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= -2.75! K(o=-14!,f=-10) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -11.5! C(o=-14!,f=-10!) USER MOD Set 2.1: 1 37 THR OG1 : rot 110:sc= -2.66 USER MOD Set 2.2: 1 40 SER OG : rot -132:sc= 0.685 USER MOD Set 3.1: 1 1 SER N :NH3+ -120:sc= -2.65! (180deg=-7.87!) USER MOD Set 3.2: 1 7 ASN : amide:sc= -4.85! C(o=-7.5!,f=-9.5!) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -3.05 K(o=-3,f=-5.2!) USER MOD Single : 1 20 SER OG : rot 180:sc= -0.0527 USER MOD Single : 1 23 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.015) USER MOD Single : 1 25 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.027) USER MOD Single : 1 30 ASN : amide:sc= -6.57! K(o=-6.6!,f=-0.92) 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= -0.0126 X(o=-0.013,f=0) USER MOD Single : 1 43 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.9!) 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+ 153:sc= 0.539 (180deg=0.125) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 77:sc= 0.891 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc=-0.00984 USER MOD Single : 1 75 LYS NZ :NH3+ 167:sc=-0.00013 (180deg=-0.0557) USER MOD Single : 1 76 SER OG : rot 49:sc= 1.26 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -3.92 K(o=-3.9,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 14.938 1.698 -13.518 1.00 0.00 N ATOM 2 CA SER 1 1 15.700 0.578 -12.894 1.00 0.00 C ATOM 3 C SER 1 1 16.124 0.917 -11.464 1.00 0.00 C ATOM 4 O SER 1 1 15.744 0.227 -10.518 1.00 0.00 O ATOM 5 CB SER 1 1 16.933 0.277 -13.752 1.00 0.00 C ATOM 6 OG SER 1 1 16.626 -0.651 -14.778 1.00 0.00 O ATOM 0 H1 SER 1 1 13.988 1.367 -13.782 1.00 0.00 H new ATOM 0 H2 SER 1 1 14.856 2.482 -12.840 1.00 0.00 H new ATOM 0 H3 SER 1 1 15.438 2.027 -14.368 1.00 0.00 H new ATOM 0 HA SER 1 1 15.055 -0.299 -12.845 1.00 0.00 H new ATOM 0 HB2 SER 1 1 17.307 1.201 -14.193 1.00 0.00 H new ATOM 0 HB3 SER 1 1 17.729 -0.122 -13.123 1.00 0.00 H new ATOM 0 HG SER 1 1 17.429 -0.825 -15.312 1.00 0.00 H new ATOM 14 N PRO 1 2 16.923 1.984 -11.286 1.00 0.00 N ATOM 15 CA PRO 1 2 17.396 2.401 -9.961 1.00 0.00 C ATOM 16 C PRO 1 2 16.265 2.905 -9.063 1.00 0.00 C ATOM 17 O PRO 1 2 15.183 3.244 -9.542 1.00 0.00 O ATOM 18 CB PRO 1 2 18.379 3.535 -10.269 1.00 0.00 C ATOM 19 CG PRO 1 2 17.962 4.050 -11.602 1.00 0.00 C ATOM 20 CD PRO 1 2 17.432 2.863 -12.355 1.00 0.00 C ATOM 0 HA PRO 1 2 17.841 1.570 -9.414 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 18.331 4.316 -9.511 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 19.407 3.173 -10.289 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 17.198 4.821 -11.501 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 18.804 4.501 -12.127 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 16.643 3.148 -13.052 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 18.213 2.376 -12.939 1.00 0.00 H new ATOM 28 N PRO 1 3 16.507 2.957 -7.740 1.00 0.00 N ATOM 29 CA PRO 1 3 15.521 3.416 -6.758 1.00 0.00 C ATOM 30 C PRO 1 3 15.438 4.942 -6.696 1.00 0.00 C ATOM 31 O PRO 1 3 15.697 5.548 -5.656 1.00 0.00 O ATOM 32 CB PRO 1 3 16.053 2.854 -5.425 1.00 0.00 C ATOM 33 CG PRO 1 3 17.286 2.074 -5.757 1.00 0.00 C ATOM 34 CD PRO 1 3 17.760 2.572 -7.087 1.00 0.00 C ATOM 0 HA PRO 1 3 14.513 3.082 -7.004 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 16.280 3.660 -4.727 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 15.308 2.218 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 18.052 2.216 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 17.070 1.006 -5.797 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 18.442 3.416 -6.986 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 18.289 1.800 -7.645 1.00 0.00 H new ATOM 42 N VAL 1 4 15.102 5.556 -7.823 1.00 0.00 N ATOM 43 CA VAL 1 4 15.015 7.011 -7.908 1.00 0.00 C ATOM 44 C VAL 1 4 13.628 7.502 -8.308 1.00 0.00 C ATOM 45 O VAL 1 4 12.891 6.818 -9.019 1.00 0.00 O ATOM 46 CB VAL 1 4 16.041 7.568 -8.907 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.116 9.082 -8.803 1.00 0.00 C ATOM 48 CG2 VAL 1 4 17.405 6.937 -8.673 1.00 0.00 C ATOM 0 H VAL 1 4 14.885 5.070 -8.693 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.229 7.378 -6.904 1.00 0.00 H new ATOM 0 HB VAL 1 4 15.719 7.314 -9.917 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.847 9.460 -9.517 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 15.138 9.511 -9.023 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.416 9.363 -7.794 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 18.121 7.342 -9.388 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 17.740 7.159 -7.660 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 17.333 5.857 -8.803 1.00 0.00 H new ATOM 58 N CYS 1 5 13.296 8.715 -7.866 1.00 0.00 N ATOM 59 CA CYS 1 5 12.015 9.332 -8.198 1.00 0.00 C ATOM 60 C CYS 1 5 12.102 9.891 -9.607 1.00 0.00 C ATOM 61 O CYS 1 5 12.483 11.042 -9.821 1.00 0.00 O ATOM 62 CB CYS 1 5 11.683 10.459 -7.213 1.00 0.00 C ATOM 63 SG CYS 1 5 9.949 10.483 -6.650 1.00 0.00 S ATOM 0 H CYS 1 5 13.898 9.289 -7.276 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.225 8.583 -8.134 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.333 10.368 -6.343 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 11.913 11.415 -7.683 1.00 0.00 H new ATOM 68 N GLY 1 6 11.777 9.037 -10.559 1.00 0.00 N ATOM 69 CA GLY 1 6 11.844 9.395 -11.958 1.00 0.00 C ATOM 70 C GLY 1 6 12.330 8.224 -12.787 1.00 0.00 C ATOM 71 O GLY 1 6 12.939 8.398 -13.842 1.00 0.00 O ATOM 0 H GLY 1 6 11.462 8.083 -10.384 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.860 9.710 -12.306 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.515 10.244 -12.090 1.00 0.00 H new ATOM 75 N ASN 1 7 12.051 7.023 -12.288 1.00 0.00 N ATOM 76 CA ASN 1 7 12.439 5.787 -12.942 1.00 0.00 C ATOM 77 C ASN 1 7 11.252 4.836 -12.970 1.00 0.00 C ATOM 78 O ASN 1 7 11.406 3.633 -13.183 1.00 0.00 O ATOM 79 CB ASN 1 7 13.607 5.142 -12.188 1.00 0.00 C ATOM 80 CG ASN 1 7 14.934 5.788 -12.531 1.00 0.00 C ATOM 81 OD1 ASN 1 7 15.787 5.178 -13.174 1.00 0.00 O ATOM 82 ND2 ASN 1 7 15.113 7.033 -12.107 1.00 0.00 N ATOM 0 H ASN 1 7 11.546 6.884 -11.413 1.00 0.00 H new ATOM 0 HA ASN 1 7 12.754 6.002 -13.963 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.433 5.221 -11.115 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 13.649 4.079 -12.427 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 15.985 7.521 -12.312 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.379 7.502 -11.576 1.00 0.00 H new ATOM 89 N LYS 1 8 10.067 5.390 -12.719 1.00 0.00 N ATOM 90 CA LYS 1 8 8.842 4.611 -12.679 1.00 0.00 C ATOM 91 C LYS 1 8 8.863 3.657 -11.488 1.00 0.00 C ATOM 92 O LYS 1 8 8.056 2.731 -11.399 1.00 0.00 O ATOM 93 CB LYS 1 8 8.636 3.845 -13.988 1.00 0.00 C ATOM 94 CG LYS 1 8 7.922 4.661 -15.057 1.00 0.00 C ATOM 95 CD LYS 1 8 6.563 4.071 -15.398 1.00 0.00 C ATOM 96 CE LYS 1 8 6.283 4.145 -16.891 1.00 0.00 C ATOM 97 NZ LYS 1 8 6.608 2.866 -17.581 1.00 0.00 N ATOM 0 H LYS 1 8 9.935 6.385 -12.539 1.00 0.00 H new ATOM 0 HA LYS 1 8 8.002 5.296 -12.560 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 9.606 3.526 -14.371 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 8.061 2.942 -13.786 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 7.797 5.687 -14.710 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 8.537 4.702 -15.956 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 6.523 3.032 -15.070 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.785 4.607 -14.854 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 5.233 4.387 -17.052 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 6.868 4.953 -17.330 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 6.403 2.958 -18.597 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 7.616 2.647 -17.449 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 6.032 2.099 -17.180 1.00 0.00 H new ATOM 111 N ILE 1 9 9.785 3.915 -10.561 1.00 0.00 N ATOM 112 CA ILE 1 9 9.920 3.118 -9.353 1.00 0.00 C ATOM 113 C ILE 1 9 9.491 3.947 -8.153 1.00 0.00 C ATOM 114 O ILE 1 9 9.595 5.174 -8.170 1.00 0.00 O ATOM 115 CB ILE 1 9 11.371 2.629 -9.147 1.00 0.00 C ATOM 116 CG1 ILE 1 9 11.770 1.660 -10.261 1.00 0.00 C ATOM 117 CG2 ILE 1 9 11.528 1.966 -7.784 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.954 2.132 -11.075 1.00 0.00 C ATOM 0 H ILE 1 9 10.455 4.681 -10.630 1.00 0.00 H new ATOM 0 HA ILE 1 9 9.283 2.240 -9.456 1.00 0.00 H new ATOM 0 HB ILE 1 9 12.033 3.494 -9.185 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 12.004 0.690 -9.822 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.918 1.512 -10.925 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 12.557 1.629 -7.660 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 11.284 2.683 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 10.856 1.111 -7.716 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 13.182 1.396 -11.847 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.716 3.087 -11.543 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 13.819 2.253 -10.423 1.00 0.00 H new ATOM 130 N LEU 1 10 9.002 3.285 -7.118 1.00 0.00 N ATOM 131 CA LEU 1 10 8.554 3.984 -5.922 1.00 0.00 C ATOM 132 C LEU 1 10 9.736 4.456 -5.095 1.00 0.00 C ATOM 133 O LEU 1 10 9.816 4.170 -3.900 1.00 0.00 O ATOM 134 CB LEU 1 10 7.669 3.076 -5.075 1.00 0.00 C ATOM 135 CG LEU 1 10 6.419 2.561 -5.770 1.00 0.00 C ATOM 136 CD1 LEU 1 10 6.782 1.461 -6.751 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.421 2.066 -4.741 1.00 0.00 C ATOM 0 H LEU 1 10 8.905 2.270 -7.080 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.978 4.854 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 8.261 2.222 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 7.370 3.620 -4.179 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.958 3.375 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 5.879 1.100 -7.243 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 7.471 1.853 -7.499 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 7.258 0.639 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.528 1.699 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 5.867 1.258 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.149 2.885 -4.075 1.00 0.00 H new ATOM 149 N GLU 1 11 10.657 5.176 -5.735 1.00 0.00 N ATOM 150 CA GLU 1 11 11.841 5.683 -5.054 1.00 0.00 C ATOM 151 C GLU 1 11 12.307 4.701 -4.001 1.00 0.00 C ATOM 152 O GLU 1 11 12.097 4.903 -2.806 1.00 0.00 O ATOM 153 CB GLU 1 11 11.541 7.026 -4.417 1.00 0.00 C ATOM 154 CG GLU 1 11 12.229 8.165 -5.130 1.00 0.00 C ATOM 155 CD GLU 1 11 12.739 9.233 -4.181 1.00 0.00 C ATOM 156 OE1 GLU 1 11 11.933 9.750 -3.380 1.00 0.00 O ATOM 157 OE2 GLU 1 11 13.945 9.550 -4.239 1.00 0.00 O ATOM 0 H GLU 1 11 10.603 5.420 -6.724 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.637 5.809 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 10.464 7.195 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.857 7.010 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.064 7.772 -5.710 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 11.534 8.617 -5.838 1.00 0.00 H new ATOM 164 N GLN 1 12 12.916 3.626 -4.458 1.00 0.00 N ATOM 165 CA GLN 1 12 13.384 2.586 -3.548 1.00 0.00 C ATOM 166 C GLN 1 12 12.211 2.001 -2.758 1.00 0.00 C ATOM 167 O GLN 1 12 11.686 0.940 -3.097 1.00 0.00 O ATOM 168 CB GLN 1 12 14.442 3.145 -2.590 1.00 0.00 C ATOM 169 CG GLN 1 12 14.925 2.137 -1.558 1.00 0.00 C ATOM 170 CD GLN 1 12 14.258 2.321 -0.209 1.00 0.00 C ATOM 171 OE1 GLN 1 12 13.308 1.615 0.128 1.00 0.00 O ATOM 172 NE2 GLN 1 12 14.755 3.273 0.572 1.00 0.00 N ATOM 0 H GLN 1 12 13.100 3.445 -5.445 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.838 1.791 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 15.296 3.496 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 14.030 4.012 -2.073 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.730 1.128 -1.921 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 16.005 2.230 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.544 3.835 0.252 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 14.348 3.442 1.492 1.00 0.00 H new ATOM 181 N GLY 1 13 11.800 2.713 -1.714 1.00 0.00 N ATOM 182 CA GLY 1 13 10.686 2.278 -0.891 1.00 0.00 C ATOM 183 C GLY 1 13 9.848 3.455 -0.429 1.00 0.00 C ATOM 184 O GLY 1 13 9.406 3.508 0.718 1.00 0.00 O ATOM 0 H GLY 1 13 12.224 3.593 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.063 1.585 -1.456 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 11.062 1.734 -0.024 1.00 0.00 H new ATOM 188 N GLU 1 14 9.653 4.409 -1.334 1.00 0.00 N ATOM 189 CA GLU 1 14 8.889 5.617 -1.044 1.00 0.00 C ATOM 190 C GLU 1 14 7.390 5.338 -0.969 1.00 0.00 C ATOM 191 O GLU 1 14 6.712 5.809 -0.057 1.00 0.00 O ATOM 192 CB GLU 1 14 9.180 6.664 -2.115 1.00 0.00 C ATOM 193 CG GLU 1 14 10.295 7.620 -1.733 1.00 0.00 C ATOM 194 CD GLU 1 14 9.972 8.432 -0.493 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.134 7.899 0.625 1.00 0.00 O ATOM 196 OE2 GLU 1 14 9.560 9.602 -0.641 1.00 0.00 O ATOM 0 H GLU 1 14 10.019 4.367 -2.285 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.196 5.990 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.446 6.159 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.272 7.235 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.211 7.054 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.488 8.297 -2.565 1.00 0.00 H new ATOM 203 N ASP 1 15 6.888 4.584 -1.945 1.00 0.00 N ATOM 204 CA ASP 1 15 5.466 4.228 -2.037 1.00 0.00 C ATOM 205 C ASP 1 15 4.729 5.228 -2.910 1.00 0.00 C ATOM 206 O ASP 1 15 3.594 5.613 -2.633 1.00 0.00 O ATOM 207 CB ASP 1 15 4.803 4.148 -0.656 1.00 0.00 C ATOM 208 CG ASP 1 15 5.618 3.339 0.335 1.00 0.00 C ATOM 209 OD1 ASP 1 15 6.007 2.202 -0.005 1.00 0.00 O ATOM 210 OD2 ASP 1 15 5.867 3.842 1.451 1.00 0.00 O ATOM 0 H ASP 1 15 7.456 4.199 -2.700 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.407 3.238 -2.489 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 4.660 5.156 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 3.814 3.702 -0.757 1.00 0.00 H new ATOM 215 N CYS 1 16 5.400 5.630 -3.978 1.00 0.00 N ATOM 216 CA CYS 1 16 4.855 6.575 -4.936 1.00 0.00 C ATOM 217 C CYS 1 16 5.772 6.664 -6.146 1.00 0.00 C ATOM 218 O CYS 1 16 6.695 7.478 -6.180 1.00 0.00 O ATOM 219 CB CYS 1 16 4.696 7.946 -4.303 1.00 0.00 C ATOM 220 SG CYS 1 16 4.051 9.209 -5.440 1.00 0.00 S ATOM 0 H CYS 1 16 6.341 5.308 -4.204 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.872 6.226 -5.252 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 4.026 7.865 -3.447 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 5.663 8.274 -3.921 1.00 0.00 H new ATOM 225 N ASP 1 17 5.531 5.804 -7.123 1.00 0.00 N ATOM 226 CA ASP 1 17 6.357 5.766 -8.319 1.00 0.00 C ATOM 227 C ASP 1 17 5.720 6.517 -9.482 1.00 0.00 C ATOM 228 O ASP 1 17 4.560 6.293 -9.825 1.00 0.00 O ATOM 229 CB ASP 1 17 6.624 4.315 -8.711 1.00 0.00 C ATOM 230 CG ASP 1 17 5.386 3.611 -9.235 1.00 0.00 C ATOM 231 OD1 ASP 1 17 4.537 3.212 -8.411 1.00 0.00 O ATOM 232 OD2 ASP 1 17 5.267 3.459 -10.469 1.00 0.00 O ATOM 0 H ASP 1 17 4.771 5.124 -7.111 1.00 0.00 H new ATOM 0 HA ASP 1 17 7.298 6.267 -8.090 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.403 4.287 -9.473 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.005 3.774 -7.845 1.00 0.00 H new ATOM 237 N CYS 1 18 6.506 7.399 -10.089 1.00 0.00 N ATOM 238 CA CYS 1 18 6.054 8.188 -11.226 1.00 0.00 C ATOM 239 C CYS 1 18 7.255 8.710 -12.010 1.00 0.00 C ATOM 240 O CYS 1 18 8.154 9.332 -11.444 1.00 0.00 O ATOM 241 CB CYS 1 18 5.190 9.359 -10.751 1.00 0.00 C ATOM 242 SG CYS 1 18 3.469 8.918 -10.352 1.00 0.00 S ATOM 0 H CYS 1 18 7.469 7.586 -9.808 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.454 7.552 -11.876 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.652 9.800 -9.868 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 5.185 10.127 -11.525 1.00 0.00 H new ATOM 247 N GLY 1 19 7.269 8.449 -13.313 1.00 0.00 N ATOM 248 CA GLY 1 19 8.368 8.894 -14.151 1.00 0.00 C ATOM 249 C GLY 1 19 8.627 10.384 -14.034 1.00 0.00 C ATOM 250 O GLY 1 19 9.757 10.808 -13.795 1.00 0.00 O ATOM 0 H GLY 1 19 6.537 7.936 -13.805 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.272 8.350 -13.877 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.150 8.648 -15.190 1.00 0.00 H new ATOM 254 N SER 1 20 7.580 11.180 -14.206 1.00 0.00 N ATOM 255 CA SER 1 20 7.704 12.631 -14.118 1.00 0.00 C ATOM 256 C SER 1 20 6.523 13.239 -13.363 1.00 0.00 C ATOM 257 O SER 1 20 5.381 12.819 -13.546 1.00 0.00 O ATOM 258 CB SER 1 20 7.795 13.240 -15.519 1.00 0.00 C ATOM 259 OG SER 1 20 8.265 14.576 -15.464 1.00 0.00 O ATOM 0 H SER 1 20 6.637 10.848 -14.407 1.00 0.00 H new ATOM 0 HA SER 1 20 8.617 12.858 -13.567 1.00 0.00 H new ATOM 0 HB2 SER 1 20 8.464 12.641 -16.137 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.814 13.215 -15.994 1.00 0.00 H new ATOM 0 HG SER 1 20 8.316 14.942 -16.371 1.00 0.00 H new ATOM 265 N PRO 1 21 6.779 14.244 -12.504 1.00 0.00 N ATOM 266 CA PRO 1 21 5.725 14.906 -11.729 1.00 0.00 C ATOM 267 C PRO 1 21 4.526 15.286 -12.591 1.00 0.00 C ATOM 268 O PRO 1 21 3.385 15.266 -12.130 1.00 0.00 O ATOM 269 CB PRO 1 21 6.418 16.159 -11.194 1.00 0.00 C ATOM 270 CG PRO 1 21 7.855 15.781 -11.098 1.00 0.00 C ATOM 271 CD PRO 1 21 8.112 14.815 -12.224 1.00 0.00 C ATOM 0 HA PRO 1 21 5.321 14.259 -10.950 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 6.275 17.007 -11.863 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 6.018 16.449 -10.222 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.495 16.659 -11.185 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.073 15.322 -10.134 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 8.524 15.319 -13.098 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 8.826 14.044 -11.935 1.00 0.00 H new ATOM 279 N ALA 1 22 4.794 15.625 -13.848 1.00 0.00 N ATOM 280 CA ALA 1 22 3.739 16.002 -14.780 1.00 0.00 C ATOM 281 C ALA 1 22 3.124 14.767 -15.428 1.00 0.00 C ATOM 282 O ALA 1 22 1.963 14.779 -15.835 1.00 0.00 O ATOM 283 CB ALA 1 22 4.285 16.944 -15.843 1.00 0.00 C ATOM 0 H ALA 1 22 5.734 15.646 -14.244 1.00 0.00 H new ATOM 0 HA ALA 1 22 2.958 16.519 -14.223 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 3.486 17.217 -16.532 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 4.676 17.843 -15.366 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 5.085 16.448 -16.393 1.00 0.00 H new ATOM 289 N ASN 1 23 3.912 13.699 -15.513 1.00 0.00 N ATOM 290 CA ASN 1 23 3.448 12.450 -16.103 1.00 0.00 C ATOM 291 C ASN 1 23 3.225 11.395 -15.023 1.00 0.00 C ATOM 292 O ASN 1 23 3.233 10.196 -15.300 1.00 0.00 O ATOM 293 CB ASN 1 23 4.457 11.939 -17.132 1.00 0.00 C ATOM 294 CG ASN 1 23 4.724 12.949 -18.231 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.795 13.476 -18.844 1.00 0.00 O ATOM 296 ND2 ASN 1 23 5.998 13.224 -18.486 1.00 0.00 N ATOM 0 H ASN 1 23 4.876 13.675 -15.180 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.499 12.642 -16.604 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.393 11.697 -16.629 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.085 11.015 -17.574 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 6.239 13.896 -19.215 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 6.736 12.763 -17.953 1.00 0.00 H new ATOM 303 N CYS 1 24 3.029 11.854 -13.790 1.00 0.00 N ATOM 304 CA CYS 1 24 2.807 10.960 -12.666 1.00 0.00 C ATOM 305 C CYS 1 24 1.452 10.279 -12.783 1.00 0.00 C ATOM 306 O CYS 1 24 0.456 10.758 -12.241 1.00 0.00 O ATOM 307 CB CYS 1 24 2.892 11.730 -11.348 1.00 0.00 C ATOM 308 SG CYS 1 24 2.621 10.700 -9.868 1.00 0.00 S ATOM 0 H CYS 1 24 3.020 12.845 -13.547 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.584 10.196 -12.679 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.873 12.200 -11.276 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.154 12.532 -11.360 1.00 0.00 H new ATOM 313 N GLN 1 25 1.424 9.163 -13.496 1.00 0.00 N ATOM 314 CA GLN 1 25 0.191 8.408 -13.692 1.00 0.00 C ATOM 315 C GLN 1 25 -0.252 7.721 -12.400 1.00 0.00 C ATOM 316 O GLN 1 25 -0.478 6.511 -12.374 1.00 0.00 O ATOM 317 CB GLN 1 25 0.380 7.368 -14.799 1.00 0.00 C ATOM 318 CG GLN 1 25 1.508 6.386 -14.525 1.00 0.00 C ATOM 319 CD GLN 1 25 2.264 6.003 -15.781 1.00 0.00 C ATOM 320 OE1 GLN 1 25 2.380 4.823 -16.115 1.00 0.00 O ATOM 321 NE2 GLN 1 25 2.785 7.000 -16.486 1.00 0.00 N ATOM 0 H GLN 1 25 2.242 8.758 -13.950 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.589 9.110 -13.986 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -0.550 6.814 -14.928 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 0.578 7.882 -15.739 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 2.201 6.825 -13.808 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 1.099 5.487 -14.063 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.665 7.963 -16.173 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 3.305 6.803 -17.341 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.383 8.502 -11.331 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.806 7.973 -10.041 1.00 0.00 C ATOM 332 C ASP 1 26 -1.650 9.000 -9.293 1.00 0.00 C ATOM 333 O ASP 1 26 -1.118 9.888 -8.626 1.00 0.00 O ATOM 334 CB ASP 1 26 0.410 7.581 -9.200 1.00 0.00 C ATOM 335 CG ASP 1 26 1.184 6.427 -9.805 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.758 6.607 -10.900 1.00 0.00 O ATOM 337 OD2 ASP 1 26 1.217 5.344 -9.185 1.00 0.00 O ATOM 0 H ASP 1 26 -0.201 9.506 -11.335 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.412 7.084 -10.217 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.070 8.443 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.082 7.308 -8.197 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.967 8.877 -9.413 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.886 9.798 -8.754 1.00 0.00 C ATOM 344 C ARG 1 27 -3.761 9.713 -7.236 1.00 0.00 C ATOM 345 O ARG 1 27 -4.069 10.670 -6.525 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.326 9.500 -9.175 1.00 0.00 C ATOM 347 CG ARG 1 27 -6.315 10.581 -8.768 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.419 10.742 -9.800 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.292 11.874 -9.495 1.00 0.00 N ATOM 350 CZ ARG 1 27 -9.231 11.853 -8.552 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -9.422 10.762 -7.820 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -9.981 12.926 -8.340 1.00 0.00 N ATOM 0 H ARG 1 27 -3.423 8.148 -9.961 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.623 10.810 -9.062 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.361 9.376 -10.257 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.635 8.552 -8.735 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.752 10.330 -7.802 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.790 11.528 -8.644 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -6.976 10.881 -10.786 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -8.012 9.828 -9.843 1.00 0.00 H new ATOM 0 HE ARG 1 27 -8.175 12.730 -10.037 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -8.848 9.934 -7.979 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -10.143 10.752 -7.099 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.838 13.767 -8.900 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -10.701 12.910 -7.617 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.313 8.563 -6.743 1.00 0.00 N ATOM 367 CA CYS 1 28 -3.156 8.360 -5.307 1.00 0.00 C ATOM 368 C CYS 1 28 -1.690 8.456 -4.890 1.00 0.00 C ATOM 369 O CYS 1 28 -1.296 7.919 -3.854 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.724 6.998 -4.903 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.237 6.893 -3.158 1.00 0.00 S ATOM 0 H CYS 1 28 -3.053 7.759 -7.315 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.707 9.148 -4.795 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -4.581 6.772 -5.537 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.973 6.232 -5.097 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.883 9.139 -5.698 1.00 0.00 N ATOM 377 CA CYS 1 29 0.537 9.292 -5.400 1.00 0.00 C ATOM 378 C CYS 1 29 1.132 10.478 -6.159 1.00 0.00 C ATOM 379 O CYS 1 29 0.848 10.680 -7.340 1.00 0.00 O ATOM 380 CB CYS 1 29 1.282 7.987 -5.733 1.00 0.00 C ATOM 381 SG CYS 1 29 2.825 8.183 -6.692 1.00 0.00 S ATOM 0 H CYS 1 29 -1.187 9.593 -6.560 1.00 0.00 H new ATOM 0 HA CYS 1 29 0.653 9.497 -4.336 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.518 7.476 -4.800 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 0.608 7.337 -6.291 1.00 0.00 H new ATOM 386 N ASN 1 30 1.964 11.253 -5.470 1.00 0.00 N ATOM 387 CA ASN 1 30 2.610 12.415 -6.072 1.00 0.00 C ATOM 388 C ASN 1 30 4.117 12.189 -6.210 1.00 0.00 C ATOM 389 O ASN 1 30 4.816 11.950 -5.218 1.00 0.00 O ATOM 390 CB ASN 1 30 2.333 13.663 -5.229 1.00 0.00 C ATOM 391 CG ASN 1 30 3.006 14.903 -5.782 1.00 0.00 C ATOM 392 OD1 ASN 1 30 2.642 15.398 -6.849 1.00 0.00 O ATOM 393 ND2 ASN 1 30 3.994 15.412 -5.056 1.00 0.00 N ATOM 0 H ASN 1 30 2.207 11.097 -4.492 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.197 12.562 -7.070 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.257 13.831 -5.178 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 2.678 13.492 -4.209 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.485 16.247 -5.377 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.262 14.968 -4.177 1.00 0.00 H new ATOM 400 N ALA 1 31 4.609 12.255 -7.447 1.00 0.00 N ATOM 401 CA ALA 1 31 6.028 12.052 -7.726 1.00 0.00 C ATOM 402 C ALA 1 31 6.878 13.148 -7.093 1.00 0.00 C ATOM 403 O ALA 1 31 7.922 12.876 -6.501 1.00 0.00 O ATOM 404 CB ALA 1 31 6.267 12.009 -9.227 1.00 0.00 C ATOM 0 H ALA 1 31 4.043 12.448 -8.273 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.323 11.098 -7.288 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.329 11.857 -9.422 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 5.697 11.188 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 5.947 12.950 -9.673 1.00 0.00 H new ATOM 410 N ALA 1 32 6.421 14.389 -7.227 1.00 0.00 N ATOM 411 CA ALA 1 32 7.132 15.539 -6.676 1.00 0.00 C ATOM 412 C ALA 1 32 7.486 15.337 -5.203 1.00 0.00 C ATOM 413 O ALA 1 32 8.380 16.000 -4.677 1.00 0.00 O ATOM 414 CB ALA 1 32 6.297 16.798 -6.847 1.00 0.00 C ATOM 0 H ALA 1 32 5.557 14.625 -7.715 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.067 15.646 -7.227 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 6.835 17.651 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.108 16.968 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.348 16.679 -6.324 1.00 0.00 H new ATOM 420 N THR 1 33 6.785 14.421 -4.541 1.00 0.00 N ATOM 421 CA THR 1 33 7.036 14.141 -3.135 1.00 0.00 C ATOM 422 C THR 1 33 7.516 12.711 -2.954 1.00 0.00 C ATOM 423 O THR 1 33 8.135 12.375 -1.945 1.00 0.00 O ATOM 424 CB THR 1 33 5.765 14.362 -2.309 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.067 14.404 -0.926 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.717 13.285 -2.518 1.00 0.00 C ATOM 0 H THR 1 33 6.040 13.862 -4.957 1.00 0.00 H new ATOM 0 HA THR 1 33 7.811 14.824 -2.787 1.00 0.00 H new ATOM 0 HB THR 1 33 5.359 15.313 -2.654 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.243 14.547 -0.415 1.00 0.00 H new ATOM 0 HG21 THR 1 33 3.844 13.503 -1.903 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.425 13.260 -3.568 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.128 12.317 -2.233 1.00 0.00 H new ATOM 434 N CYS 1 34 7.207 11.865 -3.931 1.00 0.00 N ATOM 435 CA CYS 1 34 7.588 10.470 -3.865 1.00 0.00 C ATOM 436 C CYS 1 34 6.886 9.813 -2.691 1.00 0.00 C ATOM 437 O CYS 1 34 7.492 9.081 -1.913 1.00 0.00 O ATOM 438 CB CYS 1 34 9.105 10.337 -3.731 1.00 0.00 C ATOM 439 SG CYS 1 34 10.047 11.423 -4.852 1.00 0.00 S ATOM 0 H CYS 1 34 6.695 12.126 -4.774 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.287 9.969 -4.785 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.389 10.559 -2.703 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.387 9.302 -3.923 1.00 0.00 H new ATOM 444 N LYS 1 35 5.592 10.093 -2.574 1.00 0.00 N ATOM 445 CA LYS 1 35 4.778 9.540 -1.497 1.00 0.00 C ATOM 446 C LYS 1 35 3.302 9.576 -1.875 1.00 0.00 C ATOM 447 O LYS 1 35 2.930 10.131 -2.909 1.00 0.00 O ATOM 448 CB LYS 1 35 4.990 10.328 -0.199 1.00 0.00 C ATOM 449 CG LYS 1 35 6.414 10.289 0.332 1.00 0.00 C ATOM 450 CD LYS 1 35 6.831 8.877 0.714 1.00 0.00 C ATOM 451 CE LYS 1 35 6.151 8.424 1.996 1.00 0.00 C ATOM 452 NZ LYS 1 35 7.033 8.594 3.183 1.00 0.00 N ATOM 0 H LYS 1 35 5.083 10.702 -3.214 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.085 8.506 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 4.706 11.367 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.319 9.935 0.565 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.096 10.678 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 6.497 10.941 1.201 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.580 8.191 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 7.913 8.838 0.841 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 5.233 8.994 2.141 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 5.864 7.376 1.904 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 6.532 8.274 4.036 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 7.898 8.030 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 7.286 9.597 3.286 1.00 0.00 H new ATOM 466 N LEU 1 36 2.463 8.991 -1.028 1.00 0.00 N ATOM 467 CA LEU 1 36 1.028 8.969 -1.276 1.00 0.00 C ATOM 468 C LEU 1 36 0.474 10.389 -1.326 1.00 0.00 C ATOM 469 O LEU 1 36 0.836 11.235 -0.508 1.00 0.00 O ATOM 470 CB LEU 1 36 0.313 8.166 -0.188 1.00 0.00 C ATOM 471 CG LEU 1 36 0.618 6.664 -0.184 1.00 0.00 C ATOM 472 CD1 LEU 1 36 1.290 6.255 1.118 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.655 5.860 -0.403 1.00 0.00 C ATOM 0 H LEU 1 36 2.751 8.527 -0.166 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.852 8.491 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.584 8.579 0.784 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.762 8.303 -0.304 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.304 6.453 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 1.498 5.185 1.100 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 2.224 6.804 1.233 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.630 6.482 1.955 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.419 4.796 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.365 6.079 0.395 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -1.094 6.129 -1.364 1.00 0.00 H new ATOM 485 N THR 1 37 -0.403 10.648 -2.291 1.00 0.00 N ATOM 486 CA THR 1 37 -1.002 11.971 -2.444 1.00 0.00 C ATOM 487 C THR 1 37 -1.651 12.432 -1.141 1.00 0.00 C ATOM 488 O THR 1 37 -1.908 11.625 -0.248 1.00 0.00 O ATOM 489 CB THR 1 37 -2.040 11.955 -3.567 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.676 10.692 -3.641 1.00 0.00 O ATOM 491 CG2 THR 1 37 -1.454 12.256 -4.929 1.00 0.00 C ATOM 0 H THR 1 37 -0.715 9.961 -2.978 1.00 0.00 H new ATOM 0 HA THR 1 37 -0.209 12.674 -2.700 1.00 0.00 H new ATOM 0 HB THR 1 37 -2.751 12.742 -3.315 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -3.605 10.776 -3.341 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -2.244 12.228 -5.679 1.00 0.00 H new ATOM 0 HG22 THR 1 37 -0.998 13.246 -4.918 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.697 11.511 -5.172 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.928 13.741 -1.015 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.552 14.304 0.186 1.00 0.00 C ATOM 501 C PRO 1 38 -3.861 13.605 0.534 1.00 0.00 C ATOM 502 O PRO 1 38 -4.825 13.655 -0.230 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.806 15.774 -0.182 1.00 0.00 C ATOM 504 CG PRO 1 38 -2.643 15.849 -1.663 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.661 14.774 -2.026 1.00 0.00 C ATOM 0 HA PRO 1 38 -1.919 14.183 1.065 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.806 16.087 0.119 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.100 16.433 0.324 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -3.596 15.694 -2.169 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -2.277 16.830 -1.966 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.823 14.402 -3.038 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.632 15.132 -1.978 1.00 0.00 H new ATOM 513 N GLY 1 39 -3.887 12.951 1.690 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.081 12.247 2.118 1.00 0.00 C ATOM 515 C GLY 1 39 -5.117 10.816 1.619 1.00 0.00 C ATOM 516 O GLY 1 39 -6.190 10.233 1.463 1.00 0.00 O ATOM 0 H GLY 1 39 -3.102 12.896 2.339 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.131 12.251 3.207 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -5.962 12.778 1.756 1.00 0.00 H new ATOM 520 N SER 1 40 -3.942 10.248 1.366 1.00 0.00 N ATOM 521 CA SER 1 40 -3.843 8.877 0.880 1.00 0.00 C ATOM 522 C SER 1 40 -2.754 8.112 1.625 1.00 0.00 C ATOM 523 O SER 1 40 -1.618 8.575 1.732 1.00 0.00 O ATOM 524 CB SER 1 40 -3.554 8.866 -0.621 1.00 0.00 C ATOM 525 OG SER 1 40 -4.723 9.154 -1.368 1.00 0.00 O ATOM 0 H SER 1 40 -3.045 10.717 1.490 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.798 8.384 1.063 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -2.782 9.600 -0.851 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.164 7.891 -0.912 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.817 8.501 -2.093 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.108 6.939 2.140 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.162 6.109 2.877 1.00 0.00 C ATOM 533 C GLN 1 41 -1.866 4.815 2.125 1.00 0.00 C ATOM 534 O GLN 1 41 -0.767 4.269 2.217 1.00 0.00 O ATOM 535 CB GLN 1 41 -2.712 5.788 4.268 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.054 7.023 5.086 1.00 0.00 C ATOM 537 CD GLN 1 41 -1.961 7.393 6.068 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.111 7.218 7.278 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -0.851 7.908 5.552 1.00 0.00 N ATOM 0 H GLN 1 41 -4.044 6.542 2.060 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.232 6.668 2.979 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -3.606 5.173 4.163 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -1.978 5.194 4.812 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.232 7.862 4.413 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -3.982 6.848 5.630 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -0.769 8.036 4.543 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.080 8.176 6.164 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.856 4.328 1.383 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.705 3.096 0.617 1.00 0.00 C ATOM 550 C CYS 1 42 -3.047 3.315 -0.853 1.00 0.00 C ATOM 551 O CYS 1 42 -4.218 3.354 -1.230 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.589 2.003 1.201 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.789 0.370 1.219 1.00 0.00 S ATOM 0 H CYS 1 42 -3.772 4.768 1.296 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.662 2.786 0.680 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.868 2.275 2.219 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.511 1.943 0.623 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.015 3.451 -1.678 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.200 3.661 -3.112 1.00 0.00 C ATOM 560 C ASN 1 43 -2.077 2.348 -3.885 1.00 0.00 C ATOM 561 O ASN 1 43 -2.251 2.319 -5.103 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.177 4.669 -3.641 1.00 0.00 C ATOM 563 CG ASN 1 43 0.221 4.412 -3.114 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.554 3.293 -2.722 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.049 5.450 -3.102 1.00 0.00 N ATOM 0 H ASN 1 43 -1.040 3.420 -1.380 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.205 4.056 -3.261 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.164 4.630 -4.730 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -1.487 5.676 -3.362 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.003 5.338 -2.759 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.731 6.360 -3.436 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.779 1.266 -3.172 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.635 -0.047 -3.792 1.00 0.00 C ATOM 574 C TYR 1 44 -1.274 -1.085 -2.731 1.00 0.00 C ATOM 575 O TYR 1 44 -0.360 -0.878 -1.932 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.578 -0.004 -4.906 1.00 0.00 C ATOM 577 CG TYR 1 44 0.765 -0.564 -4.503 1.00 0.00 C ATOM 578 CD1 TYR 1 44 0.953 -1.933 -4.385 1.00 0.00 C ATOM 579 CD2 TYR 1 44 1.837 0.274 -4.232 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.170 -2.455 -4.009 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.061 -0.238 -3.855 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.224 -1.605 -3.743 1.00 0.00 C ATOM 583 OH TYR 1 44 4.443 -2.121 -3.366 1.00 0.00 O ATOM 0 H TYR 1 44 -1.632 1.273 -2.163 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.584 -0.332 -4.245 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -0.949 -0.562 -5.766 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.447 1.029 -5.228 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.130 -2.601 -4.592 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 1.711 1.343 -4.318 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.299 -3.524 -3.923 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 3.887 0.426 -3.649 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.077 -1.388 -3.218 1.00 0.00 H new ATOM 593 N GLY 1 45 -2.012 -2.187 -2.712 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.774 -3.226 -1.728 1.00 0.00 C ATOM 595 C GLY 1 45 -3.067 -3.806 -1.180 1.00 0.00 C ATOM 596 O GLY 1 45 -4.149 -3.264 -1.411 1.00 0.00 O ATOM 0 H GLY 1 45 -2.774 -2.381 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.183 -4.023 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.184 -2.818 -0.907 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.952 -4.917 -0.463 1.00 0.00 N ATOM 601 CA GLU 1 46 -4.111 -5.598 0.110 1.00 0.00 C ATOM 602 C GLU 1 46 -4.915 -4.705 1.055 1.00 0.00 C ATOM 603 O GLU 1 46 -6.145 -4.685 1.006 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.648 -6.839 0.872 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.679 -8.113 0.044 1.00 0.00 C ATOM 606 CD GLU 1 46 -2.923 -7.979 -1.263 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.347 -7.170 -2.115 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -1.905 -8.683 -1.435 1.00 0.00 O ATOM 0 H GLU 1 46 -2.061 -5.370 -0.262 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.764 -5.870 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.632 -6.675 1.232 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.280 -6.972 1.750 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.250 -8.930 0.625 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.715 -8.380 -0.166 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.219 -4.003 1.937 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.872 -3.148 2.925 1.00 0.00 C ATOM 617 C CYS 1 47 -5.499 -1.894 2.313 1.00 0.00 C ATOM 618 O CYS 1 47 -6.292 -1.218 2.966 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.866 -2.751 4.004 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.763 -3.929 5.387 1.00 0.00 S ATOM 0 H CYS 1 47 -3.200 -4.007 1.991 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.687 -3.727 3.359 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.880 -2.653 3.549 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.136 -1.770 4.395 1.00 0.00 H new ATOM 625 N CYS 1 48 -5.137 -1.563 1.080 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.670 -0.366 0.437 1.00 0.00 C ATOM 627 C CYS 1 48 -7.156 -0.473 0.127 1.00 0.00 C ATOM 628 O CYS 1 48 -7.656 -1.520 -0.283 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.891 -0.061 -0.839 1.00 0.00 C ATOM 630 SG CYS 1 48 -3.106 -0.300 -0.657 1.00 0.00 S ATOM 0 H CYS 1 48 -4.484 -2.099 0.509 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.551 0.452 1.147 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -5.257 -0.700 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -5.085 0.969 -1.138 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.845 0.645 0.329 1.00 0.00 N ATOM 636 CA ASP 1 49 -9.275 0.748 0.083 1.00 0.00 C ATOM 637 C ASP 1 49 -9.682 2.218 0.076 1.00 0.00 C ATOM 638 O ASP 1 49 -9.719 2.865 1.123 1.00 0.00 O ATOM 639 CB ASP 1 49 -10.061 -0.016 1.152 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.016 -1.029 0.552 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.563 -1.866 -0.256 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.217 -0.985 0.891 1.00 0.00 O ATOM 0 H ASP 1 49 -7.423 1.509 0.670 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.503 0.305 -0.887 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.364 -0.527 1.816 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.622 0.692 1.762 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.960 2.750 -1.110 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.337 4.152 -1.244 1.00 0.00 C ATOM 649 C GLN 1 50 -9.167 5.052 -0.856 1.00 0.00 C ATOM 650 O GLN 1 50 -9.354 6.124 -0.282 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.554 4.468 -0.370 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.664 3.435 -0.477 1.00 0.00 C ATOM 653 CD GLN 1 50 -14.044 4.063 -0.503 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.799 3.971 0.465 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.380 4.708 -1.614 1.00 0.00 N ATOM 0 H GLN 1 50 -9.931 2.233 -1.989 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.599 4.340 -2.285 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.235 4.540 0.670 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.949 5.444 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.520 2.845 -1.382 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.598 2.747 0.366 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.723 4.760 -2.392 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.295 5.152 -1.689 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.957 4.595 -1.173 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.739 5.338 -0.863 1.00 0.00 C ATOM 666 C CYS 1 51 -6.535 5.460 0.646 1.00 0.00 C ATOM 667 O CYS 1 51 -5.882 6.390 1.119 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.773 6.727 -1.504 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.260 6.750 -3.252 1.00 0.00 S ATOM 0 H CYS 1 51 -7.795 3.707 -1.648 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.899 4.781 -1.278 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.784 7.126 -1.428 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.123 7.394 -0.937 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.089 4.511 1.395 1.00 0.00 N ATOM 675 CA ARG 1 52 -6.959 4.508 2.848 1.00 0.00 C ATOM 676 C ARG 1 52 -6.689 3.095 3.357 1.00 0.00 C ATOM 677 O ARG 1 52 -7.256 2.128 2.850 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.228 5.064 3.498 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.570 6.476 3.052 1.00 0.00 C ATOM 680 CD ARG 1 52 -7.834 7.516 3.880 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.476 7.742 5.173 1.00 0.00 N ATOM 682 CZ ARG 1 52 -9.669 8.315 5.317 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -10.352 8.719 4.253 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -10.181 8.482 6.529 1.00 0.00 N ATOM 0 H ARG 1 52 -7.632 3.734 1.019 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.117 5.145 3.118 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.065 4.405 3.265 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.106 5.053 4.581 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.313 6.599 2.000 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.645 6.635 3.138 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -6.805 7.192 4.038 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.791 8.455 3.328 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.982 7.444 6.014 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -9.963 8.591 3.319 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -11.266 9.157 4.370 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -9.661 8.172 7.350 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -11.095 8.921 6.641 1.00 0.00 H new ATOM 698 N PHE 1 53 -5.818 2.977 4.357 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.484 1.670 4.913 1.00 0.00 C ATOM 700 C PHE 1 53 -6.712 1.004 5.505 1.00 0.00 C ATOM 701 O PHE 1 53 -7.503 1.637 6.204 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.389 1.782 5.979 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.029 2.057 5.409 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.656 1.510 4.196 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.125 2.860 6.085 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.412 1.755 3.662 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -0.873 3.110 5.556 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.516 2.557 4.341 1.00 0.00 C ATOM 0 H PHE 1 53 -5.336 3.762 4.794 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.108 1.055 4.095 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -4.651 2.578 6.676 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.354 0.856 6.552 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.351 0.881 3.660 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.401 3.295 7.034 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.136 1.320 2.712 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.175 3.736 6.091 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.461 2.751 3.924 1.00 0.00 H new ATOM 718 N LYS 1 54 -6.858 -0.281 5.223 1.00 0.00 N ATOM 719 CA LYS 1 54 -7.988 -1.043 5.732 1.00 0.00 C ATOM 720 C LYS 1 54 -7.956 -1.077 7.254 1.00 0.00 C ATOM 721 O LYS 1 54 -7.282 -1.916 7.848 1.00 0.00 O ATOM 722 CB LYS 1 54 -7.970 -2.465 5.165 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.012 -2.700 4.081 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.586 -3.802 3.122 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.571 -3.315 1.681 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.916 -4.403 0.724 1.00 0.00 N ATOM 0 H LYS 1 54 -6.210 -0.817 4.646 1.00 0.00 H new ATOM 0 HA LYS 1 54 -8.910 -0.556 5.414 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -6.981 -2.673 4.758 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.136 -3.173 5.977 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.963 -2.966 4.542 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.174 -1.776 3.525 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.594 -4.160 3.396 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -9.267 -4.648 3.214 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.279 -2.494 1.568 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.584 -2.920 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.336 -3.991 -0.133 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.055 -4.928 0.470 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.598 -5.051 1.167 1.00 0.00 H new ATOM 740 N LYS 1 55 -8.681 -0.146 7.876 1.00 0.00 N ATOM 741 CA LYS 1 55 -8.743 -0.039 9.337 1.00 0.00 C ATOM 742 C LYS 1 55 -8.441 -1.371 10.018 1.00 0.00 C ATOM 743 O LYS 1 55 -9.022 -2.403 9.672 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.122 0.462 9.771 1.00 0.00 C ATOM 745 CG LYS 1 55 -10.234 0.719 11.264 1.00 0.00 C ATOM 746 CD LYS 1 55 -11.274 1.785 11.570 1.00 0.00 C ATOM 747 CE LYS 1 55 -10.837 2.676 12.722 1.00 0.00 C ATOM 748 NZ LYS 1 55 -11.433 4.037 12.629 1.00 0.00 N ATOM 0 H LYS 1 55 -9.240 0.552 7.385 1.00 0.00 H new ATOM 0 HA LYS 1 55 -7.979 0.675 9.645 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -10.350 1.383 9.234 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -10.874 -0.271 9.480 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -10.499 -0.207 11.775 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -9.265 1.032 11.654 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -11.444 2.394 10.682 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -12.223 1.309 11.817 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.128 2.216 13.667 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -9.750 2.755 12.727 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -11.110 4.613 13.433 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -11.135 4.486 11.739 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -12.470 3.964 12.650 1.00 0.00 H new ATOM 762 N ALA 1 56 -7.521 -1.343 10.982 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.138 -2.548 11.704 1.00 0.00 C ATOM 764 C ALA 1 56 -8.361 -3.381 12.052 1.00 0.00 C ATOM 765 O ALA 1 56 -9.324 -2.878 12.631 1.00 0.00 O ATOM 766 CB ALA 1 56 -6.369 -2.201 12.966 1.00 0.00 C ATOM 0 H ALA 1 56 -7.030 -0.499 11.278 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.490 -3.135 11.052 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.094 -3.117 13.488 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -5.467 -1.649 12.702 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -6.993 -1.587 13.615 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.327 -4.646 11.675 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.452 -5.520 11.935 1.00 0.00 C ATOM 774 C GLY 1 57 -10.088 -6.012 10.653 1.00 0.00 C ATOM 775 O GLY 1 57 -10.940 -6.899 10.674 1.00 0.00 O ATOM 0 H GLY 1 57 -7.542 -5.086 11.194 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.121 -6.373 12.527 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.195 -4.989 12.529 1.00 0.00 H new ATOM 779 N THR 1 58 -9.658 -5.443 9.528 1.00 0.00 N ATOM 780 CA THR 1 58 -10.171 -5.839 8.226 1.00 0.00 C ATOM 781 C THR 1 58 -9.475 -7.111 7.750 1.00 0.00 C ATOM 782 O THR 1 58 -8.293 -7.089 7.407 1.00 0.00 O ATOM 783 CB THR 1 58 -9.952 -4.718 7.211 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.629 -3.539 7.609 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.427 -5.075 5.822 1.00 0.00 C ATOM 0 H THR 1 58 -8.954 -4.705 9.496 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.240 -6.033 8.317 1.00 0.00 H new ATOM 0 HB THR 1 58 -8.874 -4.559 7.181 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.125 -3.098 8.324 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.244 -4.238 5.148 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.886 -5.952 5.467 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.495 -5.293 5.847 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.206 -8.221 7.737 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.640 -9.494 7.310 1.00 0.00 C ATOM 795 C VAL 1 59 -9.354 -9.500 5.811 1.00 0.00 C ATOM 796 O VAL 1 59 -10.264 -9.355 4.995 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.574 -10.678 7.643 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.944 -10.472 7.017 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.962 -11.994 7.182 1.00 0.00 C ATOM 0 H VAL 1 59 -11.186 -8.264 8.016 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.706 -9.613 7.859 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.697 -10.722 8.725 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.587 -11.317 7.263 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.387 -9.554 7.404 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.842 -10.397 5.934 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.637 -12.814 7.427 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.803 -11.964 6.104 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -9.007 -12.147 7.685 1.00 0.00 H new ATOM 809 N CYS 1 60 -8.086 -9.682 5.456 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.688 -9.723 4.051 1.00 0.00 C ATOM 811 C CYS 1 60 -7.381 -11.152 3.614 1.00 0.00 C ATOM 812 O CYS 1 60 -7.475 -11.484 2.432 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.462 -8.844 3.806 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.552 -7.201 4.580 1.00 0.00 S ATOM 0 H CYS 1 60 -7.319 -9.803 6.117 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.523 -9.342 3.463 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.578 -9.361 4.180 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.328 -8.720 2.731 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.005 -11.991 4.574 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.672 -13.384 4.289 1.00 0.00 C ATOM 821 C ARG 1 61 -6.920 -14.277 5.500 1.00 0.00 C ATOM 822 O ARG 1 61 -7.196 -13.797 6.598 1.00 0.00 O ATOM 823 CB ARG 1 61 -5.210 -13.505 3.854 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.775 -12.431 2.873 1.00 0.00 C ATOM 825 CD ARG 1 61 -3.309 -12.576 2.494 1.00 0.00 C ATOM 826 NE ARG 1 61 -2.423 -12.441 3.649 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.156 -12.041 3.572 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.615 -11.741 2.397 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.425 -11.948 4.673 1.00 0.00 N ATOM 0 H ARG 1 61 -6.923 -11.731 5.557 1.00 0.00 H new ATOM 0 HA ARG 1 61 -7.321 -13.716 3.479 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.572 -13.458 4.737 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -5.055 -14.484 3.400 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -5.390 -12.487 1.975 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.942 -11.448 3.312 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -3.151 -13.549 2.029 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -3.051 -11.821 1.751 1.00 0.00 H new ATOM 0 HE ARG 1 61 -2.799 -12.667 4.570 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.171 -11.816 1.545 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 0.357 -11.435 2.346 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.833 -12.183 5.578 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.546 -11.642 4.616 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.812 -15.582 5.283 1.00 0.00 N ATOM 844 CA ILE 1 62 -7.010 -16.571 6.336 1.00 0.00 C ATOM 845 C ILE 1 62 -6.332 -17.877 5.950 1.00 0.00 C ATOM 846 O ILE 1 62 -6.563 -18.408 4.863 1.00 0.00 O ATOM 847 CB ILE 1 62 -8.502 -16.865 6.615 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -9.321 -15.577 6.718 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.645 -17.674 7.895 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -9.606 -14.933 5.382 1.00 0.00 C ATOM 0 H ILE 1 62 -6.585 -15.984 4.374 1.00 0.00 H new ATOM 0 HA ILE 1 62 -6.573 -16.149 7.241 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.889 -17.442 5.775 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -10.266 -15.796 7.215 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.787 -14.866 7.348 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.700 -17.876 8.082 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.108 -18.617 7.791 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -8.230 -17.110 8.730 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -10.190 -14.025 5.533 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -8.666 -14.682 4.891 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.168 -15.626 4.756 1.00 0.00 H new ATOM 862 N ALA 1 63 -5.495 -18.389 6.839 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.777 -19.636 6.589 1.00 0.00 C ATOM 864 C ALA 1 63 -5.704 -20.708 6.024 1.00 0.00 C ATOM 865 O ALA 1 63 -5.595 -21.080 4.856 1.00 0.00 O ATOM 866 CB ALA 1 63 -4.103 -20.127 7.861 1.00 0.00 C ATOM 0 H ALA 1 63 -5.294 -17.962 7.743 1.00 0.00 H new ATOM 0 HA ALA 1 63 -4.008 -19.435 5.843 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -3.573 -21.057 7.656 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -3.395 -19.375 8.211 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.857 -20.301 8.629 1.00 0.00 H new ATOM 872 N ARG 1 64 -6.617 -21.195 6.856 1.00 0.00 N ATOM 873 CA ARG 1 64 -7.565 -22.223 6.427 1.00 0.00 C ATOM 874 C ARG 1 64 -8.479 -22.654 7.572 1.00 0.00 C ATOM 875 O ARG 1 64 -8.384 -23.777 8.067 1.00 0.00 O ATOM 876 CB ARG 1 64 -6.820 -23.440 5.868 1.00 0.00 C ATOM 877 CG ARG 1 64 -7.478 -24.043 4.638 1.00 0.00 C ATOM 878 CD ARG 1 64 -7.383 -23.109 3.442 1.00 0.00 C ATOM 879 NE ARG 1 64 -8.394 -23.409 2.431 1.00 0.00 N ATOM 880 CZ ARG 1 64 -8.368 -24.490 1.654 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -7.385 -25.374 1.768 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -9.327 -24.687 0.760 1.00 0.00 N ATOM 0 H ARG 1 64 -6.723 -20.899 7.826 1.00 0.00 H new ATOM 0 HA ARG 1 64 -8.185 -21.791 5.642 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.800 -23.148 5.618 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -6.752 -24.202 6.644 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -7.001 -24.993 4.398 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -8.525 -24.257 4.852 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -7.500 -22.078 3.777 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -6.391 -23.189 2.997 1.00 0.00 H new ATOM 0 HE ARG 1 64 -9.165 -22.752 2.313 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -6.644 -25.227 2.454 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -7.370 -26.200 1.170 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -10.085 -24.010 0.667 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -9.307 -25.515 0.165 1.00 0.00 H new ATOM 896 N GLY 1 65 -9.370 -21.759 7.982 1.00 0.00 N ATOM 897 CA GLY 1 65 -10.289 -22.076 9.059 1.00 0.00 C ATOM 898 C GLY 1 65 -10.659 -20.861 9.884 1.00 0.00 C ATOM 899 O GLY 1 65 -11.327 -19.949 9.397 1.00 0.00 O ATOM 0 H GLY 1 65 -9.473 -20.823 7.590 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -11.194 -22.517 8.642 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -9.838 -22.827 9.707 1.00 0.00 H new ATOM 903 N ASP 1 66 -10.223 -20.851 11.138 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.510 -19.740 12.037 1.00 0.00 C ATOM 905 C ASP 1 66 -9.681 -19.842 13.312 1.00 0.00 C ATOM 906 O ASP 1 66 -10.160 -20.312 14.344 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.999 -19.705 12.382 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.530 -21.064 12.795 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -12.639 -21.949 11.921 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.836 -21.243 13.993 1.00 0.00 O ATOM 0 H ASP 1 66 -9.670 -21.599 11.555 1.00 0.00 H new ATOM 0 HA ASP 1 66 -10.242 -18.815 11.526 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.165 -18.992 13.190 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.560 -19.346 11.520 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.434 -19.398 13.228 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.522 -19.434 14.367 1.00 0.00 C ATOM 917 C TRP 1 67 -7.055 -18.026 14.712 1.00 0.00 C ATOM 918 O TRP 1 67 -7.422 -17.467 15.745 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.314 -20.324 14.051 1.00 0.00 C ATOM 920 CG TRP 1 67 -6.252 -20.762 12.619 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.953 -19.989 11.534 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -6.506 -22.075 12.119 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -6.009 -20.743 10.390 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -6.345 -22.028 10.723 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.854 -23.286 12.717 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -6.520 -23.147 9.916 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -7.028 -24.399 11.916 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -6.860 -24.323 10.528 1.00 0.00 C ATOM 0 H TRP 1 67 -8.028 -19.006 12.378 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.052 -19.850 15.224 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.400 -19.783 14.297 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.345 -21.206 14.691 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.708 -18.938 11.571 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.830 -20.402 9.445 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.985 -23.353 13.787 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -6.392 -23.090 8.845 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -7.298 -25.342 12.368 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -7.002 -25.210 9.928 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.252 -17.462 13.823 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.729 -16.113 13.996 1.00 0.00 C ATOM 941 C ASN 1 68 -6.295 -15.193 12.921 1.00 0.00 C ATOM 942 O ASN 1 68 -6.579 -14.022 13.175 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.199 -16.114 13.929 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.583 -17.338 14.579 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.098 -17.278 15.709 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.601 -18.459 13.866 1.00 0.00 N ATOM 0 H ASN 1 68 -5.945 -17.922 12.966 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.033 -15.748 14.977 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.886 -16.066 12.886 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.818 -15.218 14.418 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.202 -19.315 14.252 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -4.013 -18.463 12.933 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.463 -15.740 11.720 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.003 -14.983 10.597 1.00 0.00 C ATOM 955 C ASP 1 69 -6.103 -13.806 10.242 1.00 0.00 C ATOM 956 O ASP 1 69 -5.472 -13.209 11.114 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.406 -14.476 10.925 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.480 -15.500 10.614 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.312 -16.675 11.005 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.489 -15.128 9.978 1.00 0.00 O ATOM 0 H ASP 1 69 -6.232 -16.709 11.500 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.052 -15.652 9.738 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.456 -14.211 11.981 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.602 -13.565 10.359 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.058 -13.471 8.958 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.244 -12.356 8.493 1.00 0.00 C ATOM 967 C ASP 1 70 -6.007 -11.052 8.643 1.00 0.00 C ATOM 968 O ASP 1 70 -7.140 -10.934 8.181 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.838 -12.561 7.034 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.726 -11.630 6.607 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.935 -10.401 6.658 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.648 -12.129 6.223 1.00 0.00 O ATOM 0 H ASP 1 70 -6.574 -13.954 8.223 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.341 -12.310 9.102 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.519 -13.593 6.891 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.706 -12.404 6.393 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.394 -10.079 9.310 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.053 -8.802 9.534 1.00 0.00 C ATOM 979 C TYR 1 71 -5.138 -7.612 9.308 1.00 0.00 C ATOM 980 O TYR 1 71 -3.957 -7.639 9.653 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.598 -8.753 10.952 1.00 0.00 C ATOM 982 CG TYR 1 71 -7.901 -9.480 11.096 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.073 -8.904 10.649 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -7.958 -10.739 11.669 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.278 -9.557 10.766 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.156 -11.407 11.792 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.319 -10.813 11.339 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.520 -11.473 11.460 1.00 0.00 O ATOM 0 H TYR 1 71 -4.454 -10.150 9.699 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.860 -8.730 8.805 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -5.867 -9.188 11.633 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.732 -7.713 11.250 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.043 -7.923 10.199 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.050 -11.204 12.025 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.186 -9.091 10.412 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.187 -12.389 12.240 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.373 -12.345 11.883 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.714 -6.559 8.744 1.00 0.00 N ATOM 999 CA CYS 1 72 -4.984 -5.330 8.481 1.00 0.00 C ATOM 1000 C CYS 1 72 -4.664 -4.619 9.793 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.255 -4.923 10.829 1.00 0.00 O ATOM 1002 CB CYS 1 72 -5.808 -4.414 7.575 1.00 0.00 C ATOM 1003 SG CYS 1 72 -4.861 -3.042 6.841 1.00 0.00 S ATOM 0 H CYS 1 72 -6.693 -6.534 8.458 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.049 -5.576 7.977 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.243 -5.010 6.773 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.637 -4.002 8.151 1.00 0.00 H new ATOM 1008 N THR 1 73 -3.726 -3.680 9.748 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.336 -2.939 10.944 1.00 0.00 C ATOM 1010 C THR 1 73 -3.542 -1.435 10.760 1.00 0.00 C ATOM 1011 O THR 1 73 -3.072 -0.634 11.569 1.00 0.00 O ATOM 1012 CB THR 1 73 -1.875 -3.230 11.289 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.005 -2.443 10.494 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.493 -4.681 11.089 1.00 0.00 C ATOM 0 H THR 1 73 -3.223 -3.414 8.901 1.00 0.00 H new ATOM 0 HA THR 1 73 -3.973 -3.268 11.765 1.00 0.00 H new ATOM 0 HB THR 1 73 -1.772 -2.985 12.346 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.075 -2.642 10.731 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.444 -4.821 11.351 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.113 -5.312 11.726 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -1.646 -4.957 10.046 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.248 -1.057 9.697 1.00 0.00 N ATOM 1023 CA GLY 1 74 -4.505 0.348 9.431 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.251 1.198 9.495 1.00 0.00 C ATOM 1025 O GLY 1 74 -3.319 2.395 9.776 1.00 0.00 O ATOM 0 H GLY 1 74 -4.647 -1.701 9.014 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -4.957 0.449 8.444 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.230 0.723 10.154 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.102 0.581 9.239 1.00 0.00 N ATOM 1030 CA LYS 1 75 -0.832 1.295 9.276 1.00 0.00 C ATOM 1031 C LYS 1 75 0.040 0.968 8.063 1.00 0.00 C ATOM 1032 O LYS 1 75 1.175 1.436 7.969 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.075 0.959 10.562 1.00 0.00 C ATOM 1034 CG LYS 1 75 -0.735 1.507 11.817 1.00 0.00 C ATOM 1035 CD LYS 1 75 0.290 1.817 12.896 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.251 1.512 14.283 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -0.322 0.047 14.542 1.00 0.00 N ATOM 0 H LYS 1 75 -2.025 -0.409 9.004 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.056 2.361 9.250 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 0.012 -0.124 10.650 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 0.938 1.355 10.492 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -1.291 2.412 11.571 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -1.456 0.783 12.196 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 1.193 1.232 12.720 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 0.574 2.868 12.838 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 0.385 1.983 15.032 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -1.244 1.948 14.389 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -0.482 -0.119 15.556 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -1.106 -0.364 13.996 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 0.572 -0.400 14.255 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.483 0.167 7.136 1.00 0.00 N ATOM 1052 CA SER 1 76 0.277 -0.201 5.946 1.00 0.00 C ATOM 1053 C SER 1 76 -0.602 -0.891 4.908 1.00 0.00 C ATOM 1054 O SER 1 76 -1.768 -1.194 5.162 1.00 0.00 O ATOM 1055 CB SER 1 76 1.444 -1.114 6.326 1.00 0.00 C ATOM 1056 OG SER 1 76 2.591 -0.359 6.674 1.00 0.00 O ATOM 0 H SER 1 76 -1.419 -0.235 7.186 1.00 0.00 H new ATOM 0 HA SER 1 76 0.662 0.718 5.504 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.155 -1.749 7.164 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.679 -1.775 5.492 1.00 0.00 H new ATOM 0 HG SER 1 76 2.341 0.340 7.314 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.021 -1.143 3.737 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.728 -1.807 2.646 1.00 0.00 C ATOM 1064 C SER 1 77 -0.595 -3.323 2.749 1.00 0.00 C ATOM 1065 O SER 1 77 -0.926 -4.048 1.811 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.177 -1.332 1.299 1.00 0.00 C ATOM 1067 OG SER 1 77 1.000 -2.040 0.949 1.00 0.00 O ATOM 0 H SER 1 77 0.944 -0.895 3.519 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.784 -1.548 2.720 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.932 -1.471 0.525 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.038 -0.265 1.347 1.00 0.00 H new ATOM 0 HG SER 1 77 1.330 -1.719 0.084 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.104 -3.798 3.890 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.078 -5.228 4.100 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.893 -5.763 5.146 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.185 -5.098 6.140 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.517 -5.522 4.528 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.523 -5.175 3.449 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.144 -5.180 2.259 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.692 -4.898 3.793 1.00 0.00 O ATOM 0 H ASP 1 78 0.174 -3.215 4.680 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.127 -5.732 3.156 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.747 -4.957 5.431 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.609 -6.578 4.781 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.383 -6.973 4.911 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.318 -7.617 5.823 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.725 -8.919 6.364 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.726 -9.939 5.675 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.641 -7.896 5.106 1.00 0.00 C ATOM 1090 SG CYS 1 79 -5.102 -7.274 5.995 1.00 0.00 S ATOM 0 H CYS 1 79 -1.146 -7.531 4.091 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.505 -6.947 6.662 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.610 -7.443 4.115 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.746 -8.971 4.961 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.197 -8.901 7.602 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.590 -10.087 8.224 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.617 -11.159 8.590 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.714 -10.848 9.051 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.064 -9.525 9.489 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.727 -8.306 9.811 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.137 -7.723 8.488 1.00 0.00 C ATOM 0 HA PRO 1 80 0.103 -10.585 7.546 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.031 -10.246 10.306 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.113 -9.283 9.319 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.599 -8.554 10.416 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.133 -7.595 10.385 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.101 -7.218 8.552 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.416 -6.988 8.131 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.243 -12.422 8.386 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.122 -13.556 8.699 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.403 -13.642 10.192 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.317 -14.345 10.620 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.493 -14.889 8.274 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.460 -14.785 7.201 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.882 -14.595 7.362 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.688 -14.886 5.800 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.501 -14.569 6.136 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 0.554 -14.747 5.162 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.829 -15.081 5.028 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 0.687 -14.799 3.782 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -1.700 -15.134 3.653 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -0.448 -14.994 3.041 1.00 0.00 C ATOM 0 H TRP 1 81 -0.336 -12.689 8.005 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.047 -13.384 8.148 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -1.041 -15.356 9.149 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.285 -15.555 7.932 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.383 -14.482 8.312 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.500 -14.439 5.977 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.797 -15.189 5.494 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 1.652 -14.690 3.309 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -2.577 -15.286 3.042 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -0.376 -15.041 1.964 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.575 -12.968 10.977 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.687 -13.007 12.431 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.167 -14.350 12.935 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.550 -14.822 14.006 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.136 -12.800 12.887 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.730 -11.505 12.369 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -3.871 -11.312 11.162 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.084 -10.610 13.283 1.00 0.00 N ATOM 0 H ASN 1 82 -0.814 -12.384 10.631 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.091 -12.195 12.848 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.744 -13.637 12.544 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.174 -12.803 13.976 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -4.491 -9.720 12.995 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.949 -10.812 14.274 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.296 -14.964 12.133 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.284 -16.260 12.458 1.00 0.00 C ATOM 1149 C HIS 1 83 1.684 -16.103 13.044 1.00 0.00 C ATOM 1150 O HIS 1 83 1.794 -15.959 14.280 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.334 -17.129 11.197 1.00 0.00 C ATOM 1152 CG HIS 1 83 -1.016 -17.378 10.604 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.220 -17.600 9.258 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.240 -17.424 11.180 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -2.511 -17.767 9.034 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.151 -17.667 10.183 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.658 -16.125 12.263 1.00 0.00 O ATOM 0 H HIS 1 83 0.023 -14.576 11.245 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.342 -16.742 13.209 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.967 -16.645 10.454 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.800 -18.084 11.439 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.459 -17.294 12.229 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -2.966 -17.954 8.072 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -4.159 -17.756 10.310 1.00 0.00 H new TER 1166 HIS 1 83