342 1.00 0.00 N ATOM 863 CA ALA 1 63 -11.530 -10.379 -14.527 1.00 0.00 C ATOM 864 C ALA 1 63 -13.041 -10.494 -14.296 1.00 0.00 C ATOM 865 O ALA 1 63 -13.649 -9.588 -13.726 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.072 -11.179 -15.739 1.00 0.00 C ATOM 0 H ALA 1 63 -10.099 -11.516 -13.502 1.00 0.00 H new ATOM 0 HA ALA 1 63 -11.322 -9.329 -14.730 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -11.639 -10.867 -16.616 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.010 -11.003 -15.911 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.239 -12.241 -15.558 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.650 -11.599 -14.723 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.086 -11.790 -14.532 1.00 0.00 C ATOM 874 C ARG 1 64 -15.413 -13.243 -14.203 1.00 0.00 C ATOM 875 O ARG 1 64 -15.740 -14.029 -15.090 1.00 0.00 O ATOM 876 CB ARG 1 64 -15.848 -11.357 -15.786 1.00 0.00 C ATOM 877 CG ARG 1 64 -16.226 -9.885 -15.790 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.208 -9.559 -14.677 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.200 -8.570 -15.093 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.328 -8.327 -14.429 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -19.611 -8.997 -13.319 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.175 -7.410 -14.877 1.00 0.00 N ATOM 0 H ARG 1 64 -13.177 -12.368 -15.198 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.396 -11.172 -13.689 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.237 -11.569 -16.664 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -16.754 -11.956 -15.876 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -15.328 -9.278 -15.674 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -16.666 -9.624 -16.753 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -17.715 -10.471 -14.363 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -16.663 -9.183 -13.811 1.00 0.00 H new ATOM 0 HE ARG 1 64 -18.018 -8.035 -15.942 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -18.963 -9.703 -12.970 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -20.477 -8.806 -12.815 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -19.962 -6.892 -15.729 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -21.040 -7.223 -14.369 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.338 -13.596 -12.927 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.636 -14.956 -12.523 1.00 0.00 C ATOM 898 C GLY 1 65 -14.509 -15.578 -11.731 1.00 0.00 C ATOM 899 O GLY 1 65 -14.323 -15.270 -10.553 1.00 0.00 O ATOM 0 H GLY 1 65 -15.077 -12.968 -12.167 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.546 -14.964 -11.923 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.832 -15.561 -13.408 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.749 -16.451 -12.381 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.626 -17.114 -11.731 1.00 0.00 C ATOM 905 C ASP 1 66 -11.945 -18.103 -12.670 1.00 0.00 C ATOM 906 O ASP 1 66 -12.317 -19.274 -12.739 1.00 0.00 O ATOM 907 CB ASP 1 66 -13.086 -17.832 -10.460 1.00 0.00 C ATOM 908 CG ASP 1 66 -14.307 -18.698 -10.695 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -15.429 -18.150 -10.714 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -14.142 -19.925 -10.860 1.00 0.00 O ATOM 0 H ASP 1 66 -13.890 -16.716 -13.356 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.902 -16.345 -11.462 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.273 -18.451 -10.081 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -13.310 -17.094 -9.690 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.938 -17.617 -13.384 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.179 -18.441 -14.319 1.00 0.00 C ATOM 917 C TRP 1 67 -8.713 -18.466 -13.919 1.00 0.00 C ATOM 918 O TRP 1 67 -8.182 -19.486 -13.481 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.309 -17.895 -15.747 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.054 -16.598 -15.832 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.649 -15.374 -15.372 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.342 -16.400 -16.413 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.613 -14.437 -15.629 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.659 -15.040 -16.270 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.256 -17.244 -17.042 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -13.852 -14.503 -16.731 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.445 -16.711 -17.503 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.734 -15.350 -17.345 1.00 0.00 C ATOM 0 H TRP 1 67 -10.625 -16.648 -13.333 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.582 -19.453 -14.289 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.312 -17.759 -16.166 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.816 -18.636 -16.365 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.708 -15.177 -14.879 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.560 -13.449 -15.382 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.039 -18.295 -17.167 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.077 -13.454 -16.610 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.162 -17.354 -17.992 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.671 -14.961 -17.715 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.079 -17.316 -14.072 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.675 -17.146 -13.732 1.00 0.00 C ATOM 941 C ASN 1 68 -6.551 -16.377 -12.424 1.00 0.00 C ATOM 942 O ASN 1 68 -5.625 -16.596 -11.643 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.946 -16.399 -14.852 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.501 -16.727 -16.228 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.657 -16.154 -16.555 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -5.898 -17.485 -16.988 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.523 -16.473 -14.436 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.218 -18.128 -13.613 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.024 -15.326 -14.679 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.886 -16.651 -14.822 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.014 -17.903 -16.696 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.282 -17.695 -17.909 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.505 -15.480 -12.192 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.531 -14.675 -10.979 1.00 0.00 C ATOM 955 C ASP 1 69 -6.299 -13.790 -10.869 1.00 0.00 C ATOM 956 O ASP 1 69 -5.204 -14.175 -11.278 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.621 -15.576 -9.749 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.045 -15.988 -9.434 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.754 -15.210 -8.762 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.452 -17.090 -9.859 1.00 0.00 O ATOM 0 H ASP 1 69 -8.275 -15.293 -12.835 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.411 -14.033 -11.030 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.016 -16.468 -9.911 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.198 -15.055 -8.890 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.486 -12.608 -10.296 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.388 -11.673 -10.111 1.00 0.00 C ATOM 967 C ASP 1 70 -4.737 -11.904 -8.759 1.00 0.00 C ATOM 968 O ASP 1 70 -5.408 -11.864 -7.728 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.886 -10.232 -10.215 1.00 0.00 C ATOM 970 CG ASP 1 70 -4.752 -9.244 -10.368 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.823 -9.280 -9.536 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -4.791 -8.437 -11.321 1.00 0.00 O ATOM 0 H ASP 1 70 -7.387 -12.276 -9.952 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.651 -11.840 -10.897 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.560 -10.143 -11.067 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.464 -9.984 -9.324 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.437 -12.175 -8.762 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.735 -12.447 -7.519 1.00 0.00 C ATOM 979 C TYR 1 71 -1.425 -11.700 -7.390 1.00 0.00 C ATOM 980 O TYR 1 71 -0.725 -11.456 -8.372 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.469 -13.936 -7.403 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.669 -14.693 -6.927 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -4.030 -14.656 -5.597 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.445 -15.425 -7.806 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -5.135 -15.334 -5.139 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.557 -16.108 -7.367 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.901 -16.063 -6.028 1.00 0.00 C ATOM 988 OH TYR 1 71 -7.010 -16.743 -5.581 1.00 0.00 O ATOM 0 H TYR 1 71 -2.857 -12.212 -9.600 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.382 -12.098 -6.714 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.159 -14.324 -8.373 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.641 -14.102 -6.714 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.434 -14.084 -4.902 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -4.175 -15.462 -8.851 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.402 -15.297 -4.093 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -6.157 -16.675 -8.064 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.437 -17.203 -6.334 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.098 -11.362 -6.151 1.00 0.00 N ATOM 999 CA CYS 1 72 0.135 -10.662 -5.848 1.00 0.00 C ATOM 1000 C CYS 1 72 1.327 -11.593 -6.016 1.00 0.00 C ATOM 1001 O CYS 1 72 1.169 -12.812 -6.087 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.097 -10.118 -4.424 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.265 -8.757 -4.132 1.00 0.00 S ATOM 0 H CYS 1 72 -1.677 -11.565 -5.336 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.239 -9.828 -6.542 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.913 -9.772 -4.203 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.316 -10.928 -3.729 1.00 0.00 H new ATOM 1008 N THR 1 73 2.518 -11.015 -6.081 1.00 0.00 N ATOM 1009 CA THR 1 73 3.735 -11.798 -6.246 1.00 0.00 C ATOM 1010 C THR 1 73 4.718 -11.544 -5.102 1.00 0.00 C ATOM 1011 O THR 1 73 5.832 -12.068 -5.104 1.00 0.00 O ATOM 1012 CB THR 1 73 4.387 -11.468 -7.590 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.204 -10.315 -7.484 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.377 -11.216 -8.691 1.00 0.00 C ATOM 0 H THR 1 73 2.668 -10.008 -6.022 1.00 0.00 H new ATOM 0 HA THR 1 73 3.467 -12.854 -6.226 1.00 0.00 H new ATOM 0 HB THR 1 73 4.979 -12.345 -7.850 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.613 -10.123 -8.354 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.900 -10.987 -9.619 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.762 -12.105 -8.831 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.741 -10.374 -8.416 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.299 -10.743 -4.125 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.153 -10.442 -2.991 1.00 0.00 C ATOM 1024 C GLY 1 74 6.475 -9.825 -3.400 1.00 0.00 C ATOM 1025 O GLY 1 74 7.482 -9.987 -2.711 1.00 0.00 O ATOM 0 H GLY 1 74 3.382 -10.297 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.631 -9.760 -2.320 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.342 -11.358 -2.431 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.478 -9.116 -4.525 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.693 -8.478 -5.016 1.00 0.00 C ATOM 1031 C LYS 1 75 7.384 -7.197 -5.788 1.00 0.00 C ATOM 1032 O LYS 1 75 8.219 -6.708 -6.549 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.472 -9.445 -5.908 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.827 -10.753 -5.221 1.00 0.00 C ATOM 1035 CD LYS 1 75 9.956 -11.471 -5.941 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.742 -12.976 -5.950 1.00 0.00 C ATOM 1037 NZ LYS 1 75 8.775 -13.393 -7.002 1.00 0.00 N ATOM 0 H LYS 1 75 5.656 -8.970 -5.111 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.299 -8.212 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.882 -9.660 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.389 -8.959 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.119 -10.556 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 7.948 -11.397 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.026 -11.106 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.904 -11.240 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.696 -13.477 -6.114 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.377 -13.297 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 8.657 -14.426 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 7.857 -12.935 -6.831 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.135 -13.110 -7.936 1.00 0.00 H new ATOM 1051 N SER 1 76 6.185 -6.653 -5.592 1.00 0.00 N ATOM 1052 CA SER 1 76 5.790 -5.428 -6.278 1.00 0.00 C ATOM 1053 C SER 1 76 4.495 -4.864 -5.700 1.00 0.00 C ATOM 1054 O SER 1 76 3.764 -5.556 -4.993 1.00 0.00 O ATOM 1055 CB SER 1 76 5.620 -5.691 -7.775 1.00 0.00 C ATOM 1056 OG SER 1 76 6.841 -5.499 -8.468 1.00 0.00 O ATOM 0 H SER 1 76 5.476 -7.039 -4.968 1.00 0.00 H new ATOM 0 HA SER 1 76 6.580 -4.692 -6.129 1.00 0.00 H new ATOM 0 HB2 SER 1 76 5.266 -6.710 -7.931 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.859 -5.024 -8.181 1.00 0.00 H new ATOM 0 HG SER 1 76 7.532 -6.074 -8.078 1.00 0.00 H new ATOM 1062 N SER 1 77 4.218 -3.602 -6.016 1.00 0.00 N ATOM 1063 CA SER 1 77 3.010 -2.932 -5.540 1.00 0.00 C ATOM 1064 C SER 1 77 1.853 -3.130 -6.514 1.00 0.00 C ATOM 1065 O SER 1 77 0.811 -2.485 -6.391 1.00 0.00 O ATOM 1066 CB SER 1 77 3.277 -1.439 -5.347 1.00 0.00 C ATOM 1067 OG SER 1 77 3.843 -0.866 -6.513 1.00 0.00 O ATOM 0 H SER 1 77 4.816 -3.020 -6.602 1.00 0.00 H new ATOM 0 HA SER 1 77 2.733 -3.375 -4.583 1.00 0.00 H new ATOM 0 HB2 SER 1 77 2.345 -0.929 -5.103 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.951 -1.293 -4.503 1.00 0.00 H new ATOM 0 HG SER 1 77 4.002 0.089 -6.364 1.00 0.00 H new ATOM 1073 N ASP 1 78 2.038 -4.025 -7.480 1.00 0.00 N ATOM 1074 CA ASP 1 78 1.004 -4.301 -8.468 1.00 0.00 C ATOM 1075 C ASP 1 78 0.581 -5.765 -8.416 1.00 0.00 C ATOM 1076 O ASP 1 78 1.385 -6.647 -8.113 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.502 -3.950 -9.871 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.263 -2.495 -10.222 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.118 -2.024 -10.055 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.221 -1.826 -10.664 1.00 0.00 O ATOM 0 H ASP 1 78 2.892 -4.569 -7.598 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.138 -3.682 -8.234 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.568 -4.167 -9.940 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.999 -4.584 -10.601 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.688 -6.011 -8.710 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.237 -7.361 -8.697 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.699 -7.775 -10.097 1.00 0.00 C ATOM 1088 O CYS 1 79 -2.729 -7.304 -10.578 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.408 -7.425 -7.717 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.276 -8.768 -6.497 1.00 0.00 S ATOM 0 H CYS 1 79 -1.362 -5.288 -8.962 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.458 -8.053 -8.379 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.480 -6.474 -7.189 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.333 -7.548 -8.280 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.943 -8.660 -10.773 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.287 -9.128 -12.125 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.524 -10.025 -12.143 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.711 -10.859 -11.257 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.048 -9.921 -12.550 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.569 -10.370 -11.271 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.307 -9.270 -10.281 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.533 -8.299 -12.788 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.317 -10.769 -13.179 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.640 -9.302 -13.126 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 0.132 -11.310 -10.935 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.639 -10.541 -11.392 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.194 -9.659 -9.269 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 1.124 -8.549 -10.256 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.364 -9.848 -13.163 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.588 -10.646 -13.305 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.271 -12.103 -13.601 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.126 -12.976 -13.456 1.00 0.00 O ATOM 1113 CB TRP 1 81 -5.487 -10.118 -14.433 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.170 -8.733 -14.899 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -4.262 -8.367 -15.852 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -5.778 -7.532 -14.440 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -4.270 -7.003 -16.006 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -5.196 -6.468 -15.149 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -6.761 -7.258 -13.494 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -5.570 -5.146 -14.939 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -7.135 -5.945 -13.284 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -6.540 -4.901 -14.005 1.00 0.00 C ATOM 0 H TRP 1 81 -3.222 -9.161 -13.903 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.111 -10.565 -12.352 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -5.414 -10.797 -15.283 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.522 -10.143 -14.093 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -3.632 -9.050 -16.402 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -3.683 -6.475 -16.652 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -7.223 -8.058 -12.934 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -5.111 -4.340 -15.493 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -7.897 -5.720 -12.553 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -6.853 -3.884 -13.820 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.052 -12.352 -14.051 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.626 -13.700 -14.413 1.00 0.00 C ATOM 1135 C ASN 1 82 -3.227 -14.084 -15.762 1.00 0.00 C ATOM 1136 O ASN 1 82 -3.411 -15.263 -16.062 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.052 -14.710 -13.343 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.243 -15.990 -13.400 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.428 -16.221 -12.377 1.00 0.00 O flip ATOM 1140 ND2 ASN 1 82 -2.348 -16.763 -14.352 1.00 0.00 N flip ATOM 0 H ASN 1 82 -2.335 -11.637 -14.176 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.538 -13.714 -14.484 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.943 -14.258 -12.357 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.109 -14.946 -13.470 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.987 -16.546 -15.117 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.796 -17.621 -14.376 1.00 0.00 H new ATOM 1147 N HIS 1 83 -3.539 -13.068 -16.567 1.00 0.00 N ATOM 1148 CA HIS 1 83 -4.131 -13.275 -17.882 1.00 0.00 C ATOM 1149 C HIS 1 83 -3.072 -13.203 -18.978 1.00 0.00 C ATOM 1150 O HIS 1 83 -2.412 -12.149 -19.093 1.00 0.00 O ATOM 1151 CB HIS 1 83 -5.218 -12.226 -18.130 1.00 0.00 C ATOM 1152 CG HIS 1 83 -6.300 -12.250 -17.098 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -6.732 -13.252 -16.298 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -7.067 -11.150 -16.778 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -7.738 -12.746 -15.517 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -7.921 -11.476 -15.823 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -2.911 -14.202 -19.711 1.00 0.00 O ATOM 0 H HIS 1 83 -3.389 -12.088 -16.326 1.00 0.00 H new ATOM 0 HA HIS 1 83 -4.575 -14.270 -17.907 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -4.762 -11.236 -18.148 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -5.658 -12.392 -19.113 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -6.375 -14.207 -16.280 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -6.983 -10.175 -17.236 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.291 -13.298 -14.772 1.00 0.00 H new