USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 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= -0.957 F(o=-10,f=-8.5) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -7.52! C(o=-10!,f=-8.5!) USER MOD Set 2.1: 1 30 ASN : amide:sc= -0.919 K(o=-7.4,f=-8) USER MOD Set 2.2: 1 33 THR OG1 : rot 180:sc= -6.52! USER MOD Single : 1 1 SER N :NH3+ -143:sc= 0.0949 (180deg=-0.0916) USER MOD Single : 1 1 SER OG : rot 53:sc= 0.258 USER MOD Single : 1 7 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.3) USER MOD Single : 1 8 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.729) USER MOD Single : 1 12 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.24) USER MOD Single : 1 20 SER OG : rot 18:sc= 1.13 USER MOD Single : 1 23 ASN : amide:sc= -2.45 K(o=-2.5,f=-10!) USER MOD Single : 1 25 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.29) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 180:sc= -2.47! USER MOD Single : 1 40 SER OG : rot 180:sc= -0.958 USER MOD Single : 1 41 GLN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : 1 43 ASN : amide:sc= -3.21 K(o=-3.2,f=-6.3!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 150:sc= -0.946 (180deg=-3.11!) USER MOD Single : 1 55 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.268) USER MOD Single : 1 58 THR OG1 : rot 76:sc= 0.853 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.0107 USER MOD Single : 1 82 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 -2.307 13.462 21.067 1.00 0.00 N ATOM 2 CA SER 1 1 -2.860 13.999 19.795 1.00 0.00 C ATOM 3 C SER 1 1 -1.960 15.090 19.220 1.00 0.00 C ATOM 4 O SER 1 1 -2.190 16.278 19.444 1.00 0.00 O ATOM 5 CB SER 1 1 -4.257 14.558 20.069 1.00 0.00 C ATOM 6 OG SER 1 1 -4.253 15.412 21.200 1.00 0.00 O ATOM 0 H1 SER 1 1 -2.485 12.439 21.118 1.00 0.00 H new ATOM 0 H2 SER 1 1 -1.283 13.638 21.102 1.00 0.00 H new ATOM 0 H3 SER 1 1 -2.766 13.934 21.872 1.00 0.00 H new ATOM 0 HA SER 1 1 -2.914 13.196 19.060 1.00 0.00 H new ATOM 0 HB2 SER 1 1 -4.610 15.107 19.196 1.00 0.00 H new ATOM 0 HB3 SER 1 1 -4.955 13.737 20.232 1.00 0.00 H new ATOM 0 HG SER 1 1 -3.557 16.093 21.093 1.00 0.00 H new ATOM 14 N PRO 1 2 -0.917 14.698 18.467 1.00 0.00 N ATOM 15 CA PRO 1 2 0.021 15.639 17.856 1.00 0.00 C ATOM 16 C PRO 1 2 -0.577 16.329 16.633 1.00 0.00 C ATOM 17 O PRO 1 2 -1.669 15.981 16.187 1.00 0.00 O ATOM 18 CB PRO 1 2 1.217 14.760 17.447 1.00 0.00 C ATOM 19 CG PRO 1 2 0.923 13.390 17.975 1.00 0.00 C ATOM 20 CD PRO 1 2 -0.566 13.312 18.147 1.00 0.00 C ATOM 0 HA PRO 1 2 0.291 16.443 18.541 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 1.336 14.743 16.364 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 2.147 15.148 17.864 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 1.275 12.624 17.284 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 1.433 13.222 18.924 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 -1.062 12.966 17.240 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 -0.848 12.626 18.946 1.00 0.00 H new ATOM 28 N PRO 1 3 0.130 17.327 16.077 1.00 0.00 N ATOM 29 CA PRO 1 3 -0.334 18.071 14.907 1.00 0.00 C ATOM 30 C PRO 1 3 -0.151 17.294 13.613 1.00 0.00 C ATOM 31 O PRO 1 3 0.932 16.783 13.330 1.00 0.00 O ATOM 32 CB PRO 1 3 0.545 19.335 14.901 1.00 0.00 C ATOM 33 CG PRO 1 3 1.385 19.265 16.139 1.00 0.00 C ATOM 34 CD PRO 1 3 1.428 17.820 16.543 1.00 0.00 C ATOM 0 HA PRO 1 3 -1.402 18.282 14.965 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 1.169 19.371 14.008 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 -0.069 20.236 14.897 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 2.389 19.645 15.949 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 0.958 19.877 16.933 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 2.257 17.291 16.073 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 1.545 17.702 17.620 1.00 0.00 H new ATOM 42 N VAL 1 4 -1.220 17.216 12.823 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.197 16.528 11.571 1.00 0.00 C ATOM 44 C VAL 1 4 -0.113 17.101 10.668 1.00 0.00 C ATOM 45 O VAL 1 4 -0.344 18.033 9.899 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.584 16.635 10.914 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.899 18.073 10.529 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.694 15.715 9.726 1.00 0.00 C ATOM 0 H VAL 1 4 -2.121 17.636 13.050 1.00 0.00 H new ATOM 0 HA VAL 1 4 -0.964 15.476 11.734 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.326 16.319 11.647 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.885 18.118 10.067 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.887 18.699 11.421 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -2.151 18.433 9.823 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.685 15.812 9.282 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -1.938 15.982 8.988 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.540 14.685 10.048 1.00 0.00 H new ATOM 58 N CYS 1 5 1.080 16.536 10.779 1.00 0.00 N ATOM 59 CA CYS 1 5 2.208 16.999 9.977 1.00 0.00 C ATOM 60 C CYS 1 5 1.961 16.648 8.515 1.00 0.00 C ATOM 61 O CYS 1 5 2.209 15.523 8.080 1.00 0.00 O ATOM 62 CB CYS 1 5 3.543 16.388 10.462 1.00 0.00 C ATOM 63 SG CYS 1 5 3.461 15.466 12.045 1.00 0.00 S ATOM 0 H CYS 1 5 1.294 15.763 11.410 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.290 18.080 10.087 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.917 15.716 9.689 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.273 17.191 10.567 1.00 0.00 H new ATOM 68 N GLY 1 6 1.446 17.622 7.768 1.00 0.00 N ATOM 69 CA GLY 1 6 1.138 17.411 6.366 1.00 0.00 C ATOM 70 C GLY 1 6 -0.344 17.144 6.132 1.00 0.00 C ATOM 71 O GLY 1 6 -0.743 16.752 5.035 1.00 0.00 O ATOM 0 H GLY 1 6 1.236 18.559 8.113 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.441 18.288 5.794 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 1.720 16.569 5.991 1.00 0.00 H new ATOM 75 N ASN 1 7 -1.160 17.355 7.169 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.606 17.133 7.081 1.00 0.00 C ATOM 77 C ASN 1 7 -2.910 15.672 6.758 1.00 0.00 C ATOM 78 O ASN 1 7 -2.158 15.021 6.033 1.00 0.00 O ATOM 79 CB ASN 1 7 -3.230 18.036 6.013 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.781 19.323 6.595 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -4.345 19.333 7.689 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -3.622 20.419 5.862 1.00 0.00 N ATOM 0 H ASN 1 7 -0.842 17.680 8.082 1.00 0.00 H new ATOM 0 HA ASN 1 7 -3.040 17.379 8.050 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -2.480 18.273 5.258 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -4.031 17.497 5.508 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -3.974 21.315 6.201 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -3.148 20.365 4.960 1.00 0.00 H new ATOM 89 N LYS 1 8 -4.016 15.158 7.295 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.403 13.772 7.058 1.00 0.00 C ATOM 91 C LYS 1 8 -4.364 13.469 5.572 1.00 0.00 C ATOM 92 O LYS 1 8 -5.228 13.918 4.818 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.803 13.498 7.621 1.00 0.00 C ATOM 94 CG LYS 1 8 -6.401 12.167 7.180 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.402 11.024 7.309 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.007 9.832 8.033 1.00 0.00 C ATOM 97 NZ LYS 1 8 -6.124 10.072 9.498 1.00 0.00 N ATOM 0 H LYS 1 8 -4.656 15.680 7.894 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.695 13.121 7.570 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.756 13.520 8.710 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.470 14.303 7.314 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -7.283 11.948 7.782 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.733 12.244 6.145 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.069 10.718 6.318 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.520 11.370 7.849 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -6.993 9.619 7.620 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -5.391 8.950 7.858 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -5.841 9.215 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -5.504 10.861 9.771 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -7.109 10.308 9.733 1.00 0.00 H new ATOM 111 N ILE 1 9 -3.349 12.725 5.146 1.00 0.00 N ATOM 112 CA ILE 1 9 -3.217 12.399 3.722 1.00 0.00 C ATOM 113 C ILE 1 9 -4.536 11.924 3.139 1.00 0.00 C ATOM 114 O ILE 1 9 -5.148 10.978 3.633 1.00 0.00 O ATOM 115 CB ILE 1 9 -2.145 11.335 3.419 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.471 10.005 4.110 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.770 11.845 3.803 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -1.483 9.603 5.181 1.00 0.00 C ATOM 0 H ILE 1 9 -2.619 12.342 5.746 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.903 13.333 3.256 1.00 0.00 H new ATOM 0 HB ILE 1 9 -2.143 11.144 2.346 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -3.464 10.074 4.555 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.513 9.218 3.357 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 -0.024 11.081 3.583 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.545 12.747 3.234 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.751 12.074 4.869 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -1.787 8.652 5.618 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -0.491 9.499 4.741 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -1.457 10.368 5.957 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.962 12.586 2.079 1.00 0.00 N ATOM 131 CA LEU 1 10 -6.201 12.231 1.416 1.00 0.00 C ATOM 132 C LEU 1 10 -5.935 11.286 0.250 1.00 0.00 C ATOM 133 O LEU 1 10 -6.817 11.020 -0.566 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.930 13.495 0.942 1.00 0.00 C ATOM 135 CG LEU 1 10 -6.090 14.504 0.143 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -5.357 15.454 1.079 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -5.107 13.801 -0.784 1.00 0.00 C ATOM 0 H LEU 1 10 -4.467 13.373 1.659 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.842 11.712 2.129 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.777 13.191 0.327 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -7.337 14.004 1.816 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.773 15.085 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.768 16.160 0.493 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -6.081 16.000 1.684 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.696 14.884 1.731 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -4.530 14.545 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.432 13.180 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.655 13.175 -1.488 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.704 10.787 0.186 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.287 9.872 -0.873 1.00 0.00 C ATOM 151 C GLU 1 11 -2.800 9.527 -0.765 1.00 0.00 C ATOM 152 O GLU 1 11 -2.133 9.335 -1.782 1.00 0.00 O ATOM 153 CB GLU 1 11 -4.546 10.505 -2.240 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.645 11.696 -2.524 1.00 0.00 C ATOM 155 CD GLU 1 11 -4.286 12.707 -3.454 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -5.209 12.324 -4.203 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -3.866 13.883 -3.433 1.00 0.00 O ATOM 0 H GLU 1 11 -3.971 11.003 0.862 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.867 8.956 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -4.400 9.753 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -5.587 10.823 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -3.389 12.185 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.712 11.344 -2.965 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.272 9.459 0.454 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.855 9.150 0.633 1.00 0.00 C ATOM 166 C GLN 1 12 -0.562 8.588 2.026 1.00 0.00 C ATOM 167 O GLN 1 12 0.278 9.116 2.753 1.00 0.00 O ATOM 168 CB GLN 1 12 0.013 10.396 0.366 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.724 11.727 0.464 1.00 0.00 C ATOM 170 CD GLN 1 12 -0.402 12.656 -0.691 1.00 0.00 C ATOM 171 OE1 GLN 1 12 0.673 12.578 -1.284 1.00 0.00 O ATOM 172 NE2 GLN 1 12 -1.336 13.543 -1.015 1.00 0.00 N ATOM 0 H GLN 1 12 -2.792 9.610 1.318 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.600 8.379 -0.094 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 0.840 10.403 1.076 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.448 10.311 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.798 11.543 0.489 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 -0.462 12.215 1.403 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -2.213 13.572 -0.496 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 -1.176 14.195 -1.783 1.00 0.00 H new ATOM 181 N GLY 1 13 -1.255 7.505 2.384 1.00 0.00 N ATOM 182 CA GLY 1 13 -1.059 6.870 3.685 1.00 0.00 C ATOM 183 C GLY 1 13 0.402 6.795 4.105 1.00 0.00 C ATOM 184 O GLY 1 13 0.721 6.863 5.292 1.00 0.00 O ATOM 0 H GLY 1 13 -1.953 7.053 1.793 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -1.619 7.423 4.439 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.474 5.862 3.656 1.00 0.00 H new ATOM 188 N GLU 1 14 1.283 6.660 3.122 1.00 0.00 N ATOM 189 CA GLU 1 14 2.725 6.576 3.359 1.00 0.00 C ATOM 190 C GLU 1 14 3.470 7.039 2.121 1.00 0.00 C ATOM 191 O GLU 1 14 4.665 6.794 1.964 1.00 0.00 O ATOM 192 CB GLU 1 14 3.148 5.142 3.722 1.00 0.00 C ATOM 193 CG GLU 1 14 1.989 4.173 3.924 1.00 0.00 C ATOM 194 CD GLU 1 14 1.388 4.254 5.313 1.00 0.00 C ATOM 195 OE1 GLU 1 14 2.154 4.192 6.297 1.00 0.00 O ATOM 196 OE2 GLU 1 14 0.150 4.382 5.417 1.00 0.00 O ATOM 0 H GLU 1 14 1.022 6.605 2.137 1.00 0.00 H new ATOM 0 HA GLU 1 14 2.974 7.222 4.201 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 3.794 4.757 2.933 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.743 5.172 4.635 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 1.215 4.382 3.186 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 2.336 3.156 3.743 1.00 0.00 H new ATOM 203 N ASP 1 15 2.743 7.722 1.251 1.00 0.00 N ATOM 204 CA ASP 1 15 3.300 8.243 0.029 1.00 0.00 C ATOM 205 C ASP 1 15 3.902 9.612 0.292 1.00 0.00 C ATOM 206 O ASP 1 15 4.863 10.007 -0.366 1.00 0.00 O ATOM 207 CB ASP 1 15 2.200 8.318 -1.036 1.00 0.00 C ATOM 208 CG ASP 1 15 2.518 9.290 -2.159 1.00 0.00 C ATOM 209 OD1 ASP 1 15 2.407 10.514 -1.934 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.878 8.826 -3.261 1.00 0.00 O ATOM 0 H ASP 1 15 1.752 7.927 1.379 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.090 7.586 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 2.043 7.325 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.264 8.614 -0.562 1.00 0.00 H new ATOM 215 N CYS 1 16 3.330 10.329 1.271 1.00 0.00 N ATOM 216 CA CYS 1 16 3.812 11.658 1.634 1.00 0.00 C ATOM 217 C CYS 1 16 2.761 12.448 2.418 1.00 0.00 C ATOM 218 O CYS 1 16 1.567 12.159 2.351 1.00 0.00 O ATOM 219 CB CYS 1 16 4.214 12.418 0.370 1.00 0.00 C ATOM 220 SG CYS 1 16 4.449 14.218 0.586 1.00 0.00 S ATOM 0 H CYS 1 16 2.534 10.006 1.821 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.680 11.540 2.283 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.141 11.990 -0.013 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.450 12.256 -0.390 1.00 0.00 H new ATOM 225 N ASP 1 17 3.230 13.457 3.154 1.00 0.00 N ATOM 226 CA ASP 1 17 2.364 14.317 3.953 1.00 0.00 C ATOM 227 C ASP 1 17 1.445 13.501 4.851 1.00 0.00 C ATOM 228 O ASP 1 17 0.292 13.876 5.064 1.00 0.00 O ATOM 229 CB ASP 1 17 1.532 15.222 3.041 1.00 0.00 C ATOM 230 CG ASP 1 17 2.325 16.405 2.522 1.00 0.00 C ATOM 231 OD1 ASP 1 17 2.872 17.163 3.351 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.400 16.574 1.287 1.00 0.00 O ATOM 0 H ASP 1 17 4.219 13.698 3.211 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.001 14.931 4.590 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 1.159 14.640 2.198 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.662 15.584 3.588 1.00 0.00 H new ATOM 237 N CYS 1 18 1.965 12.383 5.368 1.00 0.00 N ATOM 238 CA CYS 1 18 1.196 11.490 6.241 1.00 0.00 C ATOM 239 C CYS 1 18 0.184 12.247 7.090 1.00 0.00 C ATOM 240 O CYS 1 18 -0.916 11.756 7.328 1.00 0.00 O ATOM 241 CB CYS 1 18 2.125 10.688 7.155 1.00 0.00 C ATOM 242 SG CYS 1 18 3.209 9.523 6.273 1.00 0.00 S ATOM 0 H CYS 1 18 2.921 12.074 5.195 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.651 10.810 5.587 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.743 11.381 7.726 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.521 10.133 7.873 1.00 0.00 H new ATOM 247 N GLY 1 19 0.555 13.440 7.544 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.346 14.224 8.363 1.00 0.00 C ATOM 249 C GLY 1 19 -0.748 13.504 9.620 1.00 0.00 C ATOM 250 O GLY 1 19 -0.387 13.924 10.711 1.00 0.00 O ATOM 0 H GLY 1 19 1.459 13.875 7.360 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.133 15.168 8.625 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.238 14.469 7.786 1.00 0.00 H new ATOM 254 N SER 1 20 -1.498 12.416 9.476 1.00 0.00 N ATOM 255 CA SER 1 20 -1.949 11.664 10.629 1.00 0.00 C ATOM 256 C SER 1 20 -0.774 11.353 11.541 1.00 0.00 C ATOM 257 O SER 1 20 0.032 10.462 11.270 1.00 0.00 O ATOM 258 CB SER 1 20 -2.652 10.385 10.200 1.00 0.00 C ATOM 259 OG SER 1 20 -1.732 9.435 9.693 1.00 0.00 O ATOM 0 H SER 1 20 -1.802 12.042 8.577 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.667 12.271 11.180 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.186 9.959 11.049 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.397 10.615 9.438 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.825 9.675 9.976 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.658 12.125 12.629 1.00 0.00 N ATOM 266 CA PRO 1 21 0.426 11.989 13.595 1.00 0.00 C ATOM 267 C PRO 1 21 0.630 10.552 14.047 1.00 0.00 C ATOM 268 O PRO 1 21 1.730 10.171 14.446 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.003 12.882 14.771 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.403 13.319 14.470 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.573 13.211 12.985 1.00 0.00 C ATOM 0 HA PRO 1 21 1.384 12.281 13.164 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 0.041 12.334 15.712 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.661 13.741 14.871 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.126 12.690 14.990 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -1.571 14.342 14.806 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.602 12.978 12.712 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.312 14.141 12.480 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.423 9.746 13.961 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.326 8.344 14.341 1.00 0.00 C ATOM 281 C ALA 1 22 0.838 7.683 13.607 1.00 0.00 C ATOM 282 O ALA 1 22 1.383 6.675 14.059 1.00 0.00 O ATOM 283 CB ALA 1 22 -1.629 7.620 14.038 1.00 0.00 C ATOM 0 H ALA 1 22 -1.345 10.037 13.635 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.143 8.282 15.414 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.539 6.573 14.328 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.441 8.083 14.598 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -1.841 7.684 12.971 1.00 0.00 H new ATOM 289 N ASN 1 23 1.213 8.269 12.470 1.00 0.00 N ATOM 290 CA ASN 1 23 2.310 7.757 11.664 1.00 0.00 C ATOM 291 C ASN 1 23 3.471 8.754 11.607 1.00 0.00 C ATOM 292 O ASN 1 23 4.608 8.371 11.329 1.00 0.00 O ATOM 293 CB ASN 1 23 1.818 7.447 10.250 1.00 0.00 C ATOM 294 CG ASN 1 23 0.546 6.622 10.248 1.00 0.00 C ATOM 295 OD1 ASN 1 23 0.005 6.291 11.303 1.00 0.00 O ATOM 296 ND2 ASN 1 23 0.061 6.285 9.058 1.00 0.00 N ATOM 0 H ASN 1 23 0.767 9.103 12.089 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.674 6.842 12.131 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.643 8.381 9.716 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.596 6.911 9.707 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -0.793 5.730 8.994 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 0.542 6.581 8.209 1.00 0.00 H new ATOM 303 N CYS 1 24 3.187 10.033 11.871 1.00 0.00 N ATOM 304 CA CYS 1 24 4.225 11.066 11.843 1.00 0.00 C ATOM 305 C CYS 1 24 5.395 10.679 12.740 1.00 0.00 C ATOM 306 O CYS 1 24 5.314 10.780 13.964 1.00 0.00 O ATOM 307 CB CYS 1 24 3.658 12.427 12.272 1.00 0.00 C ATOM 308 SG CYS 1 24 4.683 13.860 11.781 1.00 0.00 S ATOM 0 H CYS 1 24 2.255 10.375 12.105 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.584 11.150 10.817 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.663 12.544 11.844 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.541 12.433 13.356 1.00 0.00 H new ATOM 313 N GLN 1 25 6.482 10.229 12.119 1.00 0.00 N ATOM 314 CA GLN 1 25 7.672 9.816 12.854 1.00 0.00 C ATOM 315 C GLN 1 25 7.422 8.505 13.591 1.00 0.00 C ATOM 316 O GLN 1 25 7.930 8.292 14.692 1.00 0.00 O ATOM 317 CB GLN 1 25 8.097 10.904 13.843 1.00 0.00 C ATOM 318 CG GLN 1 25 8.063 12.306 13.256 1.00 0.00 C ATOM 319 CD GLN 1 25 8.023 13.384 14.322 1.00 0.00 C ATOM 320 OE1 GLN 1 25 7.216 13.327 15.250 1.00 0.00 O ATOM 321 NE2 GLN 1 25 8.898 14.375 14.194 1.00 0.00 N ATOM 0 H GLN 1 25 6.562 10.141 11.106 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.478 9.662 12.136 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.442 10.868 14.714 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.107 10.690 14.194 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 8.941 12.454 12.628 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 7.190 12.405 12.612 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 9.549 14.382 13.409 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 8.919 15.129 14.881 1.00 0.00 H new ATOM 330 N ASP 1 26 6.634 7.629 12.973 1.00 0.00 N ATOM 331 CA ASP 1 26 6.312 6.336 13.567 1.00 0.00 C ATOM 332 C ASP 1 26 5.574 5.446 12.570 1.00 0.00 C ATOM 333 O ASP 1 26 5.487 5.765 11.384 1.00 0.00 O ATOM 334 CB ASP 1 26 5.462 6.527 14.825 1.00 0.00 C ATOM 335 CG ASP 1 26 5.849 5.569 15.935 1.00 0.00 C ATOM 336 OD1 ASP 1 26 6.837 5.851 16.645 1.00 0.00 O ATOM 337 OD2 ASP 1 26 5.163 4.537 16.094 1.00 0.00 O ATOM 0 H ASP 1 26 6.207 7.792 12.061 1.00 0.00 H new ATOM 0 HA ASP 1 26 7.247 5.847 13.839 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 5.568 7.552 15.180 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 4.411 6.384 14.575 1.00 0.00 H new ATOM 342 N ARG 1 27 5.047 4.329 13.061 1.00 0.00 N ATOM 343 CA ARG 1 27 4.316 3.388 12.218 1.00 0.00 C ATOM 344 C ARG 1 27 5.189 2.899 11.058 1.00 0.00 C ATOM 345 O ARG 1 27 6.026 2.015 11.239 1.00 0.00 O ATOM 346 CB ARG 1 27 3.022 4.031 11.704 1.00 0.00 C ATOM 347 CG ARG 1 27 2.248 3.154 10.731 1.00 0.00 C ATOM 348 CD ARG 1 27 0.749 3.239 10.972 1.00 0.00 C ATOM 349 NE ARG 1 27 0.243 2.071 11.689 1.00 0.00 N ATOM 350 CZ ARG 1 27 -0.927 2.041 12.324 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -1.713 3.110 12.333 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -1.312 0.938 12.951 1.00 0.00 N ATOM 0 H ARG 1 27 5.112 4.052 14.041 1.00 0.00 H new ATOM 0 HA ARG 1 27 4.051 2.518 12.819 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 2.382 4.268 12.554 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 3.265 4.974 11.215 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 2.471 3.459 9.709 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.575 2.119 10.833 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 0.524 4.140 11.542 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.233 3.330 10.016 1.00 0.00 H new ATOM 0 HE ARG 1 27 0.819 1.230 11.704 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -1.422 3.961 11.852 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -2.608 3.081 12.821 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -0.712 0.113 12.947 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -2.208 0.914 13.438 1.00 0.00 H new ATOM 366 N CYS 1 28 4.999 3.474 9.873 1.00 0.00 N ATOM 367 CA CYS 1 28 5.780 3.088 8.706 1.00 0.00 C ATOM 368 C CYS 1 28 5.754 4.191 7.653 1.00 0.00 C ATOM 369 O CYS 1 28 5.867 3.925 6.457 1.00 0.00 O ATOM 370 CB CYS 1 28 5.254 1.776 8.115 1.00 0.00 C ATOM 371 SG CYS 1 28 3.606 1.904 7.347 1.00 0.00 S ATOM 0 H CYS 1 28 4.312 4.207 9.698 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.812 2.936 9.022 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 5.963 1.418 7.368 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 5.216 1.025 8.904 1.00 0.00 H new ATOM 376 N CYS 1 29 5.608 5.431 8.112 1.00 0.00 N ATOM 377 CA CYS 1 29 5.574 6.578 7.211 1.00 0.00 C ATOM 378 C CYS 1 29 5.918 7.863 7.948 1.00 0.00 C ATOM 379 O CYS 1 29 5.769 7.959 9.166 1.00 0.00 O ATOM 380 CB CYS 1 29 4.206 6.677 6.523 1.00 0.00 C ATOM 381 SG CYS 1 29 3.012 7.800 7.322 1.00 0.00 S ATOM 0 H CYS 1 29 5.512 5.666 9.100 1.00 0.00 H new ATOM 0 HA CYS 1 29 6.331 6.433 6.440 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 4.358 7.006 5.495 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.768 5.680 6.477 1.00 0.00 H new ATOM 386 N ASN 1 30 6.408 8.837 7.196 1.00 0.00 N ATOM 387 CA ASN 1 30 6.812 10.112 7.762 1.00 0.00 C ATOM 388 C ASN 1 30 5.934 11.261 7.308 1.00 0.00 C ATOM 389 O ASN 1 30 5.927 11.636 6.135 1.00 0.00 O ATOM 390 CB ASN 1 30 8.249 10.404 7.374 1.00 0.00 C ATOM 391 CG ASN 1 30 9.133 10.675 8.571 1.00 0.00 C ATOM 392 OD1 ASN 1 30 8.815 11.505 9.422 1.00 0.00 O ATOM 393 ND2 ASN 1 30 10.252 9.972 8.636 1.00 0.00 N ATOM 0 H ASN 1 30 6.535 8.766 6.186 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.709 10.029 8.844 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.649 9.558 6.816 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.273 11.266 6.707 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.895 10.107 9.417 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.472 9.295 7.906 1.00 0.00 H new ATOM 400 N ALA 1 31 5.247 11.851 8.268 1.00 0.00 N ATOM 401 CA ALA 1 31 4.415 13.008 8.011 1.00 0.00 C ATOM 402 C ALA 1 31 5.297 14.253 7.979 1.00 0.00 C ATOM 403 O ALA 1 31 4.834 15.354 7.681 1.00 0.00 O ATOM 404 CB ALA 1 31 3.333 13.129 9.078 1.00 0.00 C ATOM 0 H ALA 1 31 5.250 11.544 9.241 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.917 12.900 7.048 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.715 14.003 8.872 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.711 12.234 9.068 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.799 13.236 10.058 1.00 0.00 H new ATOM 410 N ALA 1 32 6.580 14.058 8.307 1.00 0.00 N ATOM 411 CA ALA 1 32 7.544 15.151 8.340 1.00 0.00 C ATOM 412 C ALA 1 32 8.453 15.156 7.109 1.00 0.00 C ATOM 413 O ALA 1 32 8.780 16.218 6.580 1.00 0.00 O ATOM 414 CB ALA 1 32 8.373 15.067 9.610 1.00 0.00 C ATOM 0 H ALA 1 32 6.970 13.148 8.553 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.985 16.087 8.329 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 9.092 15.886 9.630 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.717 15.138 10.478 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.905 14.116 9.635 1.00 0.00 H new ATOM 420 N THR 1 33 8.866 13.972 6.656 1.00 0.00 N ATOM 421 CA THR 1 33 9.742 13.874 5.487 1.00 0.00 C ATOM 422 C THR 1 33 8.939 13.729 4.201 1.00 0.00 C ATOM 423 O THR 1 33 9.506 13.692 3.109 1.00 0.00 O ATOM 424 CB THR 1 33 10.708 12.697 5.618 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.065 11.565 6.151 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.899 12.996 6.498 1.00 0.00 C ATOM 0 H THR 1 33 8.612 13.077 7.074 1.00 0.00 H new ATOM 0 HA THR 1 33 10.315 14.800 5.441 1.00 0.00 H new ATOM 0 HB THR 1 33 11.057 12.508 4.603 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.706 10.828 6.222 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.544 12.119 6.548 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.458 13.834 6.081 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.556 13.251 7.501 1.00 0.00 H new ATOM 434 N CYS 1 34 7.621 13.661 4.335 1.00 0.00 N ATOM 435 CA CYS 1 34 6.738 13.542 3.186 1.00 0.00 C ATOM 436 C CYS 1 34 6.890 12.186 2.485 1.00 0.00 C ATOM 437 O CYS 1 34 6.789 12.098 1.266 1.00 0.00 O ATOM 438 CB CYS 1 34 6.980 14.723 2.219 1.00 0.00 C ATOM 439 SG CYS 1 34 6.460 14.472 0.482 1.00 0.00 S ATOM 0 H CYS 1 34 7.139 13.687 5.234 1.00 0.00 H new ATOM 0 HA CYS 1 34 5.707 13.587 3.536 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 6.458 15.597 2.609 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.044 14.958 2.226 1.00 0.00 H new ATOM 444 N LYS 1 35 7.103 11.112 3.246 1.00 0.00 N ATOM 445 CA LYS 1 35 7.215 9.799 2.624 1.00 0.00 C ATOM 446 C LYS 1 35 7.306 8.677 3.641 1.00 0.00 C ATOM 447 O LYS 1 35 7.651 8.888 4.803 1.00 0.00 O ATOM 448 CB LYS 1 35 8.422 9.738 1.697 1.00 0.00 C ATOM 449 CG LYS 1 35 8.053 9.693 0.223 1.00 0.00 C ATOM 450 CD LYS 1 35 8.523 10.937 -0.513 1.00 0.00 C ATOM 451 CE LYS 1 35 9.790 10.668 -1.309 1.00 0.00 C ATOM 452 NZ LYS 1 35 10.717 11.833 -1.289 1.00 0.00 N ATOM 0 H LYS 1 35 7.198 11.124 4.261 1.00 0.00 H new ATOM 0 HA LYS 1 35 6.301 9.656 2.048 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.054 10.607 1.879 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.014 8.856 1.942 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.496 8.809 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 6.972 9.597 0.121 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 7.737 11.283 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.705 11.738 0.204 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 10.297 9.794 -0.900 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 9.527 10.431 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 11.568 11.609 -1.843 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 10.243 12.661 -1.703 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 10.988 12.044 -0.307 1.00 0.00 H new ATOM 466 N LEU 1 36 7.004 7.474 3.169 1.00 0.00 N ATOM 467 CA LEU 1 36 7.056 6.280 4.003 1.00 0.00 C ATOM 468 C LEU 1 36 8.409 6.175 4.705 1.00 0.00 C ATOM 469 O LEU 1 36 9.376 6.822 4.302 1.00 0.00 O ATOM 470 CB LEU 1 36 6.809 5.029 3.156 1.00 0.00 C ATOM 471 CG LEU 1 36 7.717 4.885 1.931 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.090 3.427 1.710 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.037 5.455 0.694 1.00 0.00 C ATOM 0 H LEU 1 36 6.718 7.299 2.206 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.275 6.356 4.759 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.936 4.150 3.788 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 5.772 5.034 2.822 1.00 0.00 H new ATOM 0 HG LEU 1 36 8.632 5.449 2.113 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.735 3.345 0.835 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.617 3.049 2.586 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.185 2.840 1.550 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 7.696 5.344 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.107 4.918 0.510 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 6.821 6.512 0.852 1.00 0.00 H new ATOM 485 N THR 1 37 8.475 5.364 5.756 1.00 0.00 N ATOM 486 CA THR 1 37 9.716 5.189 6.504 1.00 0.00 C ATOM 487 C THR 1 37 10.341 3.826 6.223 1.00 0.00 C ATOM 488 O THR 1 37 9.673 2.918 5.728 1.00 0.00 O ATOM 489 CB THR 1 37 9.461 5.342 8.004 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.293 4.643 8.390 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.300 6.781 8.437 1.00 0.00 C ATOM 0 H THR 1 37 7.688 4.820 6.108 1.00 0.00 H new ATOM 0 HA THR 1 37 10.413 5.961 6.178 1.00 0.00 H new ATOM 0 HB THR 1 37 10.344 4.929 8.491 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.149 4.753 9.353 1.00 0.00 H new ATOM 0 HG21 THR 1 37 9.122 6.820 9.512 1.00 0.00 H new ATOM 0 HG22 THR 1 37 10.207 7.336 8.199 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.455 7.226 7.913 1.00 0.00 H new ATOM 499 N PRO 1 38 11.639 3.664 6.540 1.00 0.00 N ATOM 500 CA PRO 1 38 12.357 2.405 6.324 1.00 0.00 C ATOM 501 C PRO 1 38 11.535 1.187 6.733 1.00 0.00 C ATOM 502 O PRO 1 38 10.819 1.216 7.734 1.00 0.00 O ATOM 503 CB PRO 1 38 13.581 2.556 7.224 1.00 0.00 C ATOM 504 CG PRO 1 38 13.855 4.019 7.230 1.00 0.00 C ATOM 505 CD PRO 1 38 12.512 4.697 7.137 1.00 0.00 C ATOM 0 HA PRO 1 38 12.595 2.238 5.273 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.384 2.184 8.229 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.431 1.994 6.837 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.378 4.314 8.140 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.492 4.300 6.391 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.152 5.008 8.118 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.557 5.591 6.516 1.00 0.00 H new ATOM 513 N GLY 1 39 11.636 0.121 5.947 1.00 0.00 N ATOM 514 CA GLY 1 39 10.890 -1.088 6.239 1.00 0.00 C ATOM 515 C GLY 1 39 9.611 -1.179 5.431 1.00 0.00 C ATOM 516 O GLY 1 39 9.141 -2.273 5.119 1.00 0.00 O ATOM 0 H GLY 1 39 12.221 0.073 5.113 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 11.513 -1.957 6.029 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 10.650 -1.117 7.302 1.00 0.00 H new ATOM 520 N SER 1 40 9.050 -0.023 5.090 1.00 0.00 N ATOM 521 CA SER 1 40 7.819 0.031 4.310 1.00 0.00 C ATOM 522 C SER 1 40 8.106 -0.231 2.835 1.00 0.00 C ATOM 523 O SER 1 40 8.711 0.597 2.154 1.00 0.00 O ATOM 524 CB SER 1 40 7.143 1.393 4.479 1.00 0.00 C ATOM 525 OG SER 1 40 5.739 1.289 4.322 1.00 0.00 O ATOM 0 H SER 1 40 9.429 0.890 5.342 1.00 0.00 H new ATOM 0 HA SER 1 40 7.147 -0.745 4.676 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.373 1.797 5.465 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.543 2.094 3.747 1.00 0.00 H new ATOM 0 HG SER 1 40 5.331 2.173 4.436 1.00 0.00 H new ATOM 531 N GLN 1 41 7.671 -1.389 2.349 1.00 0.00 N ATOM 532 CA GLN 1 41 7.886 -1.761 0.956 1.00 0.00 C ATOM 533 C GLN 1 41 6.986 -0.955 0.025 1.00 0.00 C ATOM 534 O GLN 1 41 7.321 -0.735 -1.139 1.00 0.00 O ATOM 535 CB GLN 1 41 7.627 -3.257 0.760 1.00 0.00 C ATOM 536 CG GLN 1 41 8.863 -4.119 0.959 1.00 0.00 C ATOM 537 CD GLN 1 41 9.536 -4.484 -0.350 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.936 -5.629 -0.557 1.00 0.00 O ATOM 539 NE2 GLN 1 41 9.665 -3.508 -1.241 1.00 0.00 N ATOM 0 H GLN 1 41 7.168 -2.085 2.899 1.00 0.00 H new ATOM 0 HA GLN 1 41 8.924 -1.539 0.707 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 6.854 -3.578 1.458 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.237 -3.421 -0.245 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.573 -3.588 1.593 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.584 -5.031 1.487 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 9.318 -2.573 -1.027 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.111 -3.693 -2.140 1.00 0.00 H new ATOM 548 N CYS 1 42 5.841 -0.519 0.541 1.00 0.00 N ATOM 549 CA CYS 1 42 4.898 0.258 -0.253 1.00 0.00 C ATOM 550 C CYS 1 42 3.988 1.095 0.636 1.00 0.00 C ATOM 551 O CYS 1 42 3.567 0.654 1.706 1.00 0.00 O ATOM 552 CB CYS 1 42 4.057 -0.668 -1.129 1.00 0.00 C ATOM 553 SG CYS 1 42 2.887 0.205 -2.218 1.00 0.00 S ATOM 0 H CYS 1 42 5.545 -0.690 1.502 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.471 0.933 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.723 -1.276 -1.741 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.500 -1.351 -0.488 1.00 0.00 H new ATOM 558 N ASN 1 43 3.685 2.305 0.180 1.00 0.00 N ATOM 559 CA ASN 1 43 2.819 3.207 0.927 1.00 0.00 C ATOM 560 C ASN 1 43 1.362 2.786 0.786 1.00 0.00 C ATOM 561 O ASN 1 43 0.583 2.866 1.735 1.00 0.00 O ATOM 562 CB ASN 1 43 2.996 4.643 0.432 1.00 0.00 C ATOM 563 CG ASN 1 43 2.877 4.755 -1.076 1.00 0.00 C ATOM 564 OD1 ASN 1 43 1.828 4.465 -1.651 1.00 0.00 O ATOM 565 ND2 ASN 1 43 3.956 5.178 -1.724 1.00 0.00 N ATOM 0 H ASN 1 43 4.027 2.683 -0.704 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.098 3.158 1.980 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.247 5.281 0.901 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 3.972 5.014 0.745 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 3.936 5.274 -2.739 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 4.805 5.407 -1.206 1.00 0.00 H new ATOM 572 N TYR 1 44 1.006 2.332 -0.409 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.354 1.889 -0.689 1.00 0.00 C ATOM 574 C TYR 1 44 -0.458 1.345 -2.110 1.00 0.00 C ATOM 575 O TYR 1 44 0.419 1.579 -2.940 1.00 0.00 O ATOM 576 CB TYR 1 44 -1.348 3.038 -0.487 1.00 0.00 C ATOM 577 CG TYR 1 44 -1.310 4.084 -1.581 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.802 3.806 -2.851 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.781 5.345 -1.343 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.768 4.755 -3.852 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.743 6.302 -2.339 1.00 0.00 C ATOM 582 CZ TYR 1 44 -1.238 6.002 -3.592 1.00 0.00 C ATOM 583 OH TYR 1 44 -1.202 6.952 -4.587 1.00 0.00 O ATOM 0 H TYR 1 44 1.643 2.261 -1.203 1.00 0.00 H new ATOM 0 HA TYR 1 44 -0.602 1.089 0.009 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -2.356 2.627 -0.426 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -1.142 3.519 0.469 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -2.218 2.831 -3.058 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.393 5.582 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -2.154 4.523 -4.834 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -0.328 7.279 -2.138 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.799 7.775 -4.239 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.535 0.619 -2.383 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.729 0.054 -3.704 1.00 0.00 C ATOM 595 C GLY 1 45 -2.354 -1.326 -3.658 1.00 0.00 C ATOM 596 O GLY 1 45 -2.719 -1.816 -2.589 1.00 0.00 O ATOM 0 H GLY 1 45 -2.277 0.412 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.364 0.718 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.769 -0.002 -4.216 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.475 -1.954 -4.822 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.061 -3.285 -4.916 1.00 0.00 C ATOM 602 C GLU 1 46 -2.304 -4.282 -4.047 1.00 0.00 C ATOM 603 O GLU 1 46 -2.906 -5.099 -3.350 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.048 -3.760 -6.368 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.140 -3.138 -7.223 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.138 -1.623 -7.162 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -4.678 -1.068 -6.182 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -3.596 -0.992 -8.093 1.00 0.00 O ATOM 0 H GLU 1 46 -2.175 -1.562 -5.714 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.089 -3.226 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.078 -3.529 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.157 -4.844 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.012 -3.456 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.110 -3.510 -6.893 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.982 -4.214 -4.106 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.130 -5.114 -3.340 1.00 0.00 C ATOM 617 C CYS 1 47 0.531 -4.391 -2.174 1.00 0.00 C ATOM 618 O CYS 1 47 1.689 -4.646 -1.862 1.00 0.00 O ATOM 619 CB CYS 1 47 0.949 -5.701 -4.245 1.00 0.00 C ATOM 620 SG CYS 1 47 0.419 -7.160 -5.186 1.00 0.00 S ATOM 0 H CYS 1 47 -0.473 -3.541 -4.680 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.757 -5.912 -2.942 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.279 -4.932 -4.944 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.812 -5.969 -3.636 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.194 -3.483 -1.536 1.00 0.00 N ATOM 626 CA CYS 1 48 0.364 -2.736 -0.418 1.00 0.00 C ATOM 627 C CYS 1 48 -0.559 -2.780 0.792 1.00 0.00 C ATOM 628 O CYS 1 48 -1.557 -2.063 0.855 1.00 0.00 O ATOM 629 CB CYS 1 48 0.630 -1.291 -0.837 1.00 0.00 C ATOM 630 SG CYS 1 48 1.388 -1.136 -2.489 1.00 0.00 S ATOM 0 H CYS 1 48 -1.159 -3.248 -1.770 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.307 -3.203 -0.132 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -0.310 -0.739 -0.825 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.284 -0.823 -0.101 1.00 0.00 H new ATOM 635 N ASP 1 49 -0.211 -3.630 1.751 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.997 -3.779 2.966 1.00 0.00 C ATOM 637 C ASP 1 49 -0.089 -3.969 4.175 1.00 0.00 C ATOM 638 O ASP 1 49 0.821 -4.798 4.159 1.00 0.00 O ATOM 639 CB ASP 1 49 -1.953 -4.966 2.839 1.00 0.00 C ATOM 640 CG ASP 1 49 -3.274 -4.723 3.543 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -4.172 -4.114 2.926 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -3.409 -5.142 4.712 1.00 0.00 O ATOM 0 H ASP 1 49 0.614 -4.228 1.708 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.580 -2.869 3.108 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -2.139 -5.168 1.784 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -1.481 -5.856 3.256 1.00 0.00 H new ATOM 647 N GLN 1 50 -0.342 -3.192 5.221 1.00 0.00 N ATOM 648 CA GLN 1 50 0.450 -3.270 6.445 1.00 0.00 C ATOM 649 C GLN 1 50 1.894 -2.842 6.195 1.00 0.00 C ATOM 650 O GLN 1 50 2.815 -3.310 6.864 1.00 0.00 O ATOM 651 CB GLN 1 50 0.419 -4.692 7.011 1.00 0.00 C ATOM 652 CG GLN 1 50 0.429 -4.742 8.530 1.00 0.00 C ATOM 653 CD GLN 1 50 -0.195 -6.012 9.075 1.00 0.00 C ATOM 654 OE1 GLN 1 50 0.496 -6.998 9.330 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -1.511 -5.994 9.256 1.00 0.00 N ATOM 0 H GLN 1 50 -1.090 -2.499 5.247 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.010 -2.587 7.171 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -0.473 -5.201 6.645 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.279 -5.244 6.632 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 1.456 -4.665 8.886 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -0.110 -3.879 8.922 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -2.045 -5.155 9.031 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -1.987 -6.819 9.620 1.00 0.00 H new ATOM 664 N CYS 1 51 2.082 -1.944 5.233 1.00 0.00 N ATOM 665 CA CYS 1 51 3.414 -1.445 4.898 1.00 0.00 C ATOM 666 C CYS 1 51 4.290 -2.554 4.317 1.00 0.00 C ATOM 667 O CYS 1 51 5.515 -2.509 4.429 1.00 0.00 O ATOM 668 CB CYS 1 51 4.090 -0.842 6.136 1.00 0.00 C ATOM 669 SG CYS 1 51 2.946 -0.015 7.292 1.00 0.00 S ATOM 0 H CYS 1 51 1.330 -1.546 4.671 1.00 0.00 H new ATOM 0 HA CYS 1 51 3.296 -0.668 4.142 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 4.617 -1.634 6.669 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 4.841 -0.122 5.810 1.00 0.00 H new ATOM 674 N ARG 1 52 3.657 -3.544 3.695 1.00 0.00 N ATOM 675 CA ARG 1 52 4.384 -4.659 3.094 1.00 0.00 C ATOM 676 C ARG 1 52 3.631 -5.204 1.885 1.00 0.00 C ATOM 677 O ARG 1 52 2.412 -5.063 1.791 1.00 0.00 O ATOM 678 CB ARG 1 52 4.597 -5.771 4.123 1.00 0.00 C ATOM 679 CG ARG 1 52 5.742 -5.500 5.085 1.00 0.00 C ATOM 680 CD ARG 1 52 7.047 -5.259 4.344 1.00 0.00 C ATOM 681 NE ARG 1 52 8.201 -5.746 5.095 1.00 0.00 N ATOM 682 CZ ARG 1 52 8.632 -5.199 6.230 1.00 0.00 C ATOM 683 NH1 ARG 1 52 8.007 -4.148 6.747 1.00 0.00 N ATOM 684 NH2 ARG 1 52 9.689 -5.704 6.849 1.00 0.00 N ATOM 0 H ARG 1 52 2.643 -3.598 3.594 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.356 -4.293 2.762 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 3.678 -5.907 4.694 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 4.788 -6.708 3.599 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 5.505 -4.631 5.699 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 5.858 -6.346 5.762 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.010 -5.755 3.374 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.163 -4.192 4.152 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.707 -6.553 4.729 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.193 -3.756 6.275 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 8.341 -3.733 7.617 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 10.172 -6.512 6.456 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 10.019 -5.285 7.718 1.00 0.00 H new ATOM 698 N PHE 1 53 4.357 -5.827 0.959 1.00 0.00 N ATOM 699 CA PHE 1 53 3.735 -6.382 -0.236 1.00 0.00 C ATOM 700 C PHE 1 53 2.808 -7.532 0.119 1.00 0.00 C ATOM 701 O PHE 1 53 3.159 -8.408 0.909 1.00 0.00 O ATOM 702 CB PHE 1 53 4.789 -6.858 -1.244 1.00 0.00 C ATOM 703 CG PHE 1 53 5.450 -5.742 -2.005 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.771 -4.563 -2.263 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.748 -5.876 -2.468 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.368 -3.541 -2.964 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.354 -4.854 -3.174 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.663 -3.684 -3.422 1.00 0.00 C ATOM 0 H PHE 1 53 5.367 -5.958 1.014 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.150 -5.586 -0.696 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.554 -7.427 -0.715 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.318 -7.539 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.758 -4.444 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.293 -6.789 -2.275 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.825 -2.628 -3.156 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.367 -4.970 -3.531 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.134 -2.883 -3.973 1.00 0.00 H new ATOM 718 N LYS 1 54 1.622 -7.525 -0.476 1.00 0.00 N ATOM 719 CA LYS 1 54 0.643 -8.575 -0.226 1.00 0.00 C ATOM 720 C LYS 1 54 1.209 -9.933 -0.622 1.00 0.00 C ATOM 721 O LYS 1 54 1.209 -10.292 -1.797 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.646 -8.297 -1.002 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.494 -7.191 -0.396 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.251 -7.678 0.829 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.642 -7.068 0.904 1.00 0.00 C ATOM 726 NZ LYS 1 54 -4.245 -7.225 2.256 1.00 0.00 N ATOM 0 H LYS 1 54 1.316 -6.807 -1.132 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.415 -8.587 0.840 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.392 -8.028 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -1.237 -9.212 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -0.856 -6.351 -0.121 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -2.201 -6.824 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.330 -8.765 0.801 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -1.692 -7.423 1.729 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.588 -6.009 0.651 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -4.286 -7.540 0.162 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -4.889 -6.430 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.776 -8.118 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -3.492 -7.236 2.973 1.00 0.00 H new ATOM 740 N LYS 1 55 1.700 -10.680 0.367 1.00 0.00 N ATOM 741 CA LYS 1 55 2.284 -12.004 0.132 1.00 0.00 C ATOM 742 C LYS 1 55 1.679 -12.678 -1.096 1.00 0.00 C ATOM 743 O LYS 1 55 0.455 -12.773 -1.226 1.00 0.00 O ATOM 744 CB LYS 1 55 2.087 -12.893 1.362 1.00 0.00 C ATOM 745 CG LYS 1 55 2.751 -14.254 1.241 1.00 0.00 C ATOM 746 CD LYS 1 55 4.180 -14.224 1.758 1.00 0.00 C ATOM 747 CE LYS 1 55 5.077 -15.166 0.970 1.00 0.00 C ATOM 748 NZ LYS 1 55 4.467 -16.515 0.816 1.00 0.00 N ATOM 0 H LYS 1 55 1.705 -10.390 1.345 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.350 -11.866 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 2.485 -12.380 2.238 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.019 -13.033 1.532 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 2.176 -14.992 1.801 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 2.747 -14.571 0.198 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 4.570 -13.208 1.693 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 4.193 -14.504 2.811 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 5.273 -14.742 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 6.039 -15.258 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 5.206 -17.205 0.572 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 4.013 -16.795 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 3.754 -16.489 0.059 1.00 0.00 H new ATOM 762 N ALA 1 56 2.544 -13.137 -2.001 1.00 0.00 N ATOM 763 CA ALA 1 56 2.096 -13.794 -3.221 1.00 0.00 C ATOM 764 C ALA 1 56 0.934 -14.731 -2.934 1.00 0.00 C ATOM 765 O ALA 1 56 1.008 -15.574 -2.040 1.00 0.00 O ATOM 766 CB ALA 1 56 3.232 -14.561 -3.871 1.00 0.00 C ATOM 0 H ALA 1 56 3.557 -13.064 -1.909 1.00 0.00 H new ATOM 0 HA ALA 1 56 1.759 -13.020 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 2.872 -15.043 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.040 -13.873 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 3.601 -15.319 -3.180 1.00 0.00 H new ATOM 772 N GLY 1 57 -0.144 -14.562 -3.679 1.00 0.00 N ATOM 773 CA GLY 1 57 -1.316 -15.387 -3.468 1.00 0.00 C ATOM 774 C GLY 1 57 -2.504 -14.565 -3.017 1.00 0.00 C ATOM 775 O GLY 1 57 -3.631 -15.058 -2.979 1.00 0.00 O ATOM 0 H GLY 1 57 -0.231 -13.871 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.564 -15.910 -4.392 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -1.095 -16.149 -2.720 1.00 0.00 H new ATOM 779 N THR 1 58 -2.253 -13.299 -2.690 1.00 0.00 N ATOM 780 CA THR 1 58 -3.311 -12.397 -2.262 1.00 0.00 C ATOM 781 C THR 1 58 -4.069 -11.862 -3.474 1.00 0.00 C ATOM 782 O THR 1 58 -3.560 -11.012 -4.204 1.00 0.00 O ATOM 783 CB THR 1 58 -2.721 -11.233 -1.464 1.00 0.00 C ATOM 784 OG1 THR 1 58 -2.047 -11.704 -0.311 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.763 -10.236 -1.013 1.00 0.00 C ATOM 0 H THR 1 58 -1.324 -12.878 -2.714 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.003 -12.949 -1.626 1.00 0.00 H new ATOM 0 HB THR 1 58 -2.031 -10.734 -2.144 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -1.181 -12.083 -0.570 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -3.281 -9.435 -0.452 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -4.267 -9.817 -1.884 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -4.493 -10.736 -0.377 1.00 0.00 H new ATOM 793 N VAL 1 59 -5.281 -12.365 -3.691 1.00 0.00 N ATOM 794 CA VAL 1 59 -6.086 -11.926 -4.825 1.00 0.00 C ATOM 795 C VAL 1 59 -6.447 -10.450 -4.703 1.00 0.00 C ATOM 796 O VAL 1 59 -7.135 -10.047 -3.765 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.388 -12.746 -4.962 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -8.254 -12.590 -3.722 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -8.154 -12.332 -6.214 1.00 0.00 C ATOM 0 H VAL 1 59 -5.724 -13.070 -3.102 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.476 -12.084 -5.714 1.00 0.00 H new ATOM 0 HB VAL 1 59 -7.122 -13.799 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -9.166 -13.175 -3.839 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.706 -12.943 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.512 -11.539 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.068 -12.921 -6.293 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.408 -11.274 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.534 -12.505 -7.094 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.990 -9.649 -5.658 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.282 -8.219 -5.650 1.00 0.00 C ATOM 811 C CYS 1 60 -7.295 -7.859 -6.734 1.00 0.00 C ATOM 812 O CYS 1 60 -7.942 -6.814 -6.668 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.010 -7.398 -5.859 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.557 -8.018 -4.957 1.00 0.00 S ATOM 0 H CYS 1 60 -5.419 -9.962 -6.443 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.705 -7.982 -4.674 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.778 -7.375 -6.924 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.201 -6.370 -5.552 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.414 -8.721 -7.739 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.333 -8.484 -8.847 1.00 0.00 C ATOM 821 C ARG 1 61 -8.798 -9.795 -9.476 1.00 0.00 C ATOM 822 O ARG 1 61 -8.426 -10.882 -9.035 1.00 0.00 O ATOM 823 CB ARG 1 61 -7.655 -7.625 -9.918 1.00 0.00 C ATOM 824 CG ARG 1 61 -7.767 -6.129 -9.679 1.00 0.00 C ATOM 825 CD ARG 1 61 -6.409 -5.446 -9.764 1.00 0.00 C ATOM 826 NE ARG 1 61 -5.645 -5.867 -10.939 1.00 0.00 N ATOM 827 CZ ARG 1 61 -4.608 -5.191 -11.429 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -4.225 -4.051 -10.868 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -3.953 -5.655 -12.484 1.00 0.00 N ATOM 0 H ARG 1 61 -6.885 -9.590 -7.809 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.203 -7.963 -8.448 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -6.600 -7.895 -9.971 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.093 -7.861 -10.888 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -8.442 -5.692 -10.415 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -8.205 -5.948 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -6.550 -4.366 -9.794 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -5.837 -5.668 -8.863 1.00 0.00 H new ATOM 0 HE ARG 1 61 -5.923 -6.728 -11.410 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -4.726 -3.688 -10.057 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -3.430 -3.538 -11.248 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.244 -6.530 -12.920 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -3.159 -5.137 -12.859 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.603 -9.670 -10.523 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.123 -10.817 -11.251 1.00 0.00 C ATOM 845 C ILE 1 62 -10.966 -10.341 -12.422 1.00 0.00 C ATOM 846 O ILE 1 62 -11.789 -9.437 -12.281 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.968 -11.743 -10.354 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.638 -12.847 -11.181 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.014 -10.937 -9.608 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.661 -13.729 -11.927 1.00 0.00 C ATOM 0 H ILE 1 62 -9.913 -8.770 -10.890 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.268 -11.391 -11.608 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.304 -12.217 -9.631 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.242 -13.468 -10.519 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.320 -12.388 -11.898 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.605 -11.602 -8.978 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.522 -10.190 -8.986 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.668 -10.439 -10.324 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.209 -14.485 -12.489 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.074 -13.121 -12.615 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.995 -14.217 -11.216 1.00 0.00 H new ATOM 862 N ALA 1 63 -10.748 -10.943 -13.578 1.00 0.00 N ATOM 863 CA ALA 1 63 -11.484 -10.564 -14.774 1.00 0.00 C ATOM 864 C ALA 1 63 -12.995 -10.698 -14.558 1.00 0.00 C ATOM 865 O ALA 1 63 -13.624 -9.791 -14.013 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.000 -11.365 -15.976 1.00 0.00 C ATOM 0 H ALA 1 63 -10.071 -11.693 -13.715 1.00 0.00 H new ATOM 0 HA ALA 1 63 -11.289 -9.512 -14.984 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -11.562 -11.068 -16.861 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -9.939 -11.173 -16.138 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.152 -12.428 -15.790 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.581 -11.822 -14.969 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.015 -12.033 -14.791 1.00 0.00 C ATOM 874 C ARG 1 64 -15.322 -13.486 -14.439 1.00 0.00 C ATOM 875 O ARG 1 64 -15.628 -14.292 -15.315 1.00 0.00 O ATOM 876 CB ARG 1 64 -15.770 -11.636 -16.061 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.136 -11.027 -15.791 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.017 -9.651 -15.156 1.00 0.00 C ATOM 879 NE ARG 1 64 -16.916 -8.592 -16.157 1.00 0.00 N ATOM 880 CZ ARG 1 64 -16.578 -7.336 -15.877 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -16.307 -6.977 -14.628 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -16.510 -6.435 -16.848 1.00 0.00 N ATOM 0 H ARG 1 64 -13.090 -12.592 -15.423 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.345 -11.404 -13.964 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.168 -10.922 -16.624 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -15.892 -12.517 -16.691 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -17.693 -10.951 -16.725 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.705 -11.684 -15.134 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -17.884 -9.468 -14.522 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -16.139 -9.624 -14.511 1.00 0.00 H new ATOM 0 HE ARG 1 64 -17.117 -8.830 -17.128 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -16.357 -7.666 -13.877 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -16.048 -6.013 -14.419 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -16.717 -6.705 -17.810 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -16.251 -5.472 -16.633 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.257 -13.815 -13.156 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.539 -15.173 -12.733 1.00 0.00 C ATOM 898 C GLY 1 65 -14.417 -15.763 -11.909 1.00 0.00 C ATOM 899 O GLY 1 65 -14.252 -15.427 -10.736 1.00 0.00 O ATOM 0 H GLY 1 65 -15.015 -13.170 -12.404 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.460 -15.186 -12.150 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.709 -15.797 -13.611 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.638 -16.642 -12.528 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.518 -17.279 -11.848 1.00 0.00 C ATOM 905 C ASP 1 66 -11.803 -18.266 -12.764 1.00 0.00 C ATOM 906 O ASP 1 66 -12.150 -19.446 -12.823 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.993 -17.992 -10.580 1.00 0.00 C ATOM 908 CG ASP 1 66 -14.174 -18.905 -10.838 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -15.300 -18.389 -10.997 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.974 -20.138 -10.881 1.00 0.00 O ATOM 0 H ASP 1 66 -13.761 -16.929 -13.499 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.812 -16.496 -11.571 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.171 -18.575 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -13.268 -17.250 -9.831 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.795 -17.769 -13.469 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.007 -18.589 -14.383 1.00 0.00 C ATOM 917 C TRP 1 67 -8.546 -18.580 -13.962 1.00 0.00 C ATOM 918 O TRP 1 67 -8.003 -19.584 -13.502 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.129 -18.063 -15.820 1.00 0.00 C ATOM 920 CG TRP 1 67 -10.875 -16.767 -15.928 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.483 -15.539 -15.466 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.151 -16.575 -16.537 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.444 -14.605 -15.747 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.475 -15.214 -16.408 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.051 -17.424 -17.181 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -13.659 -14.683 -16.898 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.231 -16.896 -17.670 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.526 -15.535 -17.526 1.00 0.00 C ATOM 0 H TRP 1 67 -10.501 -16.793 -13.425 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.389 -19.609 -14.346 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.130 -17.932 -16.235 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.632 -18.813 -16.430 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.553 -15.337 -14.955 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.398 -13.616 -15.503 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -12.830 -18.475 -17.295 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -13.889 -13.633 -16.788 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -14.936 -17.543 -18.171 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.456 -15.150 -17.918 1.00 0.00 H new ATOM 939 N ASN 1 68 -7.932 -17.420 -14.121 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.537 -17.219 -13.763 1.00 0.00 C ATOM 941 C ASN 1 68 -6.451 -16.413 -12.474 1.00 0.00 C ATOM 942 O ASN 1 68 -5.550 -16.610 -11.659 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.801 -16.489 -14.890 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.316 -16.874 -16.267 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.482 -16.349 -16.634 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -5.673 -17.635 -16.991 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.386 -16.590 -14.502 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.065 -18.190 -13.611 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -5.909 -15.413 -14.753 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.736 -16.713 -14.828 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -4.783 -18.015 -16.669 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.031 -17.886 -17.913 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.413 -15.511 -12.297 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.478 -14.674 -11.107 1.00 0.00 C ATOM 955 C ASP 1 69 -6.249 -13.790 -10.976 1.00 0.00 C ATOM 956 O ASP 1 69 -5.147 -14.174 -11.369 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.610 -15.541 -9.859 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.048 -15.916 -9.560 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.740 -15.125 -8.886 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.482 -17.001 -10.002 1.00 0.00 O ATOM 0 H ASP 1 69 -8.162 -15.342 -12.969 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.354 -14.033 -11.207 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.021 -16.449 -9.988 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.192 -15.008 -9.005 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.444 -12.612 -10.400 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.350 -11.679 -10.191 1.00 0.00 C ATOM 967 C ASP 1 70 -4.735 -11.907 -8.822 1.00 0.00 C ATOM 968 O ASP 1 70 -5.434 -11.871 -7.811 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.841 -10.238 -10.309 1.00 0.00 C ATOM 970 CG ASP 1 70 -4.698 -9.250 -10.411 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.757 -9.349 -9.597 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -4.745 -8.378 -11.304 1.00 0.00 O ATOM 0 H ASP 1 70 -7.351 -12.281 -10.070 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.595 -11.850 -10.959 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.479 -10.144 -11.188 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.454 -9.993 -9.442 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.435 -12.171 -8.790 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.767 -12.438 -7.527 1.00 0.00 C ATOM 979 C TYR 1 71 -1.455 -11.701 -7.374 1.00 0.00 C ATOM 980 O TYR 1 71 -0.705 -11.517 -8.333 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.519 -13.929 -7.390 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.739 -14.669 -6.938 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -4.133 -14.617 -5.618 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.499 -15.406 -7.829 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -5.255 -15.281 -5.182 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.627 -16.075 -7.411 1.00 0.00 C ATOM 987 CZ TYR 1 71 -6.005 -16.012 -6.082 1.00 0.00 C ATOM 988 OH TYR 1 71 -7.130 -16.680 -5.656 1.00 0.00 O ATOM 0 H TYR 1 71 -2.832 -12.205 -9.612 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.430 -12.077 -6.741 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.188 -14.330 -8.348 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.711 -14.097 -6.678 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.549 -14.044 -4.913 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -4.203 -15.457 -8.866 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.548 -15.231 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -6.213 -16.645 -8.116 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.542 -17.144 -6.415 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.182 -11.301 -6.141 1.00 0.00 N ATOM 999 CA CYS 1 72 0.045 -10.601 -5.818 1.00 0.00 C ATOM 1000 C CYS 1 72 1.239 -11.535 -5.948 1.00 0.00 C ATOM 1001 O CYS 1 72 1.081 -12.756 -5.993 1.00 0.00 O ATOM 1002 CB CYS 1 72 -0.024 -10.042 -4.401 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.155 -8.694 -4.091 1.00 0.00 S ATOM 0 H CYS 1 72 -1.801 -11.452 -5.345 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.166 -9.776 -6.520 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -1.035 -9.680 -4.211 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.164 -10.848 -3.692 1.00 0.00 H new ATOM 1008 N THR 1 73 2.430 -10.957 -6.009 1.00 0.00 N ATOM 1009 CA THR 1 73 3.650 -11.742 -6.137 1.00 0.00 C ATOM 1010 C THR 1 73 4.622 -11.440 -4.996 1.00 0.00 C ATOM 1011 O THR 1 73 5.768 -11.888 -5.012 1.00 0.00 O ATOM 1012 CB THR 1 73 4.312 -11.461 -7.487 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.126 -10.303 -7.418 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.314 -11.254 -8.608 1.00 0.00 C ATOM 0 H THR 1 73 2.578 -9.948 -5.972 1.00 0.00 H new ATOM 0 HA THR 1 73 3.385 -12.798 -6.081 1.00 0.00 H new ATOM 0 HB THR 1 73 4.907 -12.347 -7.707 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.541 -10.142 -8.291 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.847 -11.059 -9.538 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.703 -12.149 -8.721 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.673 -10.404 -8.372 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.156 -10.681 -4.004 1.00 0.00 N ATOM 1023 CA GLY 1 74 4.995 -10.337 -2.869 1.00 0.00 C ATOM 1024 C GLY 1 74 6.327 -9.743 -3.282 1.00 0.00 C ATOM 1025 O GLY 1 74 7.302 -9.811 -2.532 1.00 0.00 O ATOM 0 H GLY 1 74 3.211 -10.299 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.466 -9.626 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.171 -11.230 -2.269 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.374 -9.162 -4.476 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.603 -8.559 -4.981 1.00 0.00 C ATOM 1031 C LYS 1 75 7.333 -7.207 -5.641 1.00 0.00 C ATOM 1032 O LYS 1 75 8.205 -6.658 -6.315 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.279 -9.495 -5.985 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.550 -10.888 -5.439 1.00 0.00 C ATOM 1035 CD LYS 1 75 8.118 -11.966 -6.420 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.293 -12.481 -7.235 1.00 0.00 C ATOM 1037 NZ LYS 1 75 9.828 -11.440 -8.157 1.00 0.00 N ATOM 0 H LYS 1 75 5.578 -9.096 -5.111 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.265 -8.398 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.649 -9.578 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.222 -9.050 -6.304 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.613 -10.995 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.020 -11.020 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 7.661 -12.793 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 7.357 -11.566 -7.090 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.084 -12.812 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 8.981 -13.351 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 10.628 -11.830 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 9.080 -11.142 -8.816 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 10.150 -10.619 -7.605 1.00 0.00 H new ATOM 1051 N SER 1 76 6.129 -6.672 -5.451 1.00 0.00 N ATOM 1052 CA SER 1 76 5.776 -5.385 -6.041 1.00 0.00 C ATOM 1053 C SER 1 76 4.456 -4.857 -5.486 1.00 0.00 C ATOM 1054 O SER 1 76 3.723 -5.571 -4.801 1.00 0.00 O ATOM 1055 CB SER 1 76 5.685 -5.510 -7.563 1.00 0.00 C ATOM 1056 OG SER 1 76 4.983 -6.682 -7.938 1.00 0.00 O ATOM 0 H SER 1 76 5.389 -7.105 -4.899 1.00 0.00 H new ATOM 0 HA SER 1 76 6.561 -4.675 -5.780 1.00 0.00 H new ATOM 0 HB2 SER 1 76 5.182 -4.634 -7.973 1.00 0.00 H new ATOM 0 HB3 SER 1 76 6.688 -5.531 -7.990 1.00 0.00 H new ATOM 0 HG SER 1 76 4.937 -6.737 -8.915 1.00 0.00 H new ATOM 1062 N SER 1 77 4.164 -3.598 -5.796 1.00 0.00 N ATOM 1063 CA SER 1 77 2.936 -2.949 -5.345 1.00 0.00 C ATOM 1064 C SER 1 77 1.807 -3.142 -6.353 1.00 0.00 C ATOM 1065 O SER 1 77 0.761 -2.501 -6.254 1.00 0.00 O ATOM 1066 CB SER 1 77 3.181 -1.456 -5.118 1.00 0.00 C ATOM 1067 OG SER 1 77 3.885 -0.884 -6.206 1.00 0.00 O ATOM 0 H SER 1 77 4.767 -3.001 -6.363 1.00 0.00 H new ATOM 0 HA SER 1 77 2.637 -3.413 -4.405 1.00 0.00 H new ATOM 0 HB2 SER 1 77 2.228 -0.944 -4.988 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.748 -1.313 -4.198 1.00 0.00 H new ATOM 0 HG SER 1 77 4.028 0.071 -6.038 1.00 0.00 H new ATOM 1073 N ASP 1 78 2.023 -4.026 -7.323 1.00 0.00 N ATOM 1074 CA ASP 1 78 1.017 -4.292 -8.343 1.00 0.00 C ATOM 1075 C ASP 1 78 0.572 -5.751 -8.310 1.00 0.00 C ATOM 1076 O ASP 1 78 1.353 -6.645 -7.982 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.562 -3.944 -9.730 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.856 -4.671 -10.041 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.791 -5.842 -10.469 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.934 -4.068 -9.855 1.00 0.00 O ATOM 0 H ASP 1 78 2.882 -4.567 -7.423 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.151 -3.665 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 0.816 -4.196 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.728 -2.869 -9.793 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.690 -5.978 -8.653 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.260 -7.321 -8.667 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.688 -7.711 -10.085 1.00 0.00 C ATOM 1088 O CYS 1 79 -2.692 -7.212 -10.593 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.461 -7.381 -7.722 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.322 -8.658 -6.432 1.00 0.00 S ATOM 0 H CYS 1 79 -1.343 -5.244 -8.927 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.501 -8.027 -8.331 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.584 -6.409 -7.245 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.362 -7.566 -8.307 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.930 -8.604 -10.749 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.240 -9.048 -12.116 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.451 -9.979 -12.179 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.604 -10.873 -11.347 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.026 -9.797 -12.534 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.605 -10.296 -11.256 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.293 -9.245 -10.226 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.499 -8.210 -12.763 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.205 -10.618 -13.212 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.722 -9.140 -13.055 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 0.170 -11.256 -10.979 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.681 -10.447 -11.347 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.127 -9.684 -9.242 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 1.109 -8.529 -10.123 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.307 -9.763 -13.179 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.508 -10.588 -13.360 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.149 -12.041 -13.623 1.00 0.00 C ATOM 1112 O TRP 1 81 -4.993 -12.930 -13.510 1.00 0.00 O ATOM 1113 CB TRP 1 81 -5.371 -10.097 -14.531 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.096 -8.697 -14.980 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -4.170 -8.289 -15.895 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -5.774 -7.526 -14.542 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -4.234 -6.926 -16.049 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -5.214 -6.435 -15.227 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -6.802 -7.300 -13.634 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -5.654 -5.132 -15.032 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -7.242 -6.005 -13.435 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -6.669 -4.933 -14.134 1.00 0.00 C ATOM 0 H TRP 1 81 -3.194 -9.026 -13.876 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.071 -10.503 -12.431 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -5.224 -10.769 -15.377 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.420 -10.170 -14.244 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -3.488 -8.941 -16.420 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -3.648 -6.371 -16.673 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -7.249 -8.122 -13.094 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -5.212 -4.306 -15.569 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -8.039 -5.816 -12.731 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -7.035 -3.932 -13.961 1.00 0.00 H new ATOM 1133 N ASN 1 82 -2.908 -12.271 -14.015 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.445 -13.613 -14.344 1.00 0.00 C ATOM 1135 C ASN 1 82 -3.023 -14.035 -15.692 1.00 0.00 C ATOM 1136 O ASN 1 82 -3.160 -15.224 -15.982 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.859 -14.610 -13.257 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.726 -15.536 -12.856 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.552 -15.849 -11.679 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -0.948 -15.980 -13.837 1.00 0.00 N ATOM 0 H ASN 1 82 -2.199 -11.545 -14.114 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.357 -13.606 -14.403 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.205 -14.063 -12.380 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.700 -15.204 -13.615 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.170 -16.606 -13.628 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.128 -15.695 -14.800 1.00 0.00 H new ATOM 1147 N HIS 1 83 -3.373 -13.039 -16.507 1.00 0.00 N ATOM 1148 CA HIS 1 83 -3.952 -13.277 -17.822 1.00 0.00 C ATOM 1149 C HIS 1 83 -2.891 -13.185 -18.913 1.00 0.00 C ATOM 1150 O HIS 1 83 -2.566 -12.052 -19.328 1.00 0.00 O ATOM 1151 CB HIS 1 83 -5.068 -12.262 -18.084 1.00 0.00 C ATOM 1152 CG HIS 1 83 -6.186 -12.353 -17.095 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -6.641 -13.404 -16.375 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -6.969 -11.277 -16.735 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -7.677 -12.950 -15.599 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -7.855 -11.663 -15.833 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -2.392 -14.246 -19.343 1.00 0.00 O ATOM 0 H HIS 1 83 -3.263 -12.052 -16.273 1.00 0.00 H new ATOM 0 HA HIS 1 83 -4.366 -14.285 -17.840 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -4.649 -11.256 -18.059 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -5.465 -12.417 -19.087 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -6.280 -14.358 -16.404 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -6.874 -10.276 -17.128 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.253 -13.548 -14.909 1.00 0.00 H new TER 1166 HIS 1 83