USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 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 : amide:sc= -2.49! K(o=-12!,f=-8.3) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -9.87! C(o=-12!,f=-8.3!) USER MOD Set 2.1: 1 37 THR OG1 : rot -130:sc= 1.22 USER MOD Set 2.2: 1 40 SER OG : rot -39:sc= -0.045 USER MOD Single : 1 1 SER N :NH3+ -108:sc= 0.561 (180deg=0.0145) USER MOD Single : 1 1 SER OG : rot 180:sc= 0.178 USER MOD Single : 1 7 ASN : amide:sc= -3.97 K(o=-4,f=-6.6!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.0061) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.267 K(o=-0.27,f=1.2) USER MOD Single : 1 25 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.1!) USER MOD Single : 1 30 ASN : amide:sc= -3.14! K(o=-3.1!,f=-0.54) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -0.988 K(o=-0.99,f=-0.36) USER MOD Single : 1 43 ASN : amide:sc= -2.28 K(o=-2.3,f=-1.7) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.913 X(o=-0.91,f=-0.92) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0375) USER MOD Single : 1 58 THR OG1 : rot 74:sc= 0.705 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+ -160:sc= 1.19 (180deg=0.26) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 140:sc= -1.19 USER MOD Single : 1 82 ASN : amide:sc= -0.921 K(o=-0.92,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 12.950 -0.708 -14.865 1.00 0.00 N ATOM 2 CA SER 1 1 13.888 0.391 -14.509 1.00 0.00 C ATOM 3 C SER 1 1 14.337 0.282 -13.054 1.00 0.00 C ATOM 4 O SER 1 1 13.725 -0.431 -12.259 1.00 0.00 O ATOM 5 CB SER 1 1 13.186 1.730 -14.748 1.00 0.00 C ATOM 6 OG SER 1 1 12.075 1.580 -15.616 1.00 0.00 O ATOM 0 H1 SER 1 1 13.430 -1.385 -15.492 1.00 0.00 H new ATOM 0 H2 SER 1 1 12.642 -1.196 -14.000 1.00 0.00 H new ATOM 0 H3 SER 1 1 12.121 -0.313 -15.353 1.00 0.00 H new ATOM 0 HA SER 1 1 14.778 0.318 -15.134 1.00 0.00 H new ATOM 0 HB2 SER 1 1 12.854 2.144 -13.796 1.00 0.00 H new ATOM 0 HB3 SER 1 1 13.892 2.442 -15.176 1.00 0.00 H new ATOM 0 HG SER 1 1 11.645 2.450 -15.750 1.00 0.00 H new ATOM 14 N PRO 1 2 15.420 0.989 -12.686 1.00 0.00 N ATOM 15 CA PRO 1 2 15.951 0.968 -11.318 1.00 0.00 C ATOM 16 C PRO 1 2 14.990 1.595 -10.310 1.00 0.00 C ATOM 17 O PRO 1 2 14.155 2.426 -10.668 1.00 0.00 O ATOM 18 CB PRO 1 2 17.236 1.794 -11.417 1.00 0.00 C ATOM 19 CG PRO 1 2 17.042 2.664 -12.611 1.00 0.00 C ATOM 20 CD PRO 1 2 16.210 1.863 -13.572 1.00 0.00 C ATOM 0 HA PRO 1 2 16.111 -0.050 -10.962 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 17.394 2.388 -10.517 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 18.110 1.153 -11.533 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 16.540 3.593 -12.340 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 17.999 2.936 -13.056 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 15.571 2.502 -14.181 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 16.830 1.286 -14.258 1.00 0.00 H new ATOM 28 N PRO 1 3 15.099 1.202 -9.029 1.00 0.00 N ATOM 29 CA PRO 1 3 14.239 1.726 -7.962 1.00 0.00 C ATOM 30 C PRO 1 3 14.571 3.172 -7.608 1.00 0.00 C ATOM 31 O PRO 1 3 15.083 3.457 -6.524 1.00 0.00 O ATOM 32 CB PRO 1 3 14.544 0.805 -6.782 1.00 0.00 C ATOM 33 CG PRO 1 3 15.929 0.319 -7.029 1.00 0.00 C ATOM 34 CD PRO 1 3 16.071 0.214 -8.521 1.00 0.00 C ATOM 0 HA PRO 1 3 13.188 1.739 -8.252 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 14.475 1.340 -5.835 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 13.837 -0.023 -6.733 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.664 1.009 -6.615 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 16.094 -0.647 -6.552 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.086 0.446 -8.845 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 15.845 -0.791 -8.876 1.00 0.00 H new ATOM 42 N VAL 1 4 14.285 4.080 -8.532 1.00 0.00 N ATOM 43 CA VAL 1 4 14.560 5.497 -8.329 1.00 0.00 C ATOM 44 C VAL 1 4 13.291 6.334 -8.404 1.00 0.00 C ATOM 45 O VAL 1 4 12.343 5.986 -9.108 1.00 0.00 O ATOM 46 CB VAL 1 4 15.568 6.025 -9.366 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.004 7.440 -9.017 1.00 0.00 C ATOM 48 CG2 VAL 1 4 16.771 5.098 -9.462 1.00 0.00 C ATOM 0 H VAL 1 4 13.861 3.859 -9.433 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.986 5.589 -7.330 1.00 0.00 H new ATOM 0 HB VAL 1 4 15.078 6.050 -10.340 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.716 7.795 -9.762 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 15.134 8.096 -9.005 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.475 7.444 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 17.472 5.487 -10.200 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 17.262 5.038 -8.491 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 16.441 4.104 -9.764 1.00 0.00 H new ATOM 58 N CYS 1 5 13.292 7.455 -7.690 1.00 0.00 N ATOM 59 CA CYS 1 5 12.152 8.360 -7.694 1.00 0.00 C ATOM 60 C CYS 1 5 12.213 9.193 -8.962 1.00 0.00 C ATOM 61 O CYS 1 5 12.827 10.259 -9.002 1.00 0.00 O ATOM 62 CB CYS 1 5 12.179 9.266 -6.459 1.00 0.00 C ATOM 63 SG CYS 1 5 10.537 9.804 -5.880 1.00 0.00 S ATOM 0 H CYS 1 5 14.069 7.757 -7.102 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.224 7.788 -7.665 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.681 8.739 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 12.778 10.148 -6.684 1.00 0.00 H new ATOM 68 N GLY 1 6 11.604 8.657 -10.008 1.00 0.00 N ATOM 69 CA GLY 1 6 11.617 9.301 -11.300 1.00 0.00 C ATOM 70 C GLY 1 6 11.950 8.301 -12.390 1.00 0.00 C ATOM 71 O GLY 1 6 12.521 8.651 -13.423 1.00 0.00 O ATOM 0 H GLY 1 6 11.094 7.774 -9.981 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.645 9.752 -11.497 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.350 10.108 -11.303 1.00 0.00 H new ATOM 75 N ASN 1 7 11.583 7.046 -12.141 1.00 0.00 N ATOM 76 CA ASN 1 7 11.822 5.954 -13.070 1.00 0.00 C ATOM 77 C ASN 1 7 10.522 5.199 -13.309 1.00 0.00 C ATOM 78 O ASN 1 7 10.511 4.126 -13.914 1.00 0.00 O ATOM 79 CB ASN 1 7 12.877 5.000 -12.499 1.00 0.00 C ATOM 80 CG ASN 1 7 14.284 5.369 -12.931 1.00 0.00 C ATOM 81 OD1 ASN 1 7 14.970 4.585 -13.586 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.720 6.568 -12.566 1.00 0.00 N ATOM 0 H ASN 1 7 11.109 6.761 -11.284 1.00 0.00 H new ATOM 0 HA ASN 1 7 12.187 6.359 -14.014 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.820 5.009 -11.411 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.656 3.983 -12.822 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 15.658 6.871 -12.828 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.117 7.186 -12.023 1.00 0.00 H new ATOM 89 N LYS 1 8 9.430 5.766 -12.800 1.00 0.00 N ATOM 90 CA LYS 1 8 8.111 5.168 -12.912 1.00 0.00 C ATOM 91 C LYS 1 8 7.931 4.082 -11.855 1.00 0.00 C ATOM 92 O LYS 1 8 6.920 3.381 -11.828 1.00 0.00 O ATOM 93 CB LYS 1 8 7.870 4.602 -14.317 1.00 0.00 C ATOM 94 CG LYS 1 8 6.580 5.093 -14.955 1.00 0.00 C ATOM 95 CD LYS 1 8 6.600 4.910 -16.463 1.00 0.00 C ATOM 96 CE LYS 1 8 5.239 4.487 -16.991 1.00 0.00 C ATOM 97 NZ LYS 1 8 4.988 5.009 -18.363 1.00 0.00 N ATOM 0 H LYS 1 8 9.440 6.654 -12.299 1.00 0.00 H new ATOM 0 HA LYS 1 8 7.371 5.950 -12.741 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 8.709 4.872 -14.958 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.848 3.514 -14.263 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 5.734 4.550 -14.533 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 6.433 6.147 -14.717 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 6.903 5.842 -16.940 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 7.344 4.160 -16.730 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 5.175 3.399 -16.999 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 4.461 4.847 -16.318 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 4.050 4.698 -18.686 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 5.023 6.048 -18.351 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 5.715 4.645 -19.011 1.00 0.00 H new ATOM 111 N ILE 1 9 8.919 3.973 -10.973 1.00 0.00 N ATOM 112 CA ILE 1 9 8.894 3.010 -9.890 1.00 0.00 C ATOM 113 C ILE 1 9 8.742 3.746 -8.571 1.00 0.00 C ATOM 114 O ILE 1 9 9.173 4.892 -8.440 1.00 0.00 O ATOM 115 CB ILE 1 9 10.186 2.164 -9.846 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.332 1.343 -11.127 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.192 1.252 -8.625 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.730 1.369 -11.705 1.00 0.00 C ATOM 0 H ILE 1 9 9.758 4.553 -10.993 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.052 2.338 -10.058 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.036 2.842 -9.771 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.052 0.310 -10.921 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 9.632 1.720 -11.873 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.111 0.665 -8.614 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.136 1.856 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.334 0.581 -8.667 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 11.760 0.766 -12.612 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.006 2.396 -11.943 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 12.432 0.964 -10.977 1.00 0.00 H new ATOM 130 N LEU 1 10 8.142 3.093 -7.595 1.00 0.00 N ATOM 131 CA LEU 1 10 7.958 3.706 -6.286 1.00 0.00 C ATOM 132 C LEU 1 10 9.283 3.747 -5.538 1.00 0.00 C ATOM 133 O LEU 1 10 9.384 3.268 -4.408 1.00 0.00 O ATOM 134 CB LEU 1 10 6.904 2.956 -5.465 1.00 0.00 C ATOM 135 CG LEU 1 10 6.676 1.498 -5.857 1.00 0.00 C ATOM 136 CD1 LEU 1 10 6.143 0.714 -4.672 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.721 1.413 -7.038 1.00 0.00 C ATOM 0 H LEU 1 10 7.775 2.145 -7.678 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.602 4.725 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.196 2.990 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.957 3.489 -5.550 1.00 0.00 H new ATOM 0 HG LEU 1 10 7.628 1.059 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 5.984 -0.324 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 6.863 0.755 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 5.198 1.147 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 5.567 0.368 -7.307 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 4.766 1.862 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 6.145 1.948 -7.888 1.00 0.00 H new ATOM 149 N GLU 1 11 10.302 4.323 -6.187 1.00 0.00 N ATOM 150 CA GLU 1 11 11.637 4.436 -5.608 1.00 0.00 C ATOM 151 C GLU 1 11 11.937 3.257 -4.692 1.00 0.00 C ATOM 152 O GLU 1 11 11.968 3.393 -3.469 1.00 0.00 O ATOM 153 CB GLU 1 11 11.765 5.747 -4.845 1.00 0.00 C ATOM 154 CG GLU 1 11 13.068 5.882 -4.073 1.00 0.00 C ATOM 155 CD GLU 1 11 13.411 7.323 -3.751 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.774 7.896 -2.841 1.00 0.00 O ATOM 157 OE2 GLU 1 11 14.316 7.879 -4.408 1.00 0.00 O ATOM 0 H GLU 1 11 10.221 4.720 -7.123 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.365 4.425 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.683 6.576 -5.548 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 10.930 5.835 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 12.996 5.314 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.878 5.441 -4.655 1.00 0.00 H new ATOM 164 N GLN 1 12 12.143 2.102 -5.298 1.00 0.00 N ATOM 165 CA GLN 1 12 12.428 0.886 -4.545 1.00 0.00 C ATOM 166 C GLN 1 12 11.230 0.462 -3.696 1.00 0.00 C ATOM 167 O GLN 1 12 10.475 -0.433 -4.077 1.00 0.00 O ATOM 168 CB GLN 1 12 13.669 1.072 -3.663 1.00 0.00 C ATOM 169 CG GLN 1 12 14.695 -0.039 -3.819 1.00 0.00 C ATOM 170 CD GLN 1 12 15.330 -0.436 -2.500 1.00 0.00 C ATOM 171 OE1 GLN 1 12 16.547 -0.361 -2.336 1.00 0.00 O ATOM 172 NE2 GLN 1 12 14.504 -0.863 -1.552 1.00 0.00 N ATOM 0 H GLN 1 12 12.119 1.976 -6.310 1.00 0.00 H new ATOM 0 HA GLN 1 12 12.627 0.092 -5.265 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.138 2.026 -3.906 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.359 1.126 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.216 -0.911 -4.264 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.473 0.285 -4.510 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 13.501 -0.909 -1.732 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 14.872 -1.145 -0.644 1.00 0.00 H new ATOM 181 N GLY 1 13 11.063 1.105 -2.548 1.00 0.00 N ATOM 182 CA GLY 1 13 9.957 0.779 -1.665 1.00 0.00 C ATOM 183 C GLY 1 13 9.384 2.009 -0.996 1.00 0.00 C ATOM 184 O GLY 1 13 8.894 1.947 0.132 1.00 0.00 O ATOM 0 H GLY 1 13 11.674 1.848 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 9.174 0.278 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 10.296 0.077 -0.903 1.00 0.00 H new ATOM 188 N GLU 1 14 9.454 3.132 -1.698 1.00 0.00 N ATOM 189 CA GLU 1 14 8.951 4.398 -1.185 1.00 0.00 C ATOM 190 C GLU 1 14 7.453 4.315 -0.893 1.00 0.00 C ATOM 191 O GLU 1 14 6.990 4.791 0.143 1.00 0.00 O ATOM 192 CB GLU 1 14 9.273 5.500 -2.183 1.00 0.00 C ATOM 193 CG GLU 1 14 10.593 6.189 -1.885 1.00 0.00 C ATOM 194 CD GLU 1 14 10.641 6.784 -0.491 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.705 7.528 -0.131 1.00 0.00 O ATOM 196 OE2 GLU 1 14 11.615 6.506 0.240 1.00 0.00 O ATOM 0 H GLU 1 14 9.858 3.191 -2.633 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.440 4.629 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.306 5.077 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.472 6.239 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.406 5.472 -1.998 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.760 6.978 -2.618 1.00 0.00 H new ATOM 203 N ASP 1 15 6.718 3.670 -1.800 1.00 0.00 N ATOM 204 CA ASP 1 15 5.269 3.452 -1.661 1.00 0.00 C ATOM 205 C ASP 1 15 4.423 4.537 -2.318 1.00 0.00 C ATOM 206 O ASP 1 15 3.305 4.788 -1.875 1.00 0.00 O ATOM 207 CB ASP 1 15 4.865 3.322 -0.188 1.00 0.00 C ATOM 208 CG ASP 1 15 5.768 2.378 0.583 1.00 0.00 C ATOM 209 OD1 ASP 1 15 5.874 1.200 0.183 1.00 0.00 O ATOM 210 OD2 ASP 1 15 6.367 2.817 1.587 1.00 0.00 O ATOM 0 H ASP 1 15 7.109 3.280 -2.658 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.069 2.518 -2.186 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 4.890 4.306 0.280 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 3.837 2.966 -0.127 1.00 0.00 H new ATOM 215 N CYS 1 16 4.936 5.152 -3.387 1.00 0.00 N ATOM 216 CA CYS 1 16 4.193 6.189 -4.120 1.00 0.00 C ATOM 217 C CYS 1 16 5.133 7.107 -4.888 1.00 0.00 C ATOM 218 O CYS 1 16 5.722 8.020 -4.316 1.00 0.00 O ATOM 219 CB CYS 1 16 3.315 7.025 -3.181 1.00 0.00 C ATOM 220 SG CYS 1 16 1.557 6.525 -3.133 1.00 0.00 S ATOM 0 H CYS 1 16 5.862 4.952 -3.766 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.549 5.670 -4.830 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.724 6.963 -2.172 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.373 8.070 -3.485 1.00 0.00 H new ATOM 225 N ASP 1 17 5.263 6.866 -6.189 1.00 0.00 N ATOM 226 CA ASP 1 17 6.132 7.684 -7.028 1.00 0.00 C ATOM 227 C ASP 1 17 5.576 7.828 -8.441 1.00 0.00 C ATOM 228 O ASP 1 17 4.743 7.037 -8.883 1.00 0.00 O ATOM 229 CB ASP 1 17 7.534 7.077 -7.095 1.00 0.00 C ATOM 230 CG ASP 1 17 8.498 7.932 -7.894 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.435 9.172 -7.768 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.311 7.361 -8.650 1.00 0.00 O ATOM 0 H ASP 1 17 4.781 6.115 -6.683 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.182 8.674 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.920 6.948 -6.084 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.476 6.085 -7.543 1.00 0.00 H new ATOM 237 N CYS 1 18 6.070 8.839 -9.146 1.00 0.00 N ATOM 238 CA CYS 1 18 5.665 9.104 -10.520 1.00 0.00 C ATOM 239 C CYS 1 18 6.900 9.285 -11.395 1.00 0.00 C ATOM 240 O CYS 1 18 7.907 9.832 -10.946 1.00 0.00 O ATOM 241 CB CYS 1 18 4.801 10.364 -10.602 1.00 0.00 C ATOM 242 SG CYS 1 18 3.162 10.213 -9.820 1.00 0.00 S ATOM 0 H CYS 1 18 6.760 9.496 -8.782 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.080 8.254 -10.873 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.338 11.188 -10.133 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.666 10.628 -11.651 1.00 0.00 H new ATOM 247 N GLY 1 19 6.822 8.831 -12.642 1.00 0.00 N ATOM 248 CA GLY 1 19 7.950 8.967 -13.549 1.00 0.00 C ATOM 249 C GLY 1 19 8.552 10.361 -13.512 1.00 0.00 C ATOM 250 O GLY 1 19 9.769 10.518 -13.416 1.00 0.00 O ATOM 0 H GLY 1 19 6.002 8.373 -13.040 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.715 8.236 -13.287 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.627 8.740 -14.565 1.00 0.00 H new ATOM 254 N SER 1 20 7.691 11.371 -13.578 1.00 0.00 N ATOM 255 CA SER 1 20 8.133 12.760 -13.542 1.00 0.00 C ATOM 256 C SER 1 20 7.200 13.603 -12.669 1.00 0.00 C ATOM 257 O SER 1 20 5.996 13.658 -12.916 1.00 0.00 O ATOM 258 CB SER 1 20 8.184 13.338 -14.958 1.00 0.00 C ATOM 259 OG SER 1 20 9.455 13.130 -15.548 1.00 0.00 O ATOM 0 H SER 1 20 6.681 11.253 -13.657 1.00 0.00 H new ATOM 0 HA SER 1 20 9.133 12.788 -13.110 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.414 12.872 -15.572 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.964 14.405 -14.927 1.00 0.00 H new ATOM 0 HG SER 1 20 9.461 13.507 -16.453 1.00 0.00 H new ATOM 265 N PRO 1 21 7.739 14.274 -11.631 1.00 0.00 N ATOM 266 CA PRO 1 21 6.937 15.111 -10.732 1.00 0.00 C ATOM 267 C PRO 1 21 5.960 16.013 -11.483 1.00 0.00 C ATOM 268 O PRO 1 21 4.907 16.375 -10.958 1.00 0.00 O ATOM 269 CB PRO 1 21 7.988 15.951 -10.011 1.00 0.00 C ATOM 270 CG PRO 1 21 9.205 15.092 -9.989 1.00 0.00 C ATOM 271 CD PRO 1 21 9.165 14.268 -11.249 1.00 0.00 C ATOM 0 HA PRO 1 21 6.312 14.513 -10.069 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 8.174 16.889 -10.535 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.666 16.208 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 10.109 15.700 -9.951 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.213 14.452 -9.106 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.790 14.701 -12.030 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.528 13.255 -11.076 1.00 0.00 H new ATOM 279 N ALA 1 22 6.313 16.371 -12.714 1.00 0.00 N ATOM 280 CA ALA 1 22 5.465 17.227 -13.534 1.00 0.00 C ATOM 281 C ALA 1 22 4.394 16.408 -14.243 1.00 0.00 C ATOM 282 O ALA 1 22 3.299 16.900 -14.517 1.00 0.00 O ATOM 283 CB ALA 1 22 6.306 17.989 -14.547 1.00 0.00 C ATOM 0 H ALA 1 22 7.181 16.081 -13.165 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.969 17.944 -12.880 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.659 18.624 -15.152 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 7.035 18.608 -14.023 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.827 17.282 -15.192 1.00 0.00 H new ATOM 289 N ASN 1 23 4.715 15.150 -14.526 1.00 0.00 N ATOM 290 CA ASN 1 23 3.781 14.253 -15.193 1.00 0.00 C ATOM 291 C ASN 1 23 3.246 13.211 -14.214 1.00 0.00 C ATOM 292 O ASN 1 23 2.787 12.142 -14.617 1.00 0.00 O ATOM 293 CB ASN 1 23 4.460 13.560 -16.376 1.00 0.00 C ATOM 294 CG ASN 1 23 3.477 13.184 -17.467 1.00 0.00 C ATOM 295 OD1 ASN 1 23 2.512 12.459 -17.226 1.00 0.00 O ATOM 296 ND2 ASN 1 23 3.718 13.677 -18.676 1.00 0.00 N ATOM 0 H ASN 1 23 5.617 14.729 -14.303 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.944 14.845 -15.564 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.224 14.219 -16.790 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.969 12.663 -16.024 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 3.091 13.459 -19.450 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.530 14.274 -18.831 1.00 0.00 H new ATOM 303 N CYS 1 24 3.313 13.533 -12.926 1.00 0.00 N ATOM 304 CA CYS 1 24 2.843 12.634 -11.884 1.00 0.00 C ATOM 305 C CYS 1 24 1.341 12.421 -11.992 1.00 0.00 C ATOM 306 O CYS 1 24 0.553 13.114 -11.347 1.00 0.00 O ATOM 307 CB CYS 1 24 3.205 13.188 -10.507 1.00 0.00 C ATOM 308 SG CYS 1 24 2.783 12.083 -9.118 1.00 0.00 S ATOM 0 H CYS 1 24 3.691 14.415 -12.580 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.333 11.669 -12.015 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.275 13.393 -10.481 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.695 14.141 -10.366 1.00 0.00 H new ATOM 313 N GLN 1 25 0.956 11.456 -12.815 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.453 11.137 -13.022 1.00 0.00 C ATOM 315 C GLN 1 25 -0.982 10.217 -11.922 1.00 0.00 C ATOM 316 O GLN 1 25 -1.688 9.246 -12.197 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.650 10.481 -14.390 1.00 0.00 C ATOM 318 CG GLN 1 25 0.051 9.139 -14.528 1.00 0.00 C ATOM 319 CD GLN 1 25 0.321 8.769 -15.973 1.00 0.00 C ATOM 320 OE1 GLN 1 25 0.276 9.619 -16.863 1.00 0.00 O ATOM 321 NE2 GLN 1 25 0.602 7.494 -16.215 1.00 0.00 N ATOM 0 H GLN 1 25 1.601 10.877 -13.353 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.016 12.069 -12.984 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.717 10.344 -14.568 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.282 11.155 -15.163 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 0.994 9.168 -13.982 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.561 8.364 -14.067 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.629 6.823 -15.447 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 0.791 7.186 -17.169 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.646 10.534 -10.675 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.094 9.745 -9.536 1.00 0.00 C ATOM 332 C ASP 1 26 -1.479 10.662 -8.380 1.00 0.00 C ATOM 333 O ASP 1 26 -0.627 11.093 -7.605 1.00 0.00 O ATOM 334 CB ASP 1 26 0.002 8.773 -9.095 1.00 0.00 C ATOM 335 CG ASP 1 26 -0.543 7.395 -8.773 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -1.609 7.315 -8.126 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.096 6.397 -9.167 1.00 0.00 O ATOM 0 H ASP 1 26 -0.063 11.334 -10.429 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.969 9.169 -9.836 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.749 8.690 -9.884 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.509 9.175 -8.217 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.768 10.961 -8.278 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.269 11.834 -7.225 1.00 0.00 C ATOM 344 C ARG 1 27 -3.050 11.221 -5.844 1.00 0.00 C ATOM 345 O ARG 1 27 -3.058 11.928 -4.836 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.755 12.118 -7.443 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.335 13.120 -6.460 1.00 0.00 C ATOM 348 CD ARG 1 27 -4.903 14.539 -6.790 1.00 0.00 C ATOM 349 NE ARG 1 27 -5.127 15.455 -5.674 1.00 0.00 N ATOM 350 CZ ARG 1 27 -5.038 16.779 -5.772 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -4.731 17.347 -6.931 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -5.258 17.538 -4.707 1.00 0.00 N ATOM 0 H ARG 1 27 -3.486 10.611 -8.913 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.712 12.770 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -4.900 12.491 -8.457 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.310 11.183 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.423 13.057 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.015 12.867 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -3.846 14.543 -7.055 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -5.452 14.891 -7.663 1.00 0.00 H new ATOM 0 HE ARG 1 27 -5.366 15.056 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -4.562 16.768 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -4.664 18.363 -6.999 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -5.495 17.107 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -5.190 18.553 -4.781 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.855 9.907 -5.801 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.635 9.211 -4.539 1.00 0.00 C ATOM 368 C CYS 1 28 -1.147 8.948 -4.300 1.00 0.00 C ATOM 369 O CYS 1 28 -0.752 8.525 -3.213 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.416 7.895 -4.518 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.208 8.107 -4.254 1.00 0.00 S ATOM 0 H CYS 1 28 -2.845 9.304 -6.624 1.00 0.00 H new ATOM 0 HA CYS 1 28 -2.995 9.852 -3.734 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.256 7.373 -5.462 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.015 7.258 -3.730 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.323 9.207 -5.315 1.00 0.00 N ATOM 377 CA CYS 1 29 1.118 9.002 -5.202 1.00 0.00 C ATOM 378 C CYS 1 29 1.881 10.189 -5.776 1.00 0.00 C ATOM 379 O CYS 1 29 1.683 10.563 -6.930 1.00 0.00 O ATOM 380 CB CYS 1 29 1.538 7.723 -5.926 1.00 0.00 C ATOM 381 SG CYS 1 29 1.060 6.188 -5.073 1.00 0.00 S ATOM 0 H CYS 1 29 -0.629 9.558 -6.222 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.359 8.907 -4.143 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.098 7.723 -6.923 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.620 7.731 -6.055 1.00 0.00 H new ATOM 386 N ASN 1 30 2.753 10.777 -4.965 1.00 0.00 N ATOM 387 CA ASN 1 30 3.544 11.923 -5.400 1.00 0.00 C ATOM 388 C ASN 1 30 5.024 11.567 -5.500 1.00 0.00 C ATOM 389 O ASN 1 30 5.602 11.008 -4.564 1.00 0.00 O ATOM 390 CB ASN 1 30 3.347 13.096 -4.435 1.00 0.00 C ATOM 391 CG ASN 1 30 4.174 14.310 -4.814 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.277 14.663 -5.989 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.768 14.955 -3.817 1.00 0.00 N ATOM 0 H ASN 1 30 2.930 10.480 -4.005 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.200 12.214 -6.392 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.293 13.372 -4.415 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.613 12.780 -3.426 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.337 15.779 -4.010 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.655 14.627 -2.858 1.00 0.00 H new ATOM 400 N ALA 1 31 5.631 11.900 -6.640 1.00 0.00 N ATOM 401 CA ALA 1 31 7.047 11.629 -6.864 1.00 0.00 C ATOM 402 C ALA 1 31 7.911 12.581 -6.052 1.00 0.00 C ATOM 403 O ALA 1 31 8.886 12.173 -5.421 1.00 0.00 O ATOM 404 CB ALA 1 31 7.385 11.756 -8.341 1.00 0.00 C ATOM 0 H ALA 1 31 5.162 12.358 -7.421 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.252 10.609 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.445 11.551 -8.491 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.793 11.041 -8.913 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 7.160 12.767 -8.680 1.00 0.00 H new ATOM 410 N ALA 1 32 7.538 13.857 -6.070 1.00 0.00 N ATOM 411 CA ALA 1 32 8.268 14.884 -5.332 1.00 0.00 C ATOM 412 C ALA 1 32 8.502 14.463 -3.883 1.00 0.00 C ATOM 413 O ALA 1 32 9.429 14.940 -3.229 1.00 0.00 O ATOM 414 CB ALA 1 32 7.512 16.204 -5.384 1.00 0.00 C ATOM 0 H ALA 1 32 6.732 14.206 -6.589 1.00 0.00 H new ATOM 0 HA ALA 1 32 9.242 15.013 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.066 16.962 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.402 16.520 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.526 16.076 -4.937 1.00 0.00 H new ATOM 420 N THR 1 33 7.656 13.563 -3.391 1.00 0.00 N ATOM 421 CA THR 1 33 7.769 13.070 -2.026 1.00 0.00 C ATOM 422 C THR 1 33 8.069 11.579 -2.025 1.00 0.00 C ATOM 423 O THR 1 33 8.636 11.046 -1.072 1.00 0.00 O ATOM 424 CB THR 1 33 6.467 13.328 -1.262 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.659 13.147 0.130 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.327 12.421 -1.691 1.00 0.00 C ATOM 0 H THR 1 33 6.883 13.160 -3.921 1.00 0.00 H new ATOM 0 HA THR 1 33 8.586 13.599 -1.536 1.00 0.00 H new ATOM 0 HB THR 1 33 6.196 14.358 -1.494 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.817 13.318 0.601 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.436 12.657 -1.110 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.120 12.573 -2.750 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.606 11.381 -1.521 1.00 0.00 H new ATOM 434 N CYS 1 34 7.656 10.907 -3.094 1.00 0.00 N ATOM 435 CA CYS 1 34 7.848 9.477 -3.214 1.00 0.00 C ATOM 436 C CYS 1 34 7.080 8.770 -2.108 1.00 0.00 C ATOM 437 O CYS 1 34 7.574 7.838 -1.479 1.00 0.00 O ATOM 438 CB CYS 1 34 9.334 9.123 -3.169 1.00 0.00 C ATOM 439 SG CYS 1 34 9.928 8.288 -4.676 1.00 0.00 S ATOM 0 H CYS 1 34 7.185 11.337 -3.890 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.464 9.143 -4.178 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.912 10.034 -3.016 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.520 8.480 -2.309 1.00 0.00 H new ATOM 444 N LYS 1 35 5.857 9.240 -1.881 1.00 0.00 N ATOM 445 CA LYS 1 35 4.984 8.681 -0.855 1.00 0.00 C ATOM 446 C LYS 1 35 3.537 9.095 -1.110 1.00 0.00 C ATOM 447 O LYS 1 35 3.268 9.972 -1.931 1.00 0.00 O ATOM 448 CB LYS 1 35 5.405 9.159 0.541 1.00 0.00 C ATOM 449 CG LYS 1 35 6.885 8.984 0.842 1.00 0.00 C ATOM 450 CD LYS 1 35 7.206 9.348 2.283 1.00 0.00 C ATOM 451 CE LYS 1 35 6.719 8.280 3.249 1.00 0.00 C ATOM 452 NZ LYS 1 35 6.197 8.870 4.512 1.00 0.00 N ATOM 0 H LYS 1 35 5.445 10.015 -2.400 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.068 7.595 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.147 10.213 0.644 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.827 8.615 1.288 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.176 7.951 0.653 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.471 9.609 0.168 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 8.282 9.478 2.395 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.742 10.303 2.530 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 5.936 7.690 2.773 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 7.537 7.597 3.478 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 5.875 8.109 5.144 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 6.951 9.412 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 5.399 9.502 4.296 1.00 0.00 H new ATOM 466 N LEU 1 36 2.611 8.461 -0.403 1.00 0.00 N ATOM 467 CA LEU 1 36 1.191 8.762 -0.549 1.00 0.00 C ATOM 468 C LEU 1 36 0.911 10.236 -0.278 1.00 0.00 C ATOM 469 O LEU 1 36 1.371 10.793 0.720 1.00 0.00 O ATOM 470 CB LEU 1 36 0.364 7.892 0.400 1.00 0.00 C ATOM 471 CG LEU 1 36 0.387 6.393 0.093 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.464 5.584 1.378 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.839 5.996 -0.716 1.00 0.00 C ATOM 0 H LEU 1 36 2.818 7.732 0.280 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.905 8.542 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.727 8.044 1.417 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.670 8.236 0.375 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.276 6.178 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.479 4.521 1.138 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.373 5.847 1.920 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.405 5.803 1.999 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.806 4.927 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.740 6.227 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.850 6.549 -1.655 1.00 0.00 H new ATOM 485 N THR 1 37 0.153 10.862 -1.172 1.00 0.00 N ATOM 486 CA THR 1 37 -0.193 12.272 -1.031 1.00 0.00 C ATOM 487 C THR 1 37 -1.275 12.459 0.030 1.00 0.00 C ATOM 488 O THR 1 37 -2.047 11.541 0.308 1.00 0.00 O ATOM 489 CB THR 1 37 -0.672 12.836 -2.370 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.000 12.424 -2.640 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.187 12.411 -3.542 1.00 0.00 C ATOM 0 H THR 1 37 -0.234 10.415 -2.003 1.00 0.00 H new ATOM 0 HA THR 1 37 0.699 12.813 -0.716 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.606 13.919 -2.267 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.049 12.052 -3.545 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.209 12.846 -4.460 1.00 0.00 H new ATOM 0 HG22 THR 1 37 1.209 12.756 -3.388 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.180 11.324 -3.623 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.351 13.656 0.637 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.348 13.956 1.668 1.00 0.00 C ATOM 501 C PRO 1 38 -3.768 13.670 1.192 1.00 0.00 C ATOM 502 O PRO 1 38 -4.258 14.300 0.254 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.163 15.457 1.941 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.324 15.967 0.815 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.480 14.809 0.371 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.210 13.338 2.555 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.124 15.970 1.978 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.675 15.624 2.901 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.947 16.332 -0.002 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.702 16.802 1.139 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.215 14.882 -0.684 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.453 14.750 0.931 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.422 12.713 1.842 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.779 12.355 1.471 1.00 0.00 C ATOM 515 C GLY 1 39 -5.909 10.889 1.108 1.00 0.00 C ATOM 516 O GLY 1 39 -6.973 10.292 1.277 1.00 0.00 O ATOM 0 H GLY 1 39 -4.036 12.178 2.620 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.451 12.583 2.298 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.095 12.966 0.625 1.00 0.00 H new ATOM 520 N SER 1 40 -4.823 10.307 0.608 1.00 0.00 N ATOM 521 CA SER 1 40 -4.816 8.902 0.221 1.00 0.00 C ATOM 522 C SER 1 40 -3.863 8.102 1.103 1.00 0.00 C ATOM 523 O SER 1 40 -2.783 8.575 1.454 1.00 0.00 O ATOM 524 CB SER 1 40 -4.413 8.757 -1.248 1.00 0.00 C ATOM 525 OG SER 1 40 -3.044 9.074 -1.434 1.00 0.00 O ATOM 0 H SER 1 40 -3.936 10.788 0.462 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.824 8.509 0.354 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -4.602 7.737 -1.581 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -5.029 9.413 -1.864 1.00 0.00 H new ATOM 0 HG SER 1 40 -2.806 9.840 -0.871 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.272 6.889 1.460 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.454 6.025 2.305 1.00 0.00 C ATOM 533 C GLN 1 41 -2.954 4.810 1.529 1.00 0.00 C ATOM 534 O GLN 1 41 -1.894 4.264 1.831 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.253 5.570 3.527 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.154 6.522 4.707 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.760 6.572 5.302 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.442 5.829 6.231 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.920 7.450 4.767 1.00 0.00 N ATOM 0 H GLN 1 41 -5.164 6.482 1.178 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.589 6.600 2.635 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.300 5.461 3.246 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.901 4.585 3.835 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -4.444 7.523 4.387 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.863 6.216 5.477 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -2.227 8.046 3.998 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.968 7.529 5.125 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.725 4.388 0.531 1.00 0.00 N ATOM 549 CA CYS 1 42 -3.358 3.234 -0.281 1.00 0.00 C ATOM 550 C CYS 1 42 -3.161 3.625 -1.742 1.00 0.00 C ATOM 551 O CYS 1 42 -3.362 4.775 -2.131 1.00 0.00 O ATOM 552 CB CYS 1 42 -4.424 2.138 -0.163 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.605 2.041 -1.556 1.00 0.00 S ATOM 0 H CYS 1 42 -4.606 4.828 0.266 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.410 2.848 0.095 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.922 1.175 -0.066 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.986 2.298 0.757 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.779 2.640 -2.539 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.558 2.820 -3.968 1.00 0.00 C ATOM 560 C ASN 1 43 -2.076 1.508 -4.581 1.00 0.00 C ATOM 561 O ASN 1 43 -2.368 1.201 -5.737 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.547 3.940 -4.223 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.227 4.107 -5.697 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.000 4.702 -6.448 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.083 3.580 -6.117 1.00 0.00 N ATOM 0 H ASN 1 43 -2.612 1.688 -2.213 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.499 3.107 -4.438 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.941 4.878 -3.831 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.628 3.728 -3.676 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 0.186 3.660 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.527 3.095 -5.459 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.350 0.733 -3.781 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.834 -0.558 -4.208 1.00 0.00 C ATOM 574 C TYR 1 44 -0.585 -1.443 -2.985 1.00 0.00 C ATOM 575 O TYR 1 44 0.203 -1.093 -2.107 1.00 0.00 O ATOM 576 CB TYR 1 44 0.450 -0.372 -5.034 1.00 0.00 C ATOM 577 CG TYR 1 44 1.698 -0.939 -4.391 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.896 -2.311 -4.310 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.671 -0.102 -3.863 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.028 -2.834 -3.720 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.808 -0.617 -3.271 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.982 -1.984 -3.202 1.00 0.00 C ATOM 583 OH TYR 1 44 5.113 -2.501 -2.613 1.00 0.00 O ATOM 0 H TYR 1 44 -1.105 0.983 -2.823 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.570 -1.050 -4.844 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.312 -0.843 -6.007 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.601 0.693 -5.213 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.151 -2.980 -4.716 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.537 0.968 -3.916 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.166 -3.904 -3.664 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.557 0.047 -2.864 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.683 -1.768 -2.301 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.264 -2.584 -2.930 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.100 -3.488 -1.805 1.00 0.00 C ATOM 595 C GLY 1 45 -2.397 -4.166 -1.399 1.00 0.00 C ATOM 596 O GLY 1 45 -3.481 -3.752 -1.810 1.00 0.00 O ATOM 0 H GLY 1 45 -1.923 -2.899 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.363 -4.249 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.704 -2.934 -0.954 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.276 -5.215 -0.592 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.433 -5.975 -0.123 1.00 0.00 C ATOM 602 C GLU 1 46 -4.414 -5.102 0.654 1.00 0.00 C ATOM 603 O GLU 1 46 -5.625 -5.174 0.446 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.963 -7.119 0.775 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.787 -8.441 0.048 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.897 -8.321 -1.174 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -2.428 -8.037 -2.269 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.671 -8.511 -1.037 1.00 0.00 O ATOM 0 H GLU 1 46 -1.381 -5.562 -0.246 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.949 -6.364 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.015 -6.840 1.236 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.683 -7.253 1.583 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.361 -9.174 0.733 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.764 -8.818 -0.254 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.883 -4.299 1.565 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.705 -3.430 2.399 1.00 0.00 C ATOM 617 C CYS 1 47 -5.305 -2.273 1.604 1.00 0.00 C ATOM 618 O CYS 1 47 -6.236 -1.614 2.066 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.869 -2.889 3.556 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.989 -3.873 5.080 1.00 0.00 S ATOM 0 H CYS 1 47 -2.882 -4.230 1.747 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.533 -4.025 2.785 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.825 -2.844 3.246 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.182 -1.867 3.770 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.765 -2.012 0.419 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.249 -0.918 -0.406 1.00 0.00 C ATOM 627 C CYS 1 48 -6.659 -1.170 -0.934 1.00 0.00 C ATOM 628 O CYS 1 48 -6.939 -2.202 -1.543 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.296 -0.688 -1.579 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.867 0.578 -2.756 1.00 0.00 S ATOM 0 H CYS 1 48 -3.995 -2.542 0.012 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.287 -0.030 0.225 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.321 -0.395 -1.190 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.157 -1.629 -2.112 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.535 -0.194 -0.704 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.917 -0.263 -1.158 1.00 0.00 C ATOM 637 C ASP 1 49 -9.482 1.143 -1.349 1.00 0.00 C ATOM 638 O ASP 1 49 -9.702 1.871 -0.381 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.772 -1.043 -0.157 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.859 -1.854 -0.834 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.595 -2.411 -1.921 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.974 -1.934 -0.277 1.00 0.00 O ATOM 0 H ASP 1 49 -7.305 0.662 -0.200 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.940 -0.784 -2.115 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.132 -1.709 0.421 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.227 -0.347 0.548 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.706 1.523 -2.605 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.238 2.846 -2.924 1.00 0.00 C ATOM 649 C GLN 1 50 -9.252 3.941 -2.523 1.00 0.00 C ATOM 650 O GLN 1 50 -9.637 4.958 -1.946 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.579 3.065 -2.220 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.570 3.876 -3.039 1.00 0.00 C ATOM 653 CD GLN 1 50 -12.136 5.318 -3.218 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -12.264 6.135 -2.306 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -11.618 5.637 -4.398 1.00 0.00 N ATOM 0 H GLN 1 50 -9.527 0.934 -3.418 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.391 2.898 -4.002 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -12.020 2.096 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.403 3.572 -1.271 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.692 3.413 -4.018 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.545 3.852 -2.552 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -11.531 4.927 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -11.307 6.592 -4.577 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.977 3.721 -2.829 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.928 4.683 -2.497 1.00 0.00 C ATOM 666 C CYS 1 51 -6.868 4.932 -0.989 1.00 0.00 C ATOM 667 O CYS 1 51 -6.327 5.942 -0.539 1.00 0.00 O ATOM 668 CB CYS 1 51 -7.145 6.002 -3.242 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.986 6.268 -4.624 1.00 0.00 S ATOM 0 H CYS 1 51 -7.644 2.884 -3.307 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.975 4.257 -2.813 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -8.165 6.028 -3.626 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -7.049 6.827 -2.536 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.419 3.999 -0.214 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.421 4.109 1.240 1.00 0.00 C ATOM 676 C ARG 1 52 -7.230 2.735 1.876 1.00 0.00 C ATOM 677 O ARG 1 52 -7.855 1.759 1.461 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.730 4.734 1.726 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.606 5.443 3.065 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.348 6.930 2.885 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.012 7.583 4.148 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.059 8.900 4.337 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -8.427 9.707 3.349 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -7.738 9.412 5.517 1.00 0.00 N ATOM 0 H ARG 1 52 -7.870 3.157 -0.572 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.593 4.753 1.538 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.082 5.445 0.979 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.487 3.954 1.806 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -9.520 5.298 3.641 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -7.793 4.998 3.640 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -7.534 7.073 2.175 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -9.232 7.402 2.456 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.725 6.996 4.931 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -8.676 9.319 2.439 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -8.461 10.715 3.500 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.455 8.797 6.280 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -7.774 10.421 5.662 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.359 2.659 2.879 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.090 1.394 3.556 1.00 0.00 C ATOM 700 C PHE 1 53 -7.365 0.784 4.111 1.00 0.00 C ATOM 701 O PHE 1 53 -8.239 1.490 4.614 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.077 1.582 4.688 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.668 1.770 4.208 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.213 1.106 3.082 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.800 2.612 4.883 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.923 1.277 2.635 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.503 2.788 4.440 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.063 2.119 3.313 1.00 0.00 C ATOM 0 H PHE 1 53 -5.830 3.454 3.239 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.671 0.714 2.814 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.367 2.447 5.284 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.115 0.714 5.346 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.879 0.445 2.547 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.140 3.136 5.764 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.583 0.753 1.754 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.834 3.447 4.973 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.050 2.254 2.964 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.458 -0.536 4.026 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.623 -1.245 4.532 1.00 0.00 C ATOM 720 C LYS 1 54 -8.707 -1.097 6.045 1.00 0.00 C ATOM 721 O LYS 1 54 -7.850 -1.595 6.772 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.556 -2.724 4.148 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.324 -3.058 2.879 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.567 -4.051 2.013 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.216 -4.208 0.647 1.00 0.00 C ATOM 726 NZ LYS 1 54 -9.209 -5.624 0.187 1.00 0.00 N ATOM 0 H LYS 1 54 -6.743 -1.135 3.613 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.518 -0.812 4.085 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.512 -3.010 4.017 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.950 -3.322 4.969 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.298 -3.471 3.141 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.506 -2.145 2.312 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.537 -3.717 1.891 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.532 -5.019 2.513 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.243 -3.845 0.690 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.689 -3.588 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.660 -5.688 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.228 -5.963 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.734 -6.212 0.866 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.738 -0.402 6.515 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.929 -0.180 7.947 1.00 0.00 C ATOM 742 C LYS 1 55 -9.549 -1.416 8.756 1.00 0.00 C ATOM 743 O LYS 1 55 -10.042 -2.518 8.497 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.382 0.203 8.234 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.654 0.503 9.699 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.718 1.576 9.859 1.00 0.00 C ATOM 747 CE LYS 1 55 -12.098 2.950 10.056 1.00 0.00 C ATOM 748 NZ LYS 1 55 -11.630 3.538 8.771 1.00 0.00 N ATOM 0 H LYS 1 55 -10.456 0.018 5.925 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.274 0.638 8.248 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.643 1.078 7.638 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -12.034 -0.609 7.911 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.975 -0.408 10.205 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.733 0.828 10.182 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -13.360 1.588 8.978 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.353 1.336 10.712 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -12.829 3.616 10.515 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -11.259 2.874 10.747 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -11.276 4.501 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -10.866 2.952 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -12.421 3.572 8.097 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.659 -1.227 9.733 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.208 -2.326 10.579 1.00 0.00 C ATOM 764 C ALA 1 56 -9.357 -3.271 10.889 1.00 0.00 C ATOM 765 O ALA 1 56 -10.432 -2.842 11.307 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.602 -1.802 11.869 1.00 0.00 C ATOM 0 H ALA 1 56 -8.239 -0.324 9.955 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.441 -2.875 10.034 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.273 -2.640 12.483 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.748 -1.165 11.638 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.349 -1.224 12.414 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.133 -4.550 10.655 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.173 -5.530 10.888 1.00 0.00 C ATOM 774 C GLY 1 57 -10.588 -6.218 9.605 1.00 0.00 C ATOM 775 O GLY 1 57 -11.275 -7.239 9.634 1.00 0.00 O ATOM 0 H GLY 1 57 -8.252 -4.930 10.308 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.820 -6.274 11.602 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.039 -5.043 11.337 1.00 0.00 H new ATOM 779 N THR 1 58 -10.156 -5.665 8.472 1.00 0.00 N ATOM 780 CA THR 1 58 -10.468 -6.248 7.175 1.00 0.00 C ATOM 781 C THR 1 58 -9.575 -7.459 6.915 1.00 0.00 C ATOM 782 O THR 1 58 -8.377 -7.314 6.669 1.00 0.00 O ATOM 783 CB THR 1 58 -10.271 -5.215 6.066 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.100 -4.086 6.276 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.577 -5.762 4.691 1.00 0.00 C ATOM 0 H THR 1 58 -9.591 -4.817 8.430 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.511 -6.566 7.181 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.218 -4.938 6.107 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.740 -3.549 7.012 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.419 -4.982 3.946 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.919 -6.605 4.480 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.615 -6.094 4.654 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.157 -8.652 6.981 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.400 -9.879 6.762 1.00 0.00 C ATOM 795 C VAL 1 59 -8.902 -9.980 5.323 1.00 0.00 C ATOM 796 O VAL 1 59 -9.695 -9.999 4.382 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.241 -11.132 7.085 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.465 -11.204 6.183 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.398 -12.394 6.956 1.00 0.00 C ATOM 0 H VAL 1 59 -11.146 -8.795 7.184 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.546 -9.837 7.438 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.584 -11.058 8.117 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.045 -12.094 6.427 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.081 -10.317 6.334 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.147 -11.252 5.141 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.010 -13.266 7.188 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.020 -12.477 5.937 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.560 -12.344 7.651 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.585 -10.060 5.160 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.988 -10.177 3.831 1.00 0.00 C ATOM 811 C CYS 1 60 -6.419 -11.576 3.605 1.00 0.00 C ATOM 812 O CYS 1 60 -6.257 -12.015 2.467 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.873 -9.149 3.640 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.308 -7.460 4.155 1.00 0.00 S ATOM 0 H CYS 1 60 -6.912 -10.046 5.927 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.779 -9.990 3.105 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.997 -9.473 4.203 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.588 -9.132 2.588 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.102 -12.262 4.698 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.531 -13.605 4.622 1.00 0.00 C ATOM 821 C ARG 1 61 -5.857 -14.423 5.871 1.00 0.00 C ATOM 822 O ARG 1 61 -6.321 -13.889 6.877 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.013 -13.520 4.448 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.559 -13.503 2.998 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.075 -13.813 2.879 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.272 -13.026 3.814 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.830 -11.797 3.564 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.115 -11.198 2.414 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.102 -11.162 4.473 1.00 0.00 N ATOM 0 H ARG 1 61 -6.230 -11.912 5.647 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.973 -14.106 3.761 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.650 -12.619 4.942 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.551 -14.368 4.953 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.132 -14.233 2.427 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.764 -12.525 2.562 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.911 -14.874 3.065 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.744 -13.613 1.860 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.036 -13.446 4.713 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.677 -11.681 1.713 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -0.772 -10.255 2.231 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.117 -11.617 5.360 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.239 -10.219 4.285 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.601 -15.726 5.793 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.849 -16.638 6.903 1.00 0.00 C ATOM 845 C ILE 1 62 -4.955 -17.864 6.775 1.00 0.00 C ATOM 846 O ILE 1 62 -4.968 -18.548 5.752 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.319 -17.113 6.970 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.290 -15.972 6.655 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.620 -17.694 8.344 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.328 -15.595 5.193 1.00 0.00 C ATOM 0 H ILE 1 62 -5.218 -16.177 4.962 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.629 -16.084 7.816 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.456 -17.887 6.215 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.292 -16.261 6.973 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.010 -15.096 7.240 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.658 -18.025 8.380 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -6.962 -18.542 8.533 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.456 -16.931 9.105 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.037 -14.781 5.046 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.336 -15.275 4.874 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.638 -16.457 4.603 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.174 -18.132 7.813 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.264 -19.274 7.815 1.00 0.00 C ATOM 864 C ALA 1 63 -3.949 -20.536 7.300 1.00 0.00 C ATOM 865 O ALA 1 63 -3.641 -21.018 6.209 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.701 -19.502 9.210 1.00 0.00 C ATOM 0 H ALA 1 63 -4.151 -17.574 8.667 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.441 -19.045 7.138 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.025 -20.357 9.194 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.157 -18.614 9.532 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.518 -19.699 9.904 1.00 0.00 H new ATOM 872 N ARG 1 64 -4.881 -21.063 8.085 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.612 -22.269 7.699 1.00 0.00 C ATOM 874 C ARG 1 64 -6.583 -22.707 8.793 1.00 0.00 C ATOM 875 O ARG 1 64 -6.384 -23.736 9.440 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.637 -23.409 7.380 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.037 -24.227 6.163 1.00 0.00 C ATOM 878 CD ARG 1 64 -4.990 -23.395 4.892 1.00 0.00 C ATOM 879 NE ARG 1 64 -3.730 -23.564 4.173 1.00 0.00 N ATOM 880 CZ ARG 1 64 -3.558 -23.243 2.892 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -4.562 -22.736 2.188 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -2.379 -23.429 2.315 1.00 0.00 N ATOM 0 H ARG 1 64 -5.150 -20.677 8.990 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.190 -22.032 6.806 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.643 -22.992 7.217 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -4.567 -24.069 8.245 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.370 -25.083 6.063 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.043 -24.622 6.304 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -5.819 -23.678 4.243 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -5.126 -22.343 5.142 1.00 0.00 H new ATOM 0 HE ARG 1 64 -2.935 -23.951 4.682 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -5.471 -22.590 2.628 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -4.425 -22.492 1.207 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -1.604 -23.818 2.852 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -2.247 -23.183 1.334 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.638 -21.925 8.991 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.621 -22.259 10.003 1.00 0.00 C ATOM 898 C GLY 1 65 -9.258 -21.033 10.624 1.00 0.00 C ATOM 899 O GLY 1 65 -9.984 -20.295 9.957 1.00 0.00 O ATOM 0 H GLY 1 65 -7.829 -21.069 8.471 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.397 -22.881 9.558 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.146 -22.852 10.784 1.00 0.00 H new ATOM 903 N ASP 1 66 -8.984 -20.817 11.904 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.533 -19.673 12.621 1.00 0.00 C ATOM 905 C ASP 1 66 -8.852 -19.502 13.974 1.00 0.00 C ATOM 906 O ASP 1 66 -9.375 -19.924 15.005 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.041 -19.837 12.812 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.839 -19.228 11.676 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.422 -18.170 11.159 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.880 -19.808 11.303 1.00 0.00 O ATOM 0 H ASP 1 66 -8.384 -21.420 12.468 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.346 -18.780 12.025 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.281 -20.897 12.893 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.338 -19.371 13.751 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.680 -18.880 13.958 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.911 -18.647 15.176 1.00 0.00 C ATOM 917 C TRP 1 67 -6.692 -17.155 15.386 1.00 0.00 C ATOM 918 O TRP 1 67 -7.253 -16.548 16.298 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.559 -19.368 15.095 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.270 -19.941 13.741 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.993 -19.251 12.596 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.239 -21.326 13.391 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.796 -20.123 11.557 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -4.939 -21.404 12.020 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.434 -22.508 14.107 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -4.831 -22.617 11.350 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.327 -23.715 13.441 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.027 -23.761 12.074 1.00 0.00 C ATOM 0 H TRP 1 67 -7.238 -18.525 13.110 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.473 -19.042 16.022 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.766 -18.669 15.362 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.539 -20.170 15.833 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.937 -18.175 12.520 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.578 -19.861 10.596 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -5.664 -22.480 15.162 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.601 -22.655 10.296 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.477 -24.637 13.984 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -4.949 -24.719 11.581 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.878 -16.575 14.517 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.575 -15.150 14.570 1.00 0.00 C ATOM 941 C ASN 1 68 -6.100 -14.458 13.317 1.00 0.00 C ATOM 942 O ASN 1 68 -6.593 -13.331 13.375 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.066 -14.920 14.699 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.379 -15.981 15.538 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.079 -15.764 16.711 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.126 -17.138 14.936 1.00 0.00 N ATOM 0 H ASN 1 68 -5.411 -17.073 13.760 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.065 -14.727 15.447 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.619 -14.904 13.705 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.889 -13.941 15.144 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.665 -17.890 15.449 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.392 -17.275 13.961 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.996 -15.150 12.185 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.465 -14.619 10.911 1.00 0.00 C ATOM 955 C ASP 1 69 -5.707 -13.358 10.521 1.00 0.00 C ATOM 956 O ASP 1 69 -5.346 -12.550 11.375 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.956 -14.307 10.985 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.819 -15.492 10.594 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.564 -16.604 11.101 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.749 -15.306 9.782 1.00 0.00 O ATOM 0 H ASP 1 69 -5.589 -16.083 12.126 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.285 -15.381 10.152 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.209 -13.997 11.999 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.181 -13.466 10.329 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.483 -13.189 9.224 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.781 -12.016 8.723 1.00 0.00 C ATOM 967 C ASP 1 70 -5.724 -10.828 8.664 1.00 0.00 C ATOM 968 O ASP 1 70 -6.819 -10.924 8.112 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.201 -12.290 7.338 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.156 -11.274 6.940 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.450 -10.065 7.025 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.046 -11.687 6.544 1.00 0.00 O ATOM 0 H ASP 1 70 -5.777 -13.848 8.502 1.00 0.00 H new ATOM 0 HA ASP 1 70 -3.962 -11.787 9.405 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.759 -13.286 7.323 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.006 -12.287 6.603 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.309 -9.711 9.252 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.153 -8.529 9.274 1.00 0.00 C ATOM 979 C TYR 1 71 -5.388 -7.246 9.017 1.00 0.00 C ATOM 980 O TYR 1 71 -4.259 -7.070 9.472 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.858 -8.433 10.615 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.064 -9.320 10.690 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.226 -8.968 10.035 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.037 -10.506 11.402 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.342 -9.770 10.083 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.145 -11.322 11.459 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.300 -10.951 10.797 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.412 -11.760 10.850 1.00 0.00 O ATOM 0 H TYR 1 71 -4.406 -9.602 9.713 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.874 -8.640 8.464 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.162 -8.703 11.409 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.158 -7.400 10.792 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.260 -8.046 9.474 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.135 -10.796 11.920 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.244 -9.478 9.566 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.111 -12.246 12.017 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.215 -12.552 11.392 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.038 -6.342 8.297 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.458 -5.049 7.980 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.327 -4.205 9.241 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.963 -4.489 10.257 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.323 -4.324 6.953 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.474 -2.955 6.107 1.00 0.00 S ATOM 0 H CYS 1 72 -6.975 -6.485 7.920 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.465 -5.206 7.559 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.664 -5.043 6.208 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.211 -3.935 7.451 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.497 -3.172 9.172 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.283 -2.292 10.314 1.00 0.00 C ATOM 1010 C THR 1 73 -4.657 -0.846 9.983 1.00 0.00 C ATOM 1011 O THR 1 73 -4.398 0.066 10.768 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.823 -2.373 10.765 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.991 -1.611 9.909 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.287 -3.789 10.788 1.00 0.00 C ATOM 0 H THR 1 73 -3.962 -2.923 8.340 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.931 -2.624 11.125 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.808 -1.978 11.781 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.062 -1.674 10.215 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.248 -3.779 11.116 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.879 -4.391 11.477 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.348 -4.217 9.788 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.273 -0.643 8.819 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.680 0.690 8.409 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.552 1.703 8.478 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.797 2.903 8.607 1.00 0.00 O ATOM 0 H GLY 1 74 -5.497 -1.381 8.152 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -6.062 0.649 7.389 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.500 1.025 9.044 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.315 1.225 8.397 1.00 0.00 N ATOM 1030 CA LYS 1 75 -2.154 2.109 8.457 1.00 0.00 C ATOM 1031 C LYS 1 75 -1.147 1.802 7.348 1.00 0.00 C ATOM 1032 O LYS 1 75 -0.330 2.653 6.996 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.472 1.994 9.820 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.396 2.294 10.989 1.00 0.00 C ATOM 1035 CD LYS 1 75 -2.204 1.298 12.120 1.00 0.00 C ATOM 1036 CE LYS 1 75 -3.132 1.594 13.287 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -4.332 0.712 13.280 1.00 0.00 N ATOM 0 H LYS 1 75 -3.090 0.236 8.290 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.512 3.128 8.312 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -1.072 0.986 9.933 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.625 2.679 9.852 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.206 3.303 11.355 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -3.432 2.268 10.651 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -2.390 0.289 11.753 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.169 1.328 12.460 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -2.590 1.463 14.224 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -3.447 2.636 13.245 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -5.083 1.144 13.855 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -4.669 0.592 12.303 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -4.083 -0.216 13.677 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.197 0.589 6.805 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.273 0.196 5.746 1.00 0.00 C ATOM 1053 C SER 1 76 -0.967 -0.658 4.689 1.00 0.00 C ATOM 1054 O SER 1 76 -2.102 -1.098 4.874 1.00 0.00 O ATOM 1055 CB SER 1 76 0.911 -0.571 6.336 1.00 0.00 C ATOM 1056 OG SER 1 76 1.972 0.307 6.670 1.00 0.00 O ATOM 0 H SER 1 76 -1.862 -0.134 7.078 1.00 0.00 H new ATOM 0 HA SER 1 76 0.087 1.105 5.265 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.590 -1.113 7.225 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.261 -1.313 5.619 1.00 0.00 H new ATOM 0 HG SER 1 76 2.716 -0.208 7.047 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.268 -0.891 3.582 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.797 -1.697 2.486 1.00 0.00 C ATOM 1064 C SER 1 77 -0.476 -3.177 2.687 1.00 0.00 C ATOM 1065 O SER 1 77 -0.634 -3.984 1.771 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.223 -1.216 1.150 1.00 0.00 C ATOM 1067 OG SER 1 77 -1.238 -1.103 0.167 1.00 0.00 O ATOM 0 H SER 1 77 0.672 -0.530 3.420 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.881 -1.580 2.474 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.264 -0.250 1.287 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.542 -1.913 0.808 1.00 0.00 H new ATOM 0 HG SER 1 77 -1.086 -0.296 -0.369 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.020 -3.529 3.887 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.326 -4.911 4.195 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.600 -5.489 5.261 1.00 0.00 C ATOM 1076 O ASP 1 78 -0.691 -4.966 6.372 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.781 -5.001 4.663 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.561 -6.070 3.923 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.958 -7.102 3.561 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.775 -5.874 3.704 1.00 0.00 O ATOM 0 H ASP 1 78 0.118 -2.877 4.659 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.204 -5.497 3.284 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.266 -4.036 4.519 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.804 -5.213 5.732 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.277 -6.577 4.914 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.191 -7.244 5.833 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.479 -8.399 6.541 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.265 -9.455 5.950 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.414 -7.764 5.071 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.993 -7.062 5.649 1.00 0.00 S ATOM 0 H CYS 1 79 -1.209 -7.018 3.997 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.522 -6.526 6.583 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.293 -7.539 4.011 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.454 -8.849 5.164 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.086 -8.210 7.815 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.378 -9.242 8.591 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.271 -10.415 9.003 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.382 -10.221 9.496 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.094 -8.479 9.830 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.893 -7.376 9.989 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.280 -6.972 8.594 1.00 0.00 C ATOM 0 HA PRO 1 80 0.421 -9.700 8.007 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.114 -9.123 10.709 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.104 -8.091 9.696 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.763 -7.708 10.556 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.459 -6.537 10.533 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.312 -6.625 8.548 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.654 -6.161 8.222 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.763 -11.636 8.807 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.499 -12.860 9.169 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.066 -12.760 10.580 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.055 -13.411 10.913 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.596 -14.104 9.111 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.697 -13.916 8.382 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.845 -13.356 8.863 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.970 -14.306 7.041 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.816 -13.372 7.891 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 2.300 -13.952 6.762 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 0.211 -14.920 6.051 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.888 -14.196 5.526 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.792 -15.164 4.821 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 2.122 -14.803 4.568 1.00 0.00 C ATOM 0 H TRP 1 81 0.156 -11.807 8.399 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.306 -12.959 8.443 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.378 -14.423 10.130 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.149 -14.914 8.635 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.971 -12.959 9.860 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.765 -13.011 7.993 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -0.814 -15.201 6.240 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.912 -13.917 5.329 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 0.213 -15.640 4.044 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.551 -15.008 3.598 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.402 -11.966 11.407 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.789 -11.785 12.804 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.251 -12.938 13.645 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.831 -13.303 14.667 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.311 -11.692 12.950 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.729 -11.026 14.246 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -3.159 -11.288 15.304 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.731 -10.157 14.168 1.00 0.00 N ATOM 0 H ASN 1 82 -0.580 -11.428 11.132 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.359 -10.848 13.158 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.720 -11.132 12.109 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.739 -12.693 12.905 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -5.056 -9.677 15.007 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -5.175 -9.970 13.269 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.136 -13.509 13.196 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.493 -14.626 13.888 1.00 0.00 C ATOM 1149 C HIS 1 83 1.700 -14.160 14.696 1.00 0.00 C ATOM 1150 O HIS 1 83 2.619 -13.565 14.094 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.918 -15.692 12.875 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.211 -16.184 12.025 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -0.040 -16.638 10.734 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.536 -16.286 12.286 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.212 -16.995 10.237 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -2.134 -16.793 11.159 1.00 0.00 N ATOM 1157 OXT HIS 1 83 1.716 -14.393 15.923 1.00 0.00 O ATOM 0 H HIS 1 83 0.351 -13.213 12.350 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.233 -15.054 14.580 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.696 -15.282 12.231 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.357 -16.535 13.408 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.030 -16.018 13.208 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -1.385 -17.386 9.245 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.130 -16.983 11.052 1.00 0.00 H new TER 1166 HIS 1 83