USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 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= -2.59! K(o=-9.3!,f=-7) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -6.7! C(o=-9.3!,f=-8!) USER MOD Set 2.1: 1 23 ASN : amide:sc= -0.551 K(o=-0.55,f=0.37) USER MOD Set 2.2: 1 25 GLN : amide:sc=0.000282 K(o=-0.55,f=0.37) USER MOD Single : 1 1 SER N :NH3+ 143:sc= 0.0717 (180deg=0) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= -4.8 K(o=-4.8,f=-2.7!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -4.84 K(o=-4.8,f=-5.4!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 30 ASN : amide:sc= -4.8! K(o=-4.8!,f=-0.79) 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 37 THR OG1 : rot 164:sc= -0.614 USER MOD Single : 1 40 SER OG : rot -168:sc= 1.45 USER MOD Single : 1 41 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : 1 43 ASN : amide:sc= -2.79 K(o=-2.8,f=-1.6) 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+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0272) USER MOD Single : 1 58 THR OG1 : rot 74:sc= 0.711 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+ 173:sc= 0 (180deg=-0.0192) USER MOD Single : 1 76 SER OG : rot 7:sc= 0.297 USER MOD Single : 1 77 SER OG : rot -41:sc= 0.426! USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 10.671 -3.377 -11.743 1.00 0.00 N ATOM 2 CA SER 1 1 11.735 -2.369 -11.993 1.00 0.00 C ATOM 3 C SER 1 1 12.552 -2.104 -10.730 1.00 0.00 C ATOM 4 O SER 1 1 12.158 -2.497 -9.632 1.00 0.00 O ATOM 5 CB SER 1 1 11.076 -1.076 -12.478 1.00 0.00 C ATOM 6 OG SER 1 1 11.090 -0.996 -13.892 1.00 0.00 O ATOM 0 H1 SER 1 1 9.817 -3.121 -12.279 1.00 0.00 H new ATOM 0 H2 SER 1 1 11.003 -4.315 -12.047 1.00 0.00 H new ATOM 0 H3 SER 1 1 10.448 -3.401 -10.728 1.00 0.00 H new ATOM 0 HA SER 1 1 12.419 -2.750 -12.751 1.00 0.00 H new ATOM 0 HB2 SER 1 1 10.048 -1.031 -12.118 1.00 0.00 H new ATOM 0 HB3 SER 1 1 11.599 -0.217 -12.057 1.00 0.00 H new ATOM 0 HG SER 1 1 10.662 -0.162 -14.177 1.00 0.00 H new ATOM 14 N PRO 1 2 13.706 -1.430 -10.871 1.00 0.00 N ATOM 15 CA PRO 1 2 14.580 -1.114 -9.737 1.00 0.00 C ATOM 16 C PRO 1 2 13.991 -0.034 -8.832 1.00 0.00 C ATOM 17 O PRO 1 2 12.983 0.587 -9.169 1.00 0.00 O ATOM 18 CB PRO 1 2 15.860 -0.611 -10.406 1.00 0.00 C ATOM 19 CG PRO 1 2 15.411 -0.070 -11.718 1.00 0.00 C ATOM 20 CD PRO 1 2 14.251 -0.926 -12.147 1.00 0.00 C ATOM 0 HA PRO 1 2 14.732 -1.976 -9.087 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 16.345 0.158 -9.805 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 16.582 -1.417 -10.536 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 15.112 0.974 -11.627 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 16.216 -0.109 -12.452 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 13.510 -0.350 -12.701 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 14.572 -1.741 -12.797 1.00 0.00 H new ATOM 28 N PRO 1 3 14.617 0.204 -7.667 1.00 0.00 N ATOM 29 CA PRO 1 3 14.162 1.210 -6.708 1.00 0.00 C ATOM 30 C PRO 1 3 14.502 2.625 -7.159 1.00 0.00 C ATOM 31 O PRO 1 3 15.573 3.143 -6.843 1.00 0.00 O ATOM 32 CB PRO 1 3 14.924 0.861 -5.416 1.00 0.00 C ATOM 33 CG PRO 1 3 15.650 -0.416 -5.698 1.00 0.00 C ATOM 34 CD PRO 1 3 15.818 -0.482 -7.186 1.00 0.00 C ATOM 0 HA PRO 1 3 13.079 1.195 -6.589 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.621 1.655 -5.147 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.237 0.743 -4.578 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.617 -0.433 -5.196 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.086 -1.274 -5.332 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 16.730 0.016 -7.515 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 15.870 -1.510 -7.544 1.00 0.00 H new ATOM 42 N VAL 1 4 13.592 3.248 -7.907 1.00 0.00 N ATOM 43 CA VAL 1 4 13.813 4.604 -8.401 1.00 0.00 C ATOM 44 C VAL 1 4 12.739 5.578 -7.917 1.00 0.00 C ATOM 45 O VAL 1 4 11.555 5.407 -8.205 1.00 0.00 O ATOM 46 CB VAL 1 4 13.864 4.639 -9.941 1.00 0.00 C ATOM 47 CG1 VAL 1 4 14.822 5.720 -10.415 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.262 3.280 -10.502 1.00 0.00 C ATOM 0 H VAL 1 4 12.700 2.837 -8.182 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.775 4.919 -7.998 1.00 0.00 H new ATOM 0 HB VAL 1 4 12.867 4.876 -10.312 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 14.847 5.732 -11.505 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 14.486 6.690 -10.049 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 15.821 5.514 -10.032 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.291 3.330 -11.590 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 15.247 3.005 -10.125 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.533 2.531 -10.193 1.00 0.00 H new ATOM 58 N CYS 1 5 13.171 6.621 -7.210 1.00 0.00 N ATOM 59 CA CYS 1 5 12.260 7.650 -6.717 1.00 0.00 C ATOM 60 C CYS 1 5 12.224 8.788 -7.726 1.00 0.00 C ATOM 61 O CYS 1 5 13.164 9.576 -7.825 1.00 0.00 O ATOM 62 CB CYS 1 5 12.708 8.154 -5.337 1.00 0.00 C ATOM 63 SG CYS 1 5 12.024 9.776 -4.838 1.00 0.00 S ATOM 0 H CYS 1 5 14.149 6.775 -6.966 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.259 7.233 -6.602 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.426 7.413 -4.589 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.796 8.218 -5.327 1.00 0.00 H new ATOM 68 N GLY 1 6 11.153 8.838 -8.501 1.00 0.00 N ATOM 69 CA GLY 1 6 11.033 9.846 -9.529 1.00 0.00 C ATOM 70 C GLY 1 6 11.145 9.222 -10.902 1.00 0.00 C ATOM 71 O GLY 1 6 11.595 9.856 -11.857 1.00 0.00 O ATOM 0 H GLY 1 6 10.363 8.196 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.076 10.358 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.811 10.598 -9.401 1.00 0.00 H new ATOM 75 N ASN 1 7 10.736 7.959 -10.985 1.00 0.00 N ATOM 76 CA ASN 1 7 10.780 7.201 -12.223 1.00 0.00 C ATOM 77 C ASN 1 7 9.431 6.538 -12.479 1.00 0.00 C ATOM 78 O ASN 1 7 9.279 5.739 -13.402 1.00 0.00 O ATOM 79 CB ASN 1 7 11.877 6.139 -12.136 1.00 0.00 C ATOM 80 CG ASN 1 7 12.234 5.557 -13.491 1.00 0.00 C ATOM 81 OD1 ASN 1 7 11.483 5.695 -14.457 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.387 4.905 -13.571 1.00 0.00 N ATOM 0 H ASN 1 7 10.365 7.435 -10.192 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.000 7.877 -13.049 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.768 6.578 -11.687 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.549 5.337 -11.475 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 13.681 4.495 -14.458 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.980 4.814 -12.746 1.00 0.00 H new ATOM 89 N LYS 1 8 8.453 6.877 -11.642 1.00 0.00 N ATOM 90 CA LYS 1 8 7.112 6.324 -11.753 1.00 0.00 C ATOM 91 C LYS 1 8 7.070 4.883 -11.253 1.00 0.00 C ATOM 92 O LYS 1 8 6.103 4.161 -11.499 1.00 0.00 O ATOM 93 CB LYS 1 8 6.612 6.396 -13.198 1.00 0.00 C ATOM 94 CG LYS 1 8 5.098 6.443 -13.316 1.00 0.00 C ATOM 95 CD LYS 1 8 4.618 5.784 -14.600 1.00 0.00 C ATOM 96 CE LYS 1 8 3.426 6.518 -15.191 1.00 0.00 C ATOM 97 NZ LYS 1 8 3.842 7.536 -16.195 1.00 0.00 N ATOM 0 H LYS 1 8 8.570 7.538 -10.874 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.453 6.925 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.033 7.281 -13.676 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.984 5.530 -13.746 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.649 5.941 -12.459 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 4.762 7.480 -13.290 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 5.431 5.764 -15.326 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 4.345 4.748 -14.399 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 2.753 5.800 -15.660 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 2.866 7.004 -14.392 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 3.000 8.014 -16.574 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 4.463 8.236 -15.742 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 4.354 7.069 -16.971 1.00 0.00 H new ATOM 111 N ILE 1 9 8.118 4.469 -10.545 1.00 0.00 N ATOM 112 CA ILE 1 9 8.188 3.118 -10.008 1.00 0.00 C ATOM 113 C ILE 1 9 8.234 3.147 -8.491 1.00 0.00 C ATOM 114 O ILE 1 9 9.251 3.517 -7.906 1.00 0.00 O ATOM 115 CB ILE 1 9 9.431 2.346 -10.515 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.255 3.207 -11.470 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.020 1.046 -11.182 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.505 2.521 -11.977 1.00 0.00 C ATOM 0 H ILE 1 9 8.928 5.051 -10.332 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.291 2.605 -10.354 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.055 2.106 -9.654 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.634 3.488 -12.321 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.537 4.130 -10.963 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 9.908 0.519 -11.531 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 8.486 0.422 -10.465 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.370 1.262 -12.030 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.040 3.191 -12.650 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.147 2.264 -11.134 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.230 1.613 -12.513 1.00 0.00 H new ATOM 130 N LEU 1 10 7.143 2.741 -7.857 1.00 0.00 N ATOM 131 CA LEU 1 10 7.088 2.704 -6.401 1.00 0.00 C ATOM 132 C LEU 1 10 7.994 1.593 -5.890 1.00 0.00 C ATOM 133 O LEU 1 10 7.535 0.631 -5.273 1.00 0.00 O ATOM 134 CB LEU 1 10 5.652 2.482 -5.915 1.00 0.00 C ATOM 135 CG LEU 1 10 4.791 1.594 -6.815 1.00 0.00 C ATOM 136 CD1 LEU 1 10 3.901 0.687 -5.982 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.957 2.450 -7.757 1.00 0.00 C ATOM 0 H LEU 1 10 6.289 2.434 -8.323 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.431 3.662 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 5.686 2.039 -4.920 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.165 3.452 -5.815 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.450 0.964 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.297 0.064 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 4.520 0.051 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.246 1.294 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 3.349 1.806 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.307 3.104 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 4.617 3.055 -8.379 1.00 0.00 H new ATOM 149 N GLU 1 11 9.286 1.726 -6.172 1.00 0.00 N ATOM 150 CA GLU 1 11 10.263 0.733 -5.768 1.00 0.00 C ATOM 151 C GLU 1 11 11.321 1.340 -4.854 1.00 0.00 C ATOM 152 O GLU 1 11 11.756 0.698 -3.900 1.00 0.00 O ATOM 153 CB GLU 1 11 10.916 0.108 -7.001 1.00 0.00 C ATOM 154 CG GLU 1 11 11.798 -1.087 -6.683 1.00 0.00 C ATOM 155 CD GLU 1 11 11.072 -2.150 -5.880 1.00 0.00 C ATOM 156 OE1 GLU 1 11 10.943 -1.979 -4.650 1.00 0.00 O ATOM 157 OE2 GLU 1 11 10.634 -3.152 -6.482 1.00 0.00 O ATOM 0 H GLU 1 11 9.678 2.518 -6.682 1.00 0.00 H new ATOM 0 HA GLU 1 11 9.746 -0.046 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 10.136 -0.202 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.514 0.865 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 12.161 -1.524 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 12.673 -0.751 -6.126 1.00 0.00 H new ATOM 164 N GLN 1 12 11.739 2.576 -5.143 1.00 0.00 N ATOM 165 CA GLN 1 12 12.752 3.240 -4.316 1.00 0.00 C ATOM 166 C GLN 1 12 12.224 3.544 -2.908 1.00 0.00 C ATOM 167 O GLN 1 12 12.225 4.696 -2.476 1.00 0.00 O ATOM 168 CB GLN 1 12 13.217 4.542 -4.975 1.00 0.00 C ATOM 169 CG GLN 1 12 14.278 5.279 -4.170 1.00 0.00 C ATOM 170 CD GLN 1 12 15.302 5.981 -5.040 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.699 5.472 -6.088 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.738 7.159 -4.608 1.00 0.00 N ATOM 0 H GLN 1 12 11.399 3.130 -5.929 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.594 2.554 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.613 4.318 -5.966 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.357 5.197 -5.116 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 13.793 6.013 -3.526 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.788 4.570 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.382 7.545 -3.733 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 16.428 7.678 -5.151 1.00 0.00 H new ATOM 181 N GLY 1 13 11.781 2.508 -2.190 1.00 0.00 N ATOM 182 CA GLY 1 13 11.265 2.695 -0.840 1.00 0.00 C ATOM 183 C GLY 1 13 10.417 3.946 -0.704 1.00 0.00 C ATOM 184 O GLY 1 13 10.429 4.606 0.335 1.00 0.00 O ATOM 0 H GLY 1 13 11.771 1.543 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.670 1.826 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.100 2.749 -0.141 1.00 0.00 H new ATOM 188 N GLU 1 14 9.693 4.279 -1.767 1.00 0.00 N ATOM 189 CA GLU 1 14 8.847 5.466 -1.780 1.00 0.00 C ATOM 190 C GLU 1 14 7.399 5.121 -1.446 1.00 0.00 C ATOM 191 O GLU 1 14 6.850 5.614 -0.461 1.00 0.00 O ATOM 192 CB GLU 1 14 8.933 6.139 -3.150 1.00 0.00 C ATOM 193 CG GLU 1 14 10.347 6.546 -3.540 1.00 0.00 C ATOM 194 CD GLU 1 14 11.103 7.226 -2.409 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.449 7.826 -1.530 1.00 0.00 O ATOM 196 OE2 GLU 1 14 12.349 7.158 -2.402 1.00 0.00 O ATOM 0 H GLU 1 14 9.675 3.741 -2.634 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.205 6.154 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.538 5.459 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.295 7.023 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 10.899 5.662 -3.858 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.302 7.219 -4.396 1.00 0.00 H new ATOM 203 N ASP 1 15 6.791 4.272 -2.275 1.00 0.00 N ATOM 204 CA ASP 1 15 5.400 3.842 -2.084 1.00 0.00 C ATOM 205 C ASP 1 15 4.421 4.765 -2.804 1.00 0.00 C ATOM 206 O ASP 1 15 3.215 4.692 -2.577 1.00 0.00 O ATOM 207 CB ASP 1 15 5.041 3.774 -0.596 1.00 0.00 C ATOM 208 CG ASP 1 15 4.063 2.657 -0.286 1.00 0.00 C ATOM 209 OD1 ASP 1 15 2.866 2.811 -0.606 1.00 0.00 O ATOM 210 OD2 ASP 1 15 4.495 1.629 0.276 1.00 0.00 O ATOM 0 H ASP 1 15 7.243 3.864 -3.093 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.316 2.845 -2.516 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 5.950 3.629 -0.012 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.611 4.726 -0.285 1.00 0.00 H new ATOM 215 N CYS 1 16 4.944 5.628 -3.673 1.00 0.00 N ATOM 216 CA CYS 1 16 4.118 6.564 -4.434 1.00 0.00 C ATOM 217 C CYS 1 16 4.995 7.608 -5.111 1.00 0.00 C ATOM 218 O CYS 1 16 5.071 8.754 -4.668 1.00 0.00 O ATOM 219 CB CYS 1 16 3.084 7.248 -3.533 1.00 0.00 C ATOM 220 SG CYS 1 16 1.391 6.577 -3.677 1.00 0.00 S ATOM 0 H CYS 1 16 5.943 5.698 -3.869 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.582 5.999 -5.197 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.409 7.160 -2.496 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.061 8.312 -3.770 1.00 0.00 H new ATOM 225 N ASP 1 17 5.664 7.199 -6.182 1.00 0.00 N ATOM 226 CA ASP 1 17 6.547 8.093 -6.917 1.00 0.00 C ATOM 227 C ASP 1 17 6.164 8.165 -8.391 1.00 0.00 C ATOM 228 O ASP 1 17 5.795 7.161 -9.001 1.00 0.00 O ATOM 229 CB ASP 1 17 7.997 7.628 -6.777 1.00 0.00 C ATOM 230 CG ASP 1 17 8.192 6.190 -7.212 1.00 0.00 C ATOM 231 OD1 ASP 1 17 7.789 5.852 -8.345 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.750 5.403 -6.420 1.00 0.00 O ATOM 0 H ASP 1 17 5.611 6.253 -6.560 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.443 9.092 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.641 8.275 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 8.310 7.735 -5.739 1.00 0.00 H new ATOM 237 N CYS 1 18 6.265 9.362 -8.957 1.00 0.00 N ATOM 238 CA CYS 1 18 5.943 9.582 -10.360 1.00 0.00 C ATOM 239 C CYS 1 18 7.218 9.786 -11.171 1.00 0.00 C ATOM 240 O CYS 1 18 8.207 10.318 -10.667 1.00 0.00 O ATOM 241 CB CYS 1 18 5.041 10.808 -10.518 1.00 0.00 C ATOM 242 SG CYS 1 18 3.296 10.528 -10.079 1.00 0.00 S ATOM 0 H CYS 1 18 6.570 10.200 -8.461 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.417 8.701 -10.729 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.433 11.614 -9.897 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 5.092 11.149 -11.552 1.00 0.00 H new ATOM 247 N GLY 1 19 7.190 9.372 -12.430 1.00 0.00 N ATOM 248 CA GLY 1 19 8.351 9.536 -13.286 1.00 0.00 C ATOM 249 C GLY 1 19 8.798 10.982 -13.364 1.00 0.00 C ATOM 250 O GLY 1 19 9.985 11.282 -13.241 1.00 0.00 O ATOM 0 H GLY 1 19 6.387 8.927 -12.874 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.170 8.923 -12.908 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.117 9.174 -14.287 1.00 0.00 H new ATOM 254 N SER 1 20 7.837 11.879 -13.558 1.00 0.00 N ATOM 255 CA SER 1 20 8.122 13.305 -13.642 1.00 0.00 C ATOM 256 C SER 1 20 7.063 14.105 -12.882 1.00 0.00 C ATOM 257 O SER 1 20 5.868 13.943 -13.126 1.00 0.00 O ATOM 258 CB SER 1 20 8.168 13.754 -15.103 1.00 0.00 C ATOM 259 OG SER 1 20 9.458 13.559 -15.657 1.00 0.00 O ATOM 0 H SER 1 20 6.850 11.641 -13.660 1.00 0.00 H new ATOM 0 HA SER 1 20 9.095 13.489 -13.187 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.432 13.195 -15.682 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.895 14.807 -15.172 1.00 0.00 H new ATOM 0 HG SER 1 20 9.460 13.852 -16.592 1.00 0.00 H new ATOM 265 N PRO 1 21 7.480 14.981 -11.948 1.00 0.00 N ATOM 266 CA PRO 1 21 6.548 15.794 -11.164 1.00 0.00 C ATOM 267 C PRO 1 21 5.541 16.528 -12.045 1.00 0.00 C ATOM 268 O PRO 1 21 4.438 16.852 -11.607 1.00 0.00 O ATOM 269 CB PRO 1 21 7.450 16.795 -10.424 1.00 0.00 C ATOM 270 CG PRO 1 21 8.810 16.642 -11.024 1.00 0.00 C ATOM 271 CD PRO 1 21 8.875 15.250 -11.582 1.00 0.00 C ATOM 0 HA PRO 1 21 5.948 15.180 -10.492 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.083 17.814 -10.544 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.469 16.587 -9.354 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.974 17.382 -11.807 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.585 16.796 -10.273 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.538 15.191 -12.445 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.245 14.536 -10.846 1.00 0.00 H new ATOM 279 N ALA 1 22 5.926 16.778 -13.293 1.00 0.00 N ATOM 280 CA ALA 1 22 5.053 17.464 -14.237 1.00 0.00 C ATOM 281 C ALA 1 22 4.132 16.472 -14.938 1.00 0.00 C ATOM 282 O ALA 1 22 3.005 16.806 -15.306 1.00 0.00 O ATOM 283 CB ALA 1 22 5.879 18.234 -15.257 1.00 0.00 C ATOM 0 H ALA 1 22 6.836 16.516 -13.673 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.435 18.171 -13.683 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.214 18.741 -15.956 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.496 18.971 -14.743 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.520 17.542 -15.804 1.00 0.00 H new ATOM 289 N ASN 1 23 4.618 15.246 -15.111 1.00 0.00 N ATOM 290 CA ASN 1 23 3.841 14.195 -15.757 1.00 0.00 C ATOM 291 C ASN 1 23 3.382 13.162 -14.733 1.00 0.00 C ATOM 292 O ASN 1 23 3.082 12.019 -15.079 1.00 0.00 O ATOM 293 CB ASN 1 23 4.668 13.516 -16.851 1.00 0.00 C ATOM 294 CG ASN 1 23 3.802 12.872 -17.915 1.00 0.00 C ATOM 295 OD1 ASN 1 23 2.769 12.275 -17.614 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.221 12.990 -19.170 1.00 0.00 N ATOM 0 H ASN 1 23 5.549 14.956 -14.812 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.961 14.651 -16.212 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.323 14.252 -17.317 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 5.309 12.758 -16.400 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 3.680 12.577 -19.929 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 5.084 13.494 -19.374 1.00 0.00 H new ATOM 303 N CYS 1 24 3.337 13.574 -13.471 1.00 0.00 N ATOM 304 CA CYS 1 24 2.925 12.695 -12.389 1.00 0.00 C ATOM 305 C CYS 1 24 1.482 12.252 -12.569 1.00 0.00 C ATOM 306 O CYS 1 24 0.560 12.850 -12.013 1.00 0.00 O ATOM 307 CB CYS 1 24 3.094 13.401 -11.046 1.00 0.00 C ATOM 308 SG CYS 1 24 2.622 12.386 -9.608 1.00 0.00 S ATOM 0 H CYS 1 24 3.583 14.518 -13.173 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.559 11.809 -12.408 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.135 13.706 -10.936 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.494 14.311 -11.048 1.00 0.00 H new ATOM 313 N GLN 1 25 1.295 11.198 -13.350 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.036 10.664 -13.611 1.00 0.00 C ATOM 315 C GLN 1 25 -0.498 9.755 -12.473 1.00 0.00 C ATOM 316 O GLN 1 25 -0.933 8.626 -12.699 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.050 9.904 -14.938 1.00 0.00 C ATOM 318 CG GLN 1 25 -0.661 10.700 -16.076 1.00 0.00 C ATOM 319 CD GLN 1 25 -0.708 9.921 -17.376 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -1.717 9.296 -17.703 1.00 0.00 O ATOM 321 NE2 GLN 1 25 0.388 9.953 -18.125 1.00 0.00 N ATOM 0 H GLN 1 25 2.050 10.694 -13.816 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.731 11.502 -13.676 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 0.971 9.629 -15.203 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.608 8.976 -14.812 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 -1.672 11.002 -15.801 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.085 11.613 -16.225 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 1.202 10.484 -17.815 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 0.416 9.447 -19.010 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.412 10.263 -11.248 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.831 9.510 -10.076 1.00 0.00 C ATOM 332 C ASP 1 26 -1.411 10.451 -9.028 1.00 0.00 C ATOM 333 O ASP 1 26 -0.679 11.049 -8.240 1.00 0.00 O ATOM 334 CB ASP 1 26 0.349 8.733 -9.489 1.00 0.00 C ATOM 335 CG ASP 1 26 1.064 7.895 -10.531 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.699 8.482 -11.432 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.989 6.651 -10.445 1.00 0.00 O ATOM 0 H ASP 1 26 -0.055 11.196 -11.043 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.600 8.799 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.055 9.433 -9.042 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.008 8.085 -8.688 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.731 10.583 -9.034 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.416 11.458 -8.092 1.00 0.00 C ATOM 344 C ARG 1 27 -3.215 10.994 -6.651 1.00 0.00 C ATOM 345 O ARG 1 27 -3.412 11.764 -5.710 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.907 11.519 -8.422 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.632 10.198 -8.220 1.00 0.00 C ATOM 348 CD ARG 1 27 -5.793 9.445 -9.531 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.022 8.655 -9.562 1.00 0.00 N ATOM 350 CZ ARG 1 27 -7.160 7.474 -8.963 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -6.148 6.943 -8.287 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -8.312 6.822 -9.040 1.00 0.00 N ATOM 0 H ARG 1 27 -3.349 10.095 -9.682 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.985 12.455 -8.185 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.377 12.280 -7.799 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.028 11.835 -9.458 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.078 9.582 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.613 10.383 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.797 10.155 -10.358 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -4.936 8.788 -9.679 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.821 9.030 -10.073 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -5.260 7.440 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -6.259 6.038 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.093 7.225 -9.558 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -8.418 5.917 -8.581 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.822 9.735 -6.481 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.599 9.180 -5.150 1.00 0.00 C ATOM 368 C CYS 1 28 -1.105 9.057 -4.841 1.00 0.00 C ATOM 369 O CYS 1 28 -0.723 8.750 -3.711 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.282 7.817 -5.027 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.101 7.894 -5.126 1.00 0.00 S ATOM 0 H CYS 1 28 -2.652 9.082 -7.246 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.035 9.864 -4.422 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -2.912 7.163 -5.816 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.998 7.363 -4.078 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.264 9.303 -5.844 1.00 0.00 N ATOM 377 CA CYS 1 29 1.183 9.224 -5.669 1.00 0.00 C ATOM 378 C CYS 1 29 1.863 10.464 -6.239 1.00 0.00 C ATOM 379 O CYS 1 29 1.637 10.830 -7.391 1.00 0.00 O ATOM 380 CB CYS 1 29 1.734 7.971 -6.350 1.00 0.00 C ATOM 381 SG CYS 1 29 1.079 6.412 -5.676 1.00 0.00 S ATOM 0 H CYS 1 29 -0.561 9.559 -6.786 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.393 9.170 -4.601 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.506 8.019 -7.415 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.820 7.967 -6.257 1.00 0.00 H new ATOM 386 N ASN 1 30 2.693 11.110 -5.425 1.00 0.00 N ATOM 387 CA ASN 1 30 3.400 12.314 -5.852 1.00 0.00 C ATOM 388 C ASN 1 30 4.903 12.066 -5.956 1.00 0.00 C ATOM 389 O ASN 1 30 5.505 11.463 -5.062 1.00 0.00 O ATOM 390 CB ASN 1 30 3.122 13.461 -4.877 1.00 0.00 C ATOM 391 CG ASN 1 30 3.873 14.729 -5.233 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.895 15.148 -6.390 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.493 15.347 -4.235 1.00 0.00 N ATOM 0 H ASN 1 30 2.893 10.821 -4.467 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.034 12.587 -6.842 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.052 13.669 -4.864 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.399 13.151 -3.869 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.015 16.205 -4.412 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.448 14.963 -3.291 1.00 0.00 H new ATOM 400 N ALA 1 31 5.498 12.543 -7.052 1.00 0.00 N ATOM 401 CA ALA 1 31 6.932 12.388 -7.285 1.00 0.00 C ATOM 402 C ALA 1 31 7.729 13.365 -6.433 1.00 0.00 C ATOM 403 O ALA 1 31 8.770 13.015 -5.877 1.00 0.00 O ATOM 404 CB ALA 1 31 7.255 12.603 -8.755 1.00 0.00 C ATOM 0 H ALA 1 31 5.005 13.041 -7.793 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.212 11.373 -7.003 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.327 12.484 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.716 11.871 -9.357 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.954 13.608 -9.051 1.00 0.00 H new ATOM 410 N ALA 1 32 7.230 14.593 -6.335 1.00 0.00 N ATOM 411 CA ALA 1 32 7.892 15.627 -5.548 1.00 0.00 C ATOM 412 C ALA 1 32 8.126 15.158 -4.115 1.00 0.00 C ATOM 413 O ALA 1 32 8.975 15.696 -3.404 1.00 0.00 O ATOM 414 CB ALA 1 32 7.069 16.906 -5.560 1.00 0.00 C ATOM 0 H ALA 1 32 6.369 14.896 -6.791 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.863 15.829 -6.000 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.575 17.670 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.957 17.257 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.085 16.710 -5.134 1.00 0.00 H new ATOM 420 N THR 1 33 7.367 14.149 -3.699 1.00 0.00 N ATOM 421 CA THR 1 33 7.485 13.601 -2.358 1.00 0.00 C ATOM 422 C THR 1 33 7.850 12.125 -2.412 1.00 0.00 C ATOM 423 O THR 1 33 8.416 11.579 -1.465 1.00 0.00 O ATOM 424 CB THR 1 33 6.161 13.768 -1.607 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.340 13.539 -0.220 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.072 12.827 -2.093 1.00 0.00 C ATOM 0 H THR 1 33 6.661 13.694 -4.277 1.00 0.00 H new ATOM 0 HA THR 1 33 8.274 14.142 -1.835 1.00 0.00 H new ATOM 0 HB THR 1 33 5.845 14.793 -1.801 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.484 13.652 0.243 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.161 12.998 -1.519 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.876 13.012 -3.149 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.397 11.795 -1.960 1.00 0.00 H new ATOM 434 N CYS 1 34 7.486 11.475 -3.513 1.00 0.00 N ATOM 435 CA CYS 1 34 7.736 10.056 -3.672 1.00 0.00 C ATOM 436 C CYS 1 34 6.985 9.305 -2.581 1.00 0.00 C ATOM 437 O CYS 1 34 7.513 8.391 -1.950 1.00 0.00 O ATOM 438 CB CYS 1 34 9.236 9.755 -3.614 1.00 0.00 C ATOM 439 SG CYS 1 34 10.038 9.647 -5.250 1.00 0.00 S ATOM 0 H CYS 1 34 7.017 11.913 -4.306 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.381 9.729 -4.649 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.729 10.532 -3.030 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.387 8.814 -3.085 1.00 0.00 H new ATOM 444 N LYS 1 35 5.742 9.726 -2.363 1.00 0.00 N ATOM 445 CA LYS 1 35 4.885 9.129 -1.345 1.00 0.00 C ATOM 446 C LYS 1 35 3.420 9.443 -1.624 1.00 0.00 C ATOM 447 O LYS 1 35 3.104 10.287 -2.463 1.00 0.00 O ATOM 448 CB LYS 1 35 5.263 9.646 0.045 1.00 0.00 C ATOM 449 CG LYS 1 35 6.729 9.455 0.394 1.00 0.00 C ATOM 450 CD LYS 1 35 7.006 9.816 1.843 1.00 0.00 C ATOM 451 CE LYS 1 35 7.007 11.322 2.051 1.00 0.00 C ATOM 452 NZ LYS 1 35 7.481 11.694 3.413 1.00 0.00 N ATOM 0 H LYS 1 35 5.303 10.486 -2.884 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.029 8.049 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.020 10.707 0.106 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.653 9.136 0.790 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.015 8.419 0.215 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.344 10.073 -0.260 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.251 9.360 2.484 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 7.970 9.405 2.144 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 7.646 11.791 1.303 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 6.000 11.710 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 7.467 12.729 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 6.856 11.267 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 8.451 11.346 3.550 1.00 0.00 H new ATOM 466 N LEU 1 36 2.529 8.756 -0.918 1.00 0.00 N ATOM 467 CA LEU 1 36 1.093 8.955 -1.087 1.00 0.00 C ATOM 468 C LEU 1 36 0.714 10.422 -0.910 1.00 0.00 C ATOM 469 O LEU 1 36 1.079 11.054 0.081 1.00 0.00 O ATOM 470 CB LEU 1 36 0.319 8.093 -0.089 1.00 0.00 C ATOM 471 CG LEU 1 36 0.409 6.585 -0.330 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.442 5.833 0.992 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.757 6.112 -1.185 1.00 0.00 C ATOM 0 H LEU 1 36 2.776 8.054 -0.221 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.830 8.655 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.686 8.308 0.915 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.730 8.388 -0.115 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.335 6.377 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.506 4.762 0.800 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.310 6.151 1.570 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.466 6.047 1.555 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.677 5.037 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.695 6.334 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.735 6.626 -2.146 1.00 0.00 H new ATOM 485 N THR 1 37 -0.024 10.956 -1.878 1.00 0.00 N ATOM 486 CA THR 1 37 -0.458 12.347 -1.833 1.00 0.00 C ATOM 487 C THR 1 37 -1.380 12.588 -0.640 1.00 0.00 C ATOM 488 O THR 1 37 -1.883 11.642 -0.034 1.00 0.00 O ATOM 489 CB THR 1 37 -1.177 12.719 -3.131 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.734 11.568 -3.743 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.274 13.386 -4.146 1.00 0.00 C ATOM 0 H THR 1 37 -0.334 10.445 -2.704 1.00 0.00 H new ATOM 0 HA THR 1 37 0.425 12.976 -1.721 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.953 13.427 -2.839 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.390 11.841 -4.418 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.847 13.623 -5.042 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.134 14.304 -3.723 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.542 12.712 -4.405 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.617 13.863 -0.287 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.487 14.220 0.839 1.00 0.00 C ATOM 501 C PRO 1 38 -3.922 13.751 0.628 1.00 0.00 C ATOM 502 O PRO 1 38 -4.602 14.198 -0.295 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.424 15.752 0.880 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.963 16.157 -0.479 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.063 15.053 -0.954 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.163 13.748 1.766 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.399 16.181 1.110 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.734 16.098 1.650 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.808 16.290 -1.155 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.430 17.107 -0.444 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.084 14.954 -2.039 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.025 15.228 -0.670 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.374 12.844 1.487 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.725 12.325 1.377 1.00 0.00 C ATOM 515 C GLY 1 39 -5.752 10.839 1.079 1.00 0.00 C ATOM 516 O GLY 1 39 -6.693 10.140 1.455 1.00 0.00 O ATOM 0 H GLY 1 39 -3.829 12.459 2.258 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.261 12.516 2.307 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.254 12.860 0.588 1.00 0.00 H new ATOM 520 N SER 1 40 -4.714 10.354 0.404 1.00 0.00 N ATOM 521 CA SER 1 40 -4.620 8.941 0.056 1.00 0.00 C ATOM 522 C SER 1 40 -3.684 8.210 1.013 1.00 0.00 C ATOM 523 O SER 1 40 -2.616 8.713 1.359 1.00 0.00 O ATOM 524 CB SER 1 40 -4.126 8.780 -1.382 1.00 0.00 C ATOM 525 OG SER 1 40 -5.167 9.028 -2.311 1.00 0.00 O ATOM 0 H SER 1 40 -3.926 10.919 0.087 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.614 8.503 0.141 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.300 9.467 -1.565 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.739 7.771 -1.526 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.887 8.734 -3.203 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.094 7.020 1.438 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.294 6.219 2.358 1.00 0.00 C ATOM 533 C GLN 1 41 -2.732 4.982 1.663 1.00 0.00 C ATOM 534 O GLN 1 41 -1.686 4.462 2.051 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.134 5.801 3.565 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.268 6.887 4.619 1.00 0.00 C ATOM 537 CD GLN 1 41 -3.265 6.732 5.746 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -3.617 6.325 6.854 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -2.008 7.056 5.468 1.00 0.00 N ATOM 0 H GLN 1 41 -4.976 6.589 1.160 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.459 6.831 2.698 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.128 5.514 3.223 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.686 4.918 4.020 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -4.134 7.862 4.150 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -5.277 6.867 5.030 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -1.761 7.389 4.536 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -1.289 6.972 6.186 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.435 4.512 0.637 1.00 0.00 N ATOM 549 CA CYS 1 42 -3.005 3.333 -0.107 1.00 0.00 C ATOM 550 C CYS 1 42 -2.710 3.676 -1.564 1.00 0.00 C ATOM 551 O CYS 1 42 -2.997 4.776 -2.035 1.00 0.00 O ATOM 552 CB CYS 1 42 -4.071 2.232 -0.020 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.092 2.007 -1.521 1.00 0.00 S ATOM 0 H CYS 1 42 -4.304 4.929 0.302 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.082 2.967 0.343 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.576 1.288 0.207 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.732 2.455 0.818 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.153 2.703 -2.265 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.820 2.840 -3.676 1.00 0.00 C ATOM 560 C ASN 1 43 -1.389 1.485 -4.231 1.00 0.00 C ATOM 561 O ASN 1 43 -1.656 1.154 -5.387 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.721 3.888 -3.875 1.00 0.00 C ATOM 563 CG ASN 1 43 0.629 3.431 -3.357 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.760 3.026 -2.202 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.641 3.496 -4.213 1.00 0.00 N ATOM 0 H ASN 1 43 -1.917 1.792 -1.872 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.702 3.180 -4.219 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.637 4.123 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -1.007 4.809 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.574 3.203 -3.923 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.486 3.839 -5.161 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.739 0.700 -3.377 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.281 -0.634 -3.734 1.00 0.00 C ATOM 574 C TYR 1 44 -0.165 -1.487 -2.470 1.00 0.00 C ATOM 575 O TYR 1 44 0.317 -1.014 -1.440 1.00 0.00 O ATOM 576 CB TYR 1 44 1.062 -0.561 -4.475 1.00 0.00 C ATOM 577 CG TYR 1 44 2.270 -0.770 -3.589 1.00 0.00 C ATOM 578 CD1 TYR 1 44 2.643 -2.046 -3.188 1.00 0.00 C ATOM 579 CD2 TYR 1 44 3.032 0.305 -3.151 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.739 -2.246 -2.376 1.00 0.00 C ATOM 581 CE2 TYR 1 44 4.132 0.115 -2.338 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.482 -1.163 -1.953 1.00 0.00 C ATOM 583 OH TYR 1 44 5.577 -1.358 -1.143 1.00 0.00 O ATOM 0 H TYR 1 44 -0.516 0.973 -2.420 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.005 -1.097 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 1.070 -1.312 -5.265 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 1.145 0.412 -4.960 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 2.065 -2.896 -3.518 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.760 1.306 -3.451 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 4.015 -3.245 -2.073 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.715 0.961 -2.006 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.990 -0.493 -0.937 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.608 -2.736 -2.547 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.543 -3.614 -1.392 1.00 0.00 C ATOM 595 C GLY 1 45 -1.884 -4.240 -1.051 1.00 0.00 C ATOM 596 O GLY 1 45 -2.931 -3.766 -1.492 1.00 0.00 O ATOM 0 H GLY 1 45 -1.010 -3.156 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 0.183 -4.404 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.182 -3.050 -0.532 1.00 0.00 H new ATOM 600 N GLU 1 46 -1.844 -5.311 -0.265 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.053 -6.024 0.142 1.00 0.00 C ATOM 602 C GLU 1 46 -4.042 -5.108 0.858 1.00 0.00 C ATOM 603 O GLU 1 46 -5.241 -5.133 0.582 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.679 -7.177 1.073 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.415 -8.489 0.354 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.405 -8.348 -0.768 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -0.194 -8.486 -0.497 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -1.826 -8.099 -1.917 1.00 0.00 O ATOM 0 H GLU 1 46 -0.981 -5.708 0.106 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.532 -6.401 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.790 -6.900 1.640 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.483 -7.325 1.794 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.054 -9.226 1.072 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.352 -8.871 -0.052 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.531 -4.320 1.792 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.361 -3.411 2.574 1.00 0.00 C ATOM 617 C CYS 1 47 -4.918 -2.273 1.723 1.00 0.00 C ATOM 618 O CYS 1 47 -5.920 -1.657 2.082 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.545 -2.842 3.733 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.696 -3.785 5.279 1.00 0.00 S ATOM 0 H CYS 1 47 -2.539 -4.291 2.029 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.208 -3.979 2.958 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.495 -2.808 3.442 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.859 -1.814 3.915 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.260 -1.982 0.607 1.00 0.00 N ATOM 626 CA CYS 1 48 -4.692 -0.903 -0.266 1.00 0.00 C ATOM 627 C CYS 1 48 -6.025 -1.210 -0.945 1.00 0.00 C ATOM 628 O CYS 1 48 -6.186 -2.241 -1.598 1.00 0.00 O ATOM 629 CB CYS 1 48 -3.623 -0.631 -1.325 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.124 0.577 -2.589 1.00 0.00 S ATOM 0 H CYS 1 48 -3.428 -2.478 0.288 1.00 0.00 H new ATOM 0 HA CYS 1 48 -4.835 -0.018 0.354 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -2.720 -0.271 -0.831 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -3.366 -1.569 -1.816 1.00 0.00 H new ATOM 635 N ASP 1 49 -6.969 -0.284 -0.793 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.290 -0.414 -1.392 1.00 0.00 C ATOM 637 C ASP 1 49 -8.890 0.966 -1.657 1.00 0.00 C ATOM 638 O ASP 1 49 -9.230 1.694 -0.724 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.214 -1.224 -0.481 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.098 -2.181 -1.258 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -9.628 -2.729 -2.277 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.260 -2.382 -0.847 1.00 0.00 O ATOM 0 H ASP 1 49 -6.839 0.572 -0.254 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.188 -0.941 -2.341 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.613 -1.787 0.233 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.840 -0.543 0.096 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.010 1.322 -2.933 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.563 2.618 -3.321 1.00 0.00 C ATOM 649 C GLN 1 50 -8.667 3.760 -2.845 1.00 0.00 C ATOM 650 O GLN 1 50 -9.149 4.766 -2.324 1.00 0.00 O ATOM 651 CB GLN 1 50 -10.973 2.787 -2.751 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.875 3.660 -3.607 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.338 3.276 -3.493 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.818 2.396 -4.206 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.054 3.938 -2.592 1.00 0.00 N ATOM 0 H GLN 1 50 -8.732 0.732 -3.717 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.613 2.651 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.431 1.804 -2.640 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -10.903 3.220 -1.753 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.753 4.702 -3.311 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.564 3.586 -4.649 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.614 4.661 -2.022 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.044 3.724 -2.470 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.361 3.592 -3.023 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.390 4.603 -2.609 1.00 0.00 C ATOM 666 C CYS 1 51 -6.482 4.873 -1.108 1.00 0.00 C ATOM 667 O CYS 1 51 -6.024 5.909 -0.625 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.592 5.900 -3.392 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.689 5.957 -4.974 1.00 0.00 S ATOM 0 H CYS 1 51 -6.948 2.764 -3.452 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.395 4.215 -2.826 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.656 6.033 -3.587 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.274 6.739 -2.773 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.070 3.930 -0.372 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.213 4.059 1.073 1.00 0.00 C ATOM 676 C ARG 1 52 -7.033 2.702 1.747 1.00 0.00 C ATOM 677 O ARG 1 52 -7.697 1.730 1.388 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.584 4.640 1.424 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.609 6.159 1.460 1.00 0.00 C ATOM 680 CD ARG 1 52 -9.544 6.675 2.542 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.833 6.975 3.783 1.00 0.00 N ATOM 682 CZ ARG 1 52 -9.349 7.692 4.779 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -10.578 8.184 4.684 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -8.635 7.917 5.873 1.00 0.00 N ATOM 0 H ARG 1 52 -7.455 3.067 -0.757 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.441 4.738 1.436 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.315 4.290 0.695 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.894 4.257 2.396 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.602 6.536 1.637 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -8.927 6.542 0.490 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -10.048 7.574 2.187 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -10.317 5.932 2.738 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.885 6.614 3.893 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -11.132 8.013 3.845 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -10.968 8.733 5.450 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.690 7.541 5.952 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -9.030 8.466 6.636 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.126 2.637 2.720 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.860 1.388 3.429 1.00 0.00 C ATOM 700 C PHE 1 53 -7.140 0.785 3.984 1.00 0.00 C ATOM 701 O PHE 1 53 -8.041 1.501 4.420 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.863 1.609 4.570 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.451 1.793 4.101 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.957 1.046 3.045 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.618 2.716 4.713 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.662 1.213 2.606 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.318 2.888 4.279 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.838 2.136 3.223 1.00 0.00 C ATOM 0 H PHE 1 53 -5.566 3.430 3.034 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.430 0.693 2.708 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.165 2.487 5.142 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.904 0.757 5.249 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.595 0.323 2.559 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.989 3.307 5.538 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.291 0.624 1.781 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.677 3.609 4.764 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.178 2.269 2.881 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.207 -0.539 3.972 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.374 -1.238 4.485 1.00 0.00 C ATOM 720 C LYS 1 54 -8.479 -1.042 5.992 1.00 0.00 C ATOM 721 O LYS 1 54 -7.648 -1.540 6.748 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.294 -2.728 4.150 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.070 -3.112 2.900 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.309 -4.125 2.059 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.973 -4.338 0.708 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.982 -5.773 0.313 1.00 0.00 N ATOM 0 H LYS 1 54 -6.470 -1.147 3.614 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.265 -0.825 4.012 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.249 -3.007 4.019 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.674 -3.303 4.995 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.037 -3.527 3.184 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.268 -2.220 2.306 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.285 -3.782 1.912 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.254 -5.074 2.592 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.997 -3.965 0.744 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.448 -3.756 -0.050 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.443 -5.875 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.004 -6.123 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.505 -6.325 1.023 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.498 -0.306 6.424 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.706 -0.035 7.846 1.00 0.00 C ATOM 742 C LYS 1 55 -9.362 -1.255 8.695 1.00 0.00 C ATOM 743 O LYS 1 55 -9.888 -2.350 8.468 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.155 0.384 8.099 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.437 0.751 9.547 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.922 0.975 9.786 1.00 0.00 C ATOM 747 CE LYS 1 55 -13.581 -0.257 10.384 1.00 0.00 C ATOM 748 NZ LYS 1 55 -14.192 -1.124 9.339 1.00 0.00 N ATOM 0 H LYS 1 55 -10.195 0.115 5.810 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.042 0.780 8.133 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.394 1.236 7.463 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.817 -0.430 7.803 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.078 -0.043 10.201 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.885 1.654 9.809 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -13.060 1.824 10.455 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.409 1.229 8.845 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -12.841 -0.829 10.943 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -14.348 0.051 11.094 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -14.717 -1.898 9.794 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -14.843 -0.559 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -13.443 -1.521 8.736 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.466 -1.064 9.665 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.047 -2.152 10.541 1.00 0.00 C ATOM 764 C ALA 1 56 -9.217 -3.064 10.865 1.00 0.00 C ATOM 765 O ALA 1 56 -10.296 -2.601 11.237 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.440 -1.617 11.823 1.00 0.00 C ATOM 0 H ALA 1 56 -8.020 -0.168 9.861 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.288 -2.728 10.012 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.137 -2.450 12.457 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.569 -1.006 11.586 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.177 -1.010 12.349 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.008 -4.354 10.691 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.067 -5.308 10.939 1.00 0.00 C ATOM 774 C GLY 1 57 -10.460 -6.034 9.672 1.00 0.00 C ATOM 775 O GLY 1 57 -11.131 -7.065 9.720 1.00 0.00 O ATOM 0 H GLY 1 57 -8.125 -4.761 10.383 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.741 -6.030 11.688 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.935 -4.792 11.349 1.00 0.00 H new ATOM 779 N THR 1 58 -10.023 -5.501 8.532 1.00 0.00 N ATOM 780 CA THR 1 58 -10.310 -6.115 7.246 1.00 0.00 C ATOM 781 C THR 1 58 -9.425 -7.340 7.046 1.00 0.00 C ATOM 782 O THR 1 58 -8.204 -7.220 6.940 1.00 0.00 O ATOM 783 CB THR 1 58 -10.073 -5.120 6.111 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.892 -3.974 6.265 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.354 -5.709 4.749 1.00 0.00 C ATOM 0 H THR 1 58 -9.470 -4.646 8.478 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.357 -6.418 7.234 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.018 -4.853 6.169 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.546 -3.421 6.996 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.169 -4.957 3.982 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.702 -6.566 4.582 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.395 -6.029 4.699 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.037 -8.516 7.006 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.286 -9.751 6.830 1.00 0.00 C ATOM 795 C VAL 1 59 -8.744 -9.875 5.408 1.00 0.00 C ATOM 796 O VAL 1 59 -9.510 -9.913 4.445 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.146 -10.990 7.149 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.337 -11.076 6.206 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.307 -12.258 7.077 1.00 0.00 C ATOM 0 H VAL 1 59 -11.046 -8.640 7.093 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.452 -9.708 7.530 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.526 -10.890 8.166 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -11.930 -11.958 6.449 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -11.953 -10.183 6.315 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -10.982 -11.149 5.178 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.932 -13.121 7.305 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.894 -12.364 6.074 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.494 -12.198 7.800 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.422 -9.940 5.284 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.787 -10.064 3.971 1.00 0.00 C ATOM 811 C CYS 1 60 -6.307 -11.490 3.710 1.00 0.00 C ATOM 812 O CYS 1 60 -6.143 -11.895 2.559 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.600 -9.108 3.855 1.00 0.00 C ATOM 814 SG CYS 1 60 -5.991 -7.375 4.243 1.00 0.00 S ATOM 0 H CYS 1 60 -6.771 -9.909 6.069 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.540 -9.808 3.226 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.809 -9.448 4.523 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.205 -9.160 2.841 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.067 -12.242 4.778 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.585 -13.618 4.650 1.00 0.00 C ATOM 821 C ARG 1 61 -6.085 -14.498 5.793 1.00 0.00 C ATOM 822 O ARG 1 61 -6.827 -14.047 6.666 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.051 -13.640 4.617 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.468 -14.408 3.441 1.00 0.00 C ATOM 825 CD ARG 1 61 -1.969 -14.625 3.607 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.337 -13.538 4.347 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.179 -12.308 3.870 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.528 -12.023 2.622 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.670 -11.360 4.643 1.00 0.00 N ATOM 0 H ARG 1 61 -6.197 -11.927 5.739 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.978 -14.019 3.716 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.684 -12.614 4.586 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.684 -14.082 5.544 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.969 -15.372 3.350 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.658 -13.861 2.517 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.795 -15.567 4.127 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.505 -14.713 2.625 1.00 0.00 H new ATOM 0 HE ARG 1 61 -0.996 -13.734 5.288 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.920 -12.750 2.023 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.404 -11.077 2.261 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.400 -11.575 5.603 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.548 -10.415 4.278 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.658 -15.755 5.778 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.035 -16.715 6.805 1.00 0.00 C ATOM 845 C ILE 1 62 -5.368 -18.058 6.542 1.00 0.00 C ATOM 846 O ILE 1 62 -5.368 -18.556 5.416 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.563 -16.899 6.888 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.924 -18.001 7.889 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.139 -17.212 5.516 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.471 -17.706 9.302 1.00 0.00 C ATOM 0 H ILE 1 62 -5.044 -16.135 5.057 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.694 -16.318 7.761 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.000 -15.964 7.239 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.005 -18.145 7.885 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.477 -18.939 7.561 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.219 -17.339 5.595 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.919 -16.391 4.833 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.693 -18.131 5.135 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -7.760 -18.529 9.956 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.387 -17.592 9.320 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.939 -16.785 9.649 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.793 -18.631 7.588 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.109 -19.912 7.477 1.00 0.00 C ATOM 864 C ALA 1 63 -5.066 -21.012 7.035 1.00 0.00 C ATOM 865 O ALA 1 63 -5.043 -21.440 5.881 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.437 -20.271 8.794 1.00 0.00 C ATOM 0 H ALA 1 63 -4.786 -18.229 8.525 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.338 -19.820 6.712 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.930 -21.231 8.694 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.709 -19.502 9.053 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.189 -20.338 9.580 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.907 -21.466 7.955 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.873 -22.517 7.647 1.00 0.00 C ATOM 874 C ARG 1 64 -7.797 -22.785 8.830 1.00 0.00 C ATOM 875 O ARG 1 64 -7.717 -23.834 9.469 1.00 0.00 O ATOM 876 CB ARG 1 64 -6.146 -23.803 7.249 1.00 0.00 C ATOM 877 CG ARG 1 64 -6.904 -24.641 6.232 1.00 0.00 C ATOM 878 CD ARG 1 64 -6.999 -23.935 4.889 1.00 0.00 C ATOM 879 NE ARG 1 64 -5.993 -24.416 3.945 1.00 0.00 N ATOM 880 CZ ARG 1 64 -6.051 -24.212 2.631 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -7.065 -23.538 2.102 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -5.094 -24.684 1.844 1.00 0.00 N ATOM 0 H ARG 1 64 -5.942 -21.126 8.916 1.00 0.00 H new ATOM 0 HA ARG 1 64 -7.484 -22.176 6.811 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.169 -23.546 6.840 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.970 -24.402 8.142 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -6.404 -25.601 6.105 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -7.906 -24.850 6.606 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -7.993 -24.088 4.469 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -6.876 -22.862 5.034 1.00 0.00 H new ATOM 0 HE ARG 1 64 -5.199 -24.939 4.315 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -7.804 -23.174 2.703 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -7.105 -23.384 1.094 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -4.313 -25.203 2.246 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -5.138 -24.528 0.837 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.679 -21.833 9.113 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.607 -21.990 10.216 1.00 0.00 C ATOM 898 C GLY 1 65 -9.950 -20.673 10.879 1.00 0.00 C ATOM 899 O GLY 1 65 -10.588 -19.811 10.274 1.00 0.00 O ATOM 0 H GLY 1 65 -8.768 -20.957 8.599 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -10.522 -22.459 9.853 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -9.175 -22.664 10.956 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.525 -20.519 12.126 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.785 -19.300 12.880 1.00 0.00 C ATOM 905 C ASP 1 66 -8.970 -19.281 14.168 1.00 0.00 C ATOM 906 O ASP 1 66 -9.457 -19.663 15.232 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.276 -19.180 13.202 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.800 -20.376 13.971 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.147 -21.441 13.930 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.863 -20.250 14.614 1.00 0.00 O ATOM 0 H ASP 1 66 -8.997 -21.226 12.638 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.487 -18.450 12.267 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.447 -18.274 13.784 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.838 -19.074 12.274 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.723 -18.840 14.058 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.823 -18.774 15.206 1.00 0.00 C ATOM 917 C TRP 1 67 -6.378 -17.339 15.452 1.00 0.00 C ATOM 918 O TRP 1 67 -6.757 -16.714 16.441 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.597 -19.666 14.968 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.525 -20.223 13.578 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.218 -19.546 12.431 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.775 -21.575 13.189 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.273 -20.394 11.356 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.607 -21.648 11.795 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.124 -22.731 13.888 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.777 -22.832 11.086 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.293 -23.909 13.184 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -6.118 -23.952 11.795 1.00 0.00 C ATOM 0 H TRP 1 67 -7.309 -18.521 13.182 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.359 -19.131 16.086 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.694 -19.090 15.167 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.613 -20.490 15.681 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.969 -18.496 12.379 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.094 -20.134 10.386 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.260 -22.706 14.959 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.645 -22.867 10.015 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.564 -24.810 13.714 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -6.255 -24.888 11.273 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.574 -16.831 14.532 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.065 -15.468 14.617 1.00 0.00 C ATOM 941 C ASN 1 68 -5.693 -14.601 13.537 1.00 0.00 C ATOM 942 O ASN 1 68 -5.963 -13.419 13.751 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.545 -15.452 14.455 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.867 -16.610 15.162 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.305 -16.448 16.246 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -2.915 -17.787 14.548 1.00 0.00 N ATOM 0 H ASN 1 68 -5.257 -17.346 13.711 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.325 -15.070 15.598 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.297 -15.484 13.394 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.152 -14.513 14.846 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.475 -18.603 14.974 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.392 -17.875 13.651 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.919 -15.202 12.375 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.513 -14.499 11.249 1.00 0.00 C ATOM 955 C ASP 1 69 -5.633 -13.344 10.796 1.00 0.00 C ATOM 956 O ASP 1 69 -4.938 -12.722 11.600 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.891 -13.965 11.625 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.949 -15.050 11.651 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.921 -15.883 12.581 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.804 -15.068 10.741 1.00 0.00 O ATOM 0 H ASP 1 69 -5.698 -16.180 12.189 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.608 -15.210 10.428 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.838 -13.491 12.605 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.184 -13.193 10.913 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.684 -13.050 9.505 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.911 -11.956 8.941 1.00 0.00 C ATOM 967 C ASP 1 70 -5.780 -10.718 8.843 1.00 0.00 C ATOM 968 O ASP 1 70 -6.867 -10.763 8.270 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.377 -12.342 7.563 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.572 -11.232 6.908 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.902 -10.047 7.123 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.614 -11.549 6.178 1.00 0.00 O ATOM 0 H ASP 1 70 -6.255 -13.556 8.828 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.062 -11.744 9.591 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.752 -13.230 7.657 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.213 -12.608 6.916 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.319 -9.619 9.425 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.102 -8.397 9.412 1.00 0.00 C ATOM 979 C TYR 1 71 -5.280 -7.152 9.144 1.00 0.00 C ATOM 980 O TYR 1 71 -4.138 -7.025 9.587 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.818 -8.243 10.743 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.017 -9.133 10.859 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.162 -8.850 10.142 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.005 -10.251 11.676 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.274 -9.651 10.229 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.110 -11.067 11.774 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.248 -10.765 11.047 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.357 -11.574 11.141 1.00 0.00 O ATOM 0 H TYR 1 71 -4.421 -9.551 9.904 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.811 -8.491 8.589 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.124 -8.468 11.553 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.127 -7.205 10.867 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.184 -7.982 9.500 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.117 -10.486 12.244 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.162 -9.412 9.663 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.089 -11.937 12.414 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.171 -12.313 11.757 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.903 -6.224 8.433 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.281 -4.952 8.106 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.160 -4.087 9.356 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.831 -4.337 10.359 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.110 -4.227 7.048 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.229 -2.865 6.227 1.00 0.00 S ATOM 0 H CYS 1 72 -6.850 -6.332 8.068 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.282 -5.139 7.712 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.429 -4.947 6.294 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.013 -3.833 7.515 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.303 -3.073 9.295 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.101 -2.178 10.430 1.00 0.00 C ATOM 1010 C THR 1 73 -4.431 -0.729 10.066 1.00 0.00 C ATOM 1011 O THR 1 73 -4.177 0.187 10.849 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.658 -2.279 10.925 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.777 -1.604 10.044 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.172 -3.706 11.056 1.00 0.00 C ATOM 0 H THR 1 73 -3.739 -2.850 8.475 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.779 -2.486 11.226 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.657 -1.818 11.913 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.859 -1.679 10.379 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.142 -3.708 11.411 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.802 -4.241 11.767 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.222 -4.198 10.085 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.000 -0.527 8.879 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.357 0.810 8.439 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.210 1.795 8.555 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.429 3.000 8.680 1.00 0.00 O ATOM 0 H GLY 1 74 -5.220 -1.268 8.214 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.691 0.769 7.402 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.199 1.169 9.031 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.984 1.284 8.520 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.802 2.133 8.630 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.810 1.874 7.497 1.00 0.00 C ATOM 1032 O LYS 1 75 0.034 2.720 7.200 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.118 1.911 9.979 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.975 2.321 11.167 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.203 3.204 12.134 1.00 0.00 C ATOM 1036 CE LYS 1 75 -1.783 3.132 13.537 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -1.397 1.873 14.233 1.00 0.00 N ATOM 0 H LYS 1 75 -2.782 0.289 8.417 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.133 3.169 8.554 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.856 0.857 10.076 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.185 2.475 10.002 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.858 2.853 10.813 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.327 1.430 11.688 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -0.158 2.896 12.155 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.224 4.236 11.783 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -1.438 3.988 14.117 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -2.870 3.200 13.485 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -1.711 1.914 15.224 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -1.847 1.063 13.760 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -0.363 1.762 14.202 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.904 0.704 6.869 1.00 0.00 N ATOM 1052 CA SER 1 76 0.001 0.357 5.778 1.00 0.00 C ATOM 1053 C SER 1 76 -0.669 -0.574 4.773 1.00 0.00 C ATOM 1054 O SER 1 76 -1.790 -1.036 4.987 1.00 0.00 O ATOM 1055 CB SER 1 76 1.266 -0.302 6.331 1.00 0.00 C ATOM 1056 OG SER 1 76 2.104 0.651 6.962 1.00 0.00 O ATOM 0 H SER 1 76 -1.592 -0.014 7.095 1.00 0.00 H new ATOM 0 HA SER 1 76 0.268 1.279 5.262 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.993 -1.079 7.045 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.809 -0.789 5.522 1.00 0.00 H new ATOM 0 HG SER 1 76 1.639 1.512 7.013 1.00 0.00 H new ATOM 1062 N SER 1 77 0.035 -0.849 3.678 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.476 -1.731 2.634 1.00 0.00 C ATOM 1064 C SER 1 77 -0.157 -3.193 2.948 1.00 0.00 C ATOM 1065 O SER 1 77 -0.306 -4.066 2.093 1.00 0.00 O ATOM 1066 CB SER 1 77 0.121 -1.349 1.276 1.00 0.00 C ATOM 1067 OG SER 1 77 0.780 -0.096 1.340 1.00 0.00 O ATOM 0 H SER 1 77 0.964 -0.472 3.491 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.559 -1.614 2.595 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.825 -2.117 0.956 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -0.669 -1.309 0.527 1.00 0.00 H new ATOM 0 HG SER 1 77 0.247 0.527 1.877 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.283 -3.455 4.177 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.620 -4.810 4.594 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.417 -5.354 5.571 1.00 0.00 C ATOM 1076 O ASP 1 78 -0.726 -4.722 6.581 1.00 0.00 O ATOM 1077 CB ASP 1 78 2.008 -4.838 5.237 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.121 -3.882 6.409 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.613 -4.217 7.499 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.718 -2.798 6.236 1.00 0.00 O ATOM 0 H ASP 1 78 0.414 -2.746 4.899 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.625 -5.445 3.708 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.229 -5.851 5.575 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 2.758 -4.581 4.488 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.949 -6.531 5.262 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.951 -7.167 6.108 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.347 -8.351 6.865 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.269 -9.458 6.331 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.134 -7.637 5.258 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.735 -6.940 5.776 1.00 0.00 S ATOM 0 H CYS 1 79 -0.702 -7.065 4.429 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.302 -6.435 6.835 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.951 -7.368 4.218 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.191 -8.725 5.301 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.917 -8.142 8.124 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.329 -9.210 8.940 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.266 -10.405 9.052 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.481 -10.237 9.150 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.117 -8.556 10.314 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.928 -7.303 10.288 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.975 -6.867 8.853 1.00 0.00 C ATOM 0 HA PRO 1 80 0.593 -9.597 8.508 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.442 -9.217 11.118 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.937 -8.338 10.487 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.932 -7.480 10.674 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.477 -6.534 10.914 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -1.887 -6.313 8.628 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.137 -6.218 8.600 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.707 -11.613 9.032 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.522 -12.816 9.124 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.243 -13.606 10.400 1.00 0.00 C ATOM 1112 O TRP 1 81 -1.685 -14.743 10.539 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.348 -13.716 7.896 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.032 -13.778 7.307 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.902 -12.751 7.061 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.670 -14.959 6.831 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.046 -13.233 6.476 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.925 -14.587 6.324 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 0.295 -16.300 6.795 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.807 -15.511 5.781 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 1.170 -17.219 6.256 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 2.414 -16.821 5.754 1.00 0.00 C ATOM 0 H TRP 1 81 0.296 -11.781 8.954 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.558 -12.479 9.159 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -1.650 -14.728 8.168 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.035 -13.375 7.122 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.716 -11.713 7.293 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.853 -12.674 6.200 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -0.663 -16.614 7.182 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.768 -15.207 5.394 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 0.891 -18.262 6.221 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 3.078 -17.564 5.336 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.528 -12.987 11.331 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.195 -13.610 12.616 1.00 0.00 C ATOM 1135 C ASN 1 82 0.098 -15.106 12.480 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.251 -15.895 13.358 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.335 -13.396 13.612 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.326 -12.002 14.210 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.305 -11.538 14.716 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.469 -11.328 14.155 1.00 0.00 N ATOM 0 H ASN 1 82 -0.161 -12.042 11.222 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.713 -13.130 12.981 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.288 -13.568 13.112 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -1.258 -14.132 14.412 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.525 -10.386 14.542 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.291 -11.752 13.726 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.743 -15.492 11.383 1.00 0.00 N ATOM 1148 CA HIS 1 83 1.078 -16.895 11.153 1.00 0.00 C ATOM 1149 C HIS 1 83 2.528 -17.043 10.705 1.00 0.00 C ATOM 1150 O HIS 1 83 3.343 -16.156 11.037 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.144 -17.505 10.107 1.00 0.00 C ATOM 1152 CG HIS 1 83 -1.303 -17.320 10.429 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -2.258 -17.032 9.477 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.956 -17.359 11.614 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -3.434 -16.899 10.064 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.278 -17.093 11.360 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.838 -18.045 10.026 1.00 0.00 O ATOM 0 H HIS 1 83 1.043 -14.858 10.643 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.951 -17.428 12.095 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.354 -17.056 9.136 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.356 -18.570 10.018 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.084 -16.937 8.477 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.518 -17.562 12.580 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -4.365 -16.670 9.567 1.00 0.00 H new TER 1166 HIS 1 83