USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 68 ASN :FLIP amide:sc= -0.512 F(o=-8.5,f=-5.6) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -5.1 K(o=-5.6,f=-7.8!) USER MOD Set 2.1: 1 30 ASN :FLIP amide:sc= -1.99! C(o=-8.2!,f=-5.6!) USER MOD Set 2.2: 1 33 THR OG1 : rot -130:sc= -3.61! USER MOD Set 3.1: 1 20 SER OG : rot 11:sc= 1.26 USER MOD Set 3.2: 1 23 ASN : amide:sc= -1.91 K(o=-0.65,f=-4.5!) USER MOD Single : 1 1 SER N :NH3+ 139:sc= 0.0639 (180deg=0) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.84) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -6.75! C(o=-6.8!,f=-15!) USER MOD Single : 1 25 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -49:sc= -3.19! USER MOD Single : 1 40 SER OG : rot 180:sc=-0.00439 USER MOD Single : 1 41 GLN : amide:sc= -0.863 K(o=-0.86,f=-5.1!) USER MOD Single : 1 43 ASN : amide:sc= -5.21 K(o=-5.2,f=-9!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.9!) USER MOD Single : 1 54 LYS NZ :NH3+ -120:sc= 2.41 (180deg=-0.331) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 76:sc= 0.876 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+ -154:sc= -0.173 (180deg=-1.3!) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 -3.888 18.602 20.650 1.00 0.00 N ATOM 2 CA SER 1 1 -3.900 17.282 19.965 1.00 0.00 C ATOM 3 C SER 1 1 -2.822 17.210 18.887 1.00 0.00 C ATOM 4 O SER 1 1 -2.370 18.237 18.380 1.00 0.00 O ATOM 5 CB SER 1 1 -5.282 17.067 19.346 1.00 0.00 C ATOM 6 OG SER 1 1 -5.575 18.071 18.390 1.00 0.00 O ATOM 0 H1 SER 1 1 -4.865 18.921 20.806 1.00 0.00 H new ATOM 0 H2 SER 1 1 -3.403 18.514 21.566 1.00 0.00 H new ATOM 0 H3 SER 1 1 -3.387 19.296 20.058 1.00 0.00 H new ATOM 0 HA SER 1 1 -3.688 16.499 20.693 1.00 0.00 H new ATOM 0 HB2 SER 1 1 -5.323 16.086 18.872 1.00 0.00 H new ATOM 0 HB3 SER 1 1 -6.040 17.074 20.129 1.00 0.00 H new ATOM 0 HG SER 1 1 -6.463 17.910 18.008 1.00 0.00 H new ATOM 14 N PRO 1 2 -2.395 15.990 18.519 1.00 0.00 N ATOM 15 CA PRO 1 2 -1.364 15.788 17.494 1.00 0.00 C ATOM 16 C PRO 1 2 -1.684 16.534 16.199 1.00 0.00 C ATOM 17 O PRO 1 2 -2.805 16.462 15.696 1.00 0.00 O ATOM 18 CB PRO 1 2 -1.393 14.277 17.260 1.00 0.00 C ATOM 19 CG PRO 1 2 -1.900 13.707 18.538 1.00 0.00 C ATOM 20 CD PRO 1 2 -2.882 14.712 19.073 1.00 0.00 C ATOM 0 HA PRO 1 2 -0.392 16.166 17.809 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 -2.044 14.018 16.425 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 -0.401 13.894 17.021 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 -2.379 12.742 18.373 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 -1.085 13.542 19.243 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 -3.899 14.494 18.747 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 -2.892 14.724 20.163 1.00 0.00 H new ATOM 28 N PRO 1 3 -0.704 17.269 15.642 1.00 0.00 N ATOM 29 CA PRO 1 3 -0.893 18.030 14.411 1.00 0.00 C ATOM 30 C PRO 1 3 -0.636 17.218 13.164 1.00 0.00 C ATOM 31 O PRO 1 3 0.403 16.572 13.023 1.00 0.00 O ATOM 32 CB PRO 1 3 0.140 19.142 14.552 1.00 0.00 C ATOM 33 CG PRO 1 3 1.267 18.512 15.303 1.00 0.00 C ATOM 34 CD PRO 1 3 0.664 17.430 16.172 1.00 0.00 C ATOM 0 HA PRO 1 3 -1.920 18.376 14.295 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 0.467 19.506 13.578 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 -0.268 19.997 15.092 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 2.002 18.091 14.616 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 1.787 19.252 15.912 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 1.230 16.501 16.104 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 0.654 17.721 17.222 1.00 0.00 H new ATOM 42 N VAL 1 4 -1.596 17.271 12.251 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.503 16.570 11.003 1.00 0.00 C ATOM 44 C VAL 1 4 -0.219 16.962 10.288 1.00 0.00 C ATOM 45 O VAL 1 4 -0.175 17.959 9.566 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.720 16.864 10.096 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -3.157 15.606 9.375 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -3.890 17.442 10.884 1.00 0.00 C ATOM 0 H VAL 1 4 -2.457 17.805 12.366 1.00 0.00 H new ATOM 0 HA VAL 1 4 -1.494 15.501 11.216 1.00 0.00 H new ATOM 0 HB VAL 1 4 -2.407 17.611 9.366 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -4.015 15.830 8.741 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.337 15.236 8.760 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -3.434 14.846 10.105 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.724 17.634 10.209 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -4.199 16.731 11.650 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -3.584 18.375 11.357 1.00 0.00 H new ATOM 58 N CYS 1 5 0.831 16.182 10.510 1.00 0.00 N ATOM 59 CA CYS 1 5 2.126 16.469 9.897 1.00 0.00 C ATOM 60 C CYS 1 5 2.030 16.282 8.389 1.00 0.00 C ATOM 61 O CYS 1 5 2.116 15.164 7.880 1.00 0.00 O ATOM 62 CB CYS 1 5 3.228 15.549 10.457 1.00 0.00 C ATOM 63 SG CYS 1 5 3.020 15.056 12.205 1.00 0.00 S ATOM 0 H CYS 1 5 0.815 15.353 11.104 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.390 17.501 10.131 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.272 14.648 9.845 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.188 16.053 10.351 1.00 0.00 H new ATOM 68 N GLY 1 6 1.830 17.392 7.683 1.00 0.00 N ATOM 69 CA GLY 1 6 1.696 17.348 6.240 1.00 0.00 C ATOM 70 C GLY 1 6 0.246 17.203 5.808 1.00 0.00 C ATOM 71 O GLY 1 6 -0.034 16.821 4.672 1.00 0.00 O ATOM 0 H GLY 1 6 1.758 18.325 8.089 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.114 18.258 5.809 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.277 16.513 5.847 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.677 17.504 6.723 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.108 17.400 6.445 1.00 0.00 C ATOM 77 C ASN 1 7 -2.484 15.960 6.121 1.00 0.00 C ATOM 78 O ASN 1 7 -1.749 15.262 5.424 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.504 18.310 5.279 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.014 19.660 5.745 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -3.734 19.755 6.739 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -2.641 20.713 5.027 1.00 0.00 N ATOM 0 H ASN 1 7 -0.456 17.823 7.666 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.647 17.719 7.337 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.643 18.456 4.627 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.275 17.819 4.684 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -2.952 21.647 5.292 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -2.043 20.587 4.210 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.631 15.515 6.630 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.093 14.151 6.389 1.00 0.00 C ATOM 91 C LYS 1 8 -3.977 13.816 4.912 1.00 0.00 C ATOM 92 O LYS 1 8 -4.724 14.349 4.092 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.541 13.987 6.854 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.862 12.591 7.364 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.840 11.569 6.239 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.602 10.309 6.617 1.00 0.00 C ATOM 97 NZ LYS 1 8 -8.070 10.470 6.429 1.00 0.00 N ATOM 0 H LYS 1 8 -4.255 16.077 7.209 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.466 13.465 6.959 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.744 14.709 7.645 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.209 14.225 6.026 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -5.140 12.307 8.129 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.844 12.592 7.837 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -6.278 12.005 5.341 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.808 11.313 5.998 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -6.248 9.475 6.011 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -6.395 10.058 7.657 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -8.553 9.589 6.698 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -8.413 11.249 7.026 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -8.271 10.684 5.431 1.00 0.00 H new ATOM 111 N ILE 1 9 -3.022 12.954 4.566 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.825 12.600 3.154 1.00 0.00 C ATOM 113 C ILE 1 9 -4.146 12.294 2.474 1.00 0.00 C ATOM 114 O ILE 1 9 -5.020 11.639 3.042 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.866 11.411 2.919 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.433 10.107 3.503 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.488 11.727 3.466 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -1.748 9.630 4.763 1.00 0.00 C ATOM 0 H ILE 1 9 -2.387 12.497 5.220 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.360 13.484 2.717 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.769 11.255 1.845 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -3.493 10.250 3.713 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.360 9.325 2.748 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.175 10.880 3.293 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.090 12.608 2.963 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.557 11.921 4.536 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.214 8.705 5.103 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -0.693 9.451 4.558 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -1.843 10.390 5.539 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.281 12.779 1.255 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.491 12.569 0.485 1.00 0.00 C ATOM 132 C LEU 1 10 -5.280 11.506 -0.585 1.00 0.00 C ATOM 133 O LEU 1 10 -6.119 11.322 -1.466 1.00 0.00 O ATOM 134 CB LEU 1 10 -5.946 13.891 -0.144 1.00 0.00 C ATOM 135 CG LEU 1 10 -4.861 14.689 -0.885 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.046 15.523 0.092 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -3.953 13.772 -1.696 1.00 0.00 C ATOM 0 H LEU 1 10 -3.564 13.323 0.775 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.272 12.212 1.156 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.755 13.679 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.361 14.522 0.642 1.00 0.00 H new ATOM 0 HG LEU 1 10 -5.361 15.362 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -3.284 16.080 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -4.703 16.220 0.611 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.566 14.867 0.818 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.197 14.368 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.465 13.061 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -4.547 13.230 -2.432 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.150 10.813 -0.495 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.811 9.764 -1.455 1.00 0.00 C ATOM 151 C GLU 1 11 -2.423 9.177 -1.198 1.00 0.00 C ATOM 152 O GLU 1 11 -1.718 8.821 -2.142 1.00 0.00 O ATOM 153 CB GLU 1 11 -3.851 10.327 -2.874 1.00 0.00 C ATOM 154 CG GLU 1 11 -2.769 11.362 -3.141 1.00 0.00 C ATOM 155 CD GLU 1 11 -1.744 10.890 -4.154 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -2.097 10.053 -5.011 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -0.587 11.357 -4.090 1.00 0.00 O ATOM 0 H GLU 1 11 -3.451 10.958 0.234 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.547 8.969 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.744 9.508 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -4.827 10.778 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -3.232 12.281 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.264 11.604 -2.205 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.021 9.077 0.065 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.704 8.533 0.383 1.00 0.00 C ATOM 166 C GLN 1 12 -0.783 7.385 1.398 1.00 0.00 C ATOM 167 O GLN 1 12 -0.930 6.224 1.016 1.00 0.00 O ATOM 168 CB GLN 1 12 0.228 9.641 0.893 1.00 0.00 C ATOM 169 CG GLN 1 12 0.163 10.932 0.089 1.00 0.00 C ATOM 170 CD GLN 1 12 0.569 10.749 -1.361 1.00 0.00 C ATOM 171 OE1 GLN 1 12 0.588 9.633 -1.878 1.00 0.00 O ATOM 172 NE2 GLN 1 12 0.898 11.851 -2.025 1.00 0.00 N ATOM 0 H GLN 1 12 -2.576 9.360 0.873 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.292 8.122 -0.539 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.021 9.860 1.931 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.253 9.271 0.882 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -0.852 11.328 0.129 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.813 11.675 0.552 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 0.868 12.757 -1.557 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 1.181 11.792 -3.003 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.655 7.706 2.684 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.683 6.683 3.716 1.00 0.00 C ATOM 183 C GLY 1 13 0.695 6.087 3.943 1.00 0.00 C ATOM 184 O GLY 1 13 0.837 5.043 4.579 1.00 0.00 O ATOM 0 H GLY 1 13 -0.532 8.658 3.030 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -1.053 7.113 4.647 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.379 5.895 3.430 1.00 0.00 H new ATOM 188 N GLU 1 14 1.705 6.769 3.402 1.00 0.00 N ATOM 189 CA GLU 1 14 3.107 6.357 3.496 1.00 0.00 C ATOM 190 C GLU 1 14 3.909 7.025 2.390 1.00 0.00 C ATOM 191 O GLU 1 14 5.127 7.173 2.491 1.00 0.00 O ATOM 192 CB GLU 1 14 3.258 4.835 3.391 1.00 0.00 C ATOM 193 CG GLU 1 14 3.794 4.188 4.658 1.00 0.00 C ATOM 194 CD GLU 1 14 2.781 3.278 5.326 1.00 0.00 C ATOM 195 OE1 GLU 1 14 2.071 2.548 4.602 1.00 0.00 O ATOM 196 OE2 GLU 1 14 2.698 3.296 6.572 1.00 0.00 O ATOM 0 H GLU 1 14 1.571 7.635 2.879 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.483 6.666 4.471 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.289 4.398 3.152 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.927 4.601 2.563 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.688 3.614 4.417 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 4.094 4.967 5.359 1.00 0.00 H new ATOM 203 N ASP 1 15 3.213 7.436 1.333 1.00 0.00 N ATOM 204 CA ASP 1 15 3.852 8.096 0.210 1.00 0.00 C ATOM 205 C ASP 1 15 4.564 9.357 0.672 1.00 0.00 C ATOM 206 O ASP 1 15 5.727 9.582 0.337 1.00 0.00 O ATOM 207 CB ASP 1 15 2.810 8.444 -0.852 1.00 0.00 C ATOM 208 CG ASP 1 15 3.257 8.065 -2.250 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.955 8.879 -2.890 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.910 6.955 -2.705 1.00 0.00 O ATOM 0 H ASP 1 15 2.204 7.321 1.236 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.588 7.418 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.876 7.932 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.604 9.514 -0.817 1.00 0.00 H new ATOM 215 N CYS 1 16 3.856 10.177 1.446 1.00 0.00 N ATOM 216 CA CYS 1 16 4.416 11.420 1.959 1.00 0.00 C ATOM 217 C CYS 1 16 3.323 12.311 2.551 1.00 0.00 C ATOM 218 O CYS 1 16 2.157 12.223 2.171 1.00 0.00 O ATOM 219 CB CYS 1 16 5.172 12.153 0.841 1.00 0.00 C ATOM 220 SG CYS 1 16 5.211 13.973 0.996 1.00 0.00 S ATOM 0 H CYS 1 16 2.893 10.000 1.730 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.117 11.182 2.759 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.197 11.784 0.815 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.716 11.895 -0.115 1.00 0.00 H new ATOM 225 N ASP 1 17 3.722 13.169 3.482 1.00 0.00 N ATOM 226 CA ASP 1 17 2.804 14.088 4.137 1.00 0.00 C ATOM 227 C ASP 1 17 1.685 13.333 4.838 1.00 0.00 C ATOM 228 O ASP 1 17 0.542 13.787 4.847 1.00 0.00 O ATOM 229 CB ASP 1 17 2.217 15.067 3.119 1.00 0.00 C ATOM 230 CG ASP 1 17 3.113 16.268 2.888 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.645 16.812 3.878 1.00 0.00 O ATOM 232 OD2 ASP 1 17 3.284 16.665 1.716 1.00 0.00 O ATOM 0 H ASP 1 17 4.687 13.246 3.802 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.363 14.647 4.887 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.056 14.550 2.173 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.241 15.407 3.467 1.00 0.00 H new ATOM 237 N CYS 1 18 2.025 12.177 5.422 1.00 0.00 N ATOM 238 CA CYS 1 18 1.047 11.342 6.126 1.00 0.00 C ATOM 239 C CYS 1 18 -0.013 12.181 6.818 1.00 0.00 C ATOM 240 O CYS 1 18 -1.182 11.804 6.858 1.00 0.00 O ATOM 241 CB CYS 1 18 1.726 10.442 7.160 1.00 0.00 C ATOM 242 SG CYS 1 18 1.256 8.688 7.017 1.00 0.00 S ATOM 0 H CYS 1 18 2.972 11.799 5.420 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.567 10.722 5.369 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.807 10.530 7.053 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.475 10.797 8.160 1.00 0.00 H new ATOM 247 N GLY 1 19 0.399 13.316 7.360 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.538 14.174 8.043 1.00 0.00 C ATOM 249 C GLY 1 19 -1.095 13.525 9.281 1.00 0.00 C ATOM 250 O GLY 1 19 -0.830 13.978 10.389 1.00 0.00 O ATOM 0 H GLY 1 19 1.361 13.655 7.338 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 -0.045 15.108 8.313 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.355 14.429 7.368 1.00 0.00 H new ATOM 254 N SER 1 20 -1.865 12.457 9.101 1.00 0.00 N ATOM 255 CA SER 1 20 -2.460 11.767 10.228 1.00 0.00 C ATOM 256 C SER 1 20 -1.402 11.443 11.270 1.00 0.00 C ATOM 257 O SER 1 20 -0.597 10.526 11.107 1.00 0.00 O ATOM 258 CB SER 1 20 -3.173 10.502 9.774 1.00 0.00 C ATOM 259 OG SER 1 20 -2.250 9.494 9.400 1.00 0.00 O ATOM 0 H SER 1 20 -2.088 12.056 8.190 1.00 0.00 H new ATOM 0 HA SER 1 20 -3.200 12.427 10.681 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.811 10.134 10.578 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.824 10.732 8.931 1.00 0.00 H new ATOM 0 HG SER 1 20 -1.348 9.757 9.678 1.00 0.00 H new ATOM 265 N PRO 1 21 -1.390 12.232 12.349 1.00 0.00 N ATOM 266 CA PRO 1 21 -0.425 12.086 13.437 1.00 0.00 C ATOM 267 C PRO 1 21 -0.393 10.677 14.006 1.00 0.00 C ATOM 268 O PRO 1 21 0.636 10.227 14.510 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.909 13.090 14.483 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.667 14.107 13.701 1.00 0.00 C ATOM 271 CD PRO 1 21 -2.316 13.353 12.576 1.00 0.00 C ATOM 0 HA PRO 1 21 0.596 12.268 13.101 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -1.542 12.611 15.230 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 -0.073 13.542 15.016 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.413 14.602 14.322 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -1.003 14.883 13.321 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -3.313 13.004 12.846 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -2.425 13.972 11.686 1.00 0.00 H new ATOM 279 N ALA 1 22 -1.514 9.971 13.907 1.00 0.00 N ATOM 280 CA ALA 1 22 -1.586 8.602 14.399 1.00 0.00 C ATOM 281 C ALA 1 22 -0.466 7.765 13.787 1.00 0.00 C ATOM 282 O ALA 1 22 -0.047 6.755 14.353 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.943 7.993 14.079 1.00 0.00 C ATOM 0 H ALA 1 22 -2.378 10.321 13.494 1.00 0.00 H new ATOM 0 HA ALA 1 22 -1.462 8.612 15.482 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.980 6.970 14.453 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -3.727 8.582 14.554 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -3.095 7.990 13.000 1.00 0.00 H new ATOM 289 N ASN 1 23 0.015 8.204 12.625 1.00 0.00 N ATOM 290 CA ASN 1 23 1.087 7.514 11.922 1.00 0.00 C ATOM 291 C ASN 1 23 2.335 8.398 11.803 1.00 0.00 C ATOM 292 O ASN 1 23 3.415 7.912 11.469 1.00 0.00 O ATOM 293 CB ASN 1 23 0.608 7.091 10.533 1.00 0.00 C ATOM 294 CG ASN 1 23 -0.733 6.385 10.574 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -0.801 5.156 10.553 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -1.809 7.161 10.633 1.00 0.00 N ATOM 0 H ASN 1 23 -0.326 9.040 12.151 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.357 6.629 12.498 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.533 7.971 9.894 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.349 6.431 10.081 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -2.739 6.742 10.663 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -1.706 8.176 10.648 1.00 0.00 H new ATOM 303 N CYS 1 24 2.180 9.696 12.078 1.00 0.00 N ATOM 304 CA CYS 1 24 3.295 10.643 12.003 1.00 0.00 C ATOM 305 C CYS 1 24 4.478 10.157 12.835 1.00 0.00 C ATOM 306 O CYS 1 24 4.575 10.448 14.028 1.00 0.00 O ATOM 307 CB CYS 1 24 2.839 12.030 12.478 1.00 0.00 C ATOM 308 SG CYS 1 24 4.107 13.341 12.378 1.00 0.00 S ATOM 0 H CYS 1 24 1.292 10.115 12.355 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.619 10.714 10.965 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 1.977 12.334 11.885 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.502 11.950 13.512 1.00 0.00 H new ATOM 313 N GLN 1 25 5.372 9.409 12.194 1.00 0.00 N ATOM 314 CA GLN 1 25 6.549 8.871 12.866 1.00 0.00 C ATOM 315 C GLN 1 25 6.145 7.901 13.973 1.00 0.00 C ATOM 316 O GLN 1 25 6.355 8.171 15.156 1.00 0.00 O ATOM 317 CB GLN 1 25 7.398 10.005 13.444 1.00 0.00 C ATOM 318 CG GLN 1 25 8.443 10.536 12.477 1.00 0.00 C ATOM 319 CD GLN 1 25 9.324 11.603 13.097 1.00 0.00 C ATOM 320 OE1 GLN 1 25 10.507 11.378 13.352 1.00 0.00 O ATOM 321 NE2 GLN 1 25 8.748 12.775 13.345 1.00 0.00 N ATOM 0 H GLN 1 25 5.302 9.162 11.207 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.141 8.327 12.130 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 6.742 10.823 13.742 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 7.897 9.651 14.346 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 9.066 9.711 12.133 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 7.944 10.947 11.599 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 7.764 12.918 13.117 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 9.290 13.531 13.763 1.00 0.00 H new ATOM 330 N ASP 1 26 5.562 6.770 13.582 1.00 0.00 N ATOM 331 CA ASP 1 26 5.130 5.765 14.546 1.00 0.00 C ATOM 332 C ASP 1 26 4.681 4.482 13.851 1.00 0.00 C ATOM 333 O ASP 1 26 5.337 3.446 13.959 1.00 0.00 O ATOM 334 CB ASP 1 26 3.991 6.316 15.408 1.00 0.00 C ATOM 335 CG ASP 1 26 4.487 6.904 16.714 1.00 0.00 C ATOM 336 OD1 ASP 1 26 5.484 6.384 17.258 1.00 0.00 O ATOM 337 OD2 ASP 1 26 3.878 7.883 17.194 1.00 0.00 O ATOM 0 H ASP 1 26 5.379 6.529 12.608 1.00 0.00 H new ATOM 0 HA ASP 1 26 5.982 5.525 15.182 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 3.454 7.082 14.849 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.280 5.517 15.619 1.00 0.00 H new ATOM 342 N ARG 1 27 3.553 4.552 13.149 1.00 0.00 N ATOM 343 CA ARG 1 27 3.014 3.389 12.450 1.00 0.00 C ATOM 344 C ARG 1 27 4.014 2.831 11.439 1.00 0.00 C ATOM 345 O ARG 1 27 4.797 1.937 11.760 1.00 0.00 O ATOM 346 CB ARG 1 27 1.692 3.745 11.760 1.00 0.00 C ATOM 347 CG ARG 1 27 0.467 3.197 12.476 1.00 0.00 C ATOM 348 CD ARG 1 27 -0.315 4.299 13.171 1.00 0.00 C ATOM 349 NE ARG 1 27 -1.757 4.076 13.101 1.00 0.00 N ATOM 350 CZ ARG 1 27 -2.383 3.077 13.719 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -1.699 2.208 14.454 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -3.697 2.946 13.603 1.00 0.00 N ATOM 0 H ARG 1 27 2.995 5.400 13.049 1.00 0.00 H new ATOM 0 HA ARG 1 27 2.825 2.612 13.191 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.608 4.830 11.691 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 1.709 3.361 10.740 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -0.178 2.690 11.758 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 0.776 2.452 13.209 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -0.008 4.358 14.215 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -0.074 5.258 12.713 1.00 0.00 H new ATOM 0 HE ARG 1 27 -2.317 4.724 12.546 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -0.688 2.304 14.548 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -2.185 1.445 14.925 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -4.228 3.611 13.040 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -4.177 2.181 14.076 1.00 0.00 H new ATOM 366 N CYS 1 28 3.982 3.354 10.218 1.00 0.00 N ATOM 367 CA CYS 1 28 4.885 2.898 9.169 1.00 0.00 C ATOM 368 C CYS 1 28 5.007 3.949 8.072 1.00 0.00 C ATOM 369 O CYS 1 28 5.242 3.622 6.908 1.00 0.00 O ATOM 370 CB CYS 1 28 4.389 1.574 8.579 1.00 0.00 C ATOM 371 SG CYS 1 28 5.580 0.202 8.723 1.00 0.00 S ATOM 0 H CYS 1 28 3.341 4.093 9.931 1.00 0.00 H new ATOM 0 HA CYS 1 28 5.870 2.740 9.608 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 3.463 1.291 9.079 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 4.150 1.725 7.526 1.00 0.00 H new ATOM 376 N CYS 1 29 4.846 5.211 8.450 1.00 0.00 N ATOM 377 CA CYS 1 29 4.938 6.307 7.492 1.00 0.00 C ATOM 378 C CYS 1 29 5.648 7.509 8.087 1.00 0.00 C ATOM 379 O CYS 1 29 5.805 7.624 9.302 1.00 0.00 O ATOM 380 CB CYS 1 29 3.546 6.714 7.007 1.00 0.00 C ATOM 381 SG CYS 1 29 2.597 7.723 8.191 1.00 0.00 S ATOM 0 H CYS 1 29 4.652 5.501 9.409 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.524 5.952 6.644 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.648 7.270 6.075 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.977 5.813 6.779 1.00 0.00 H new ATOM 386 N ASN 1 30 6.065 8.404 7.208 1.00 0.00 N ATOM 387 CA ASN 1 30 6.754 9.613 7.609 1.00 0.00 C ATOM 388 C ASN 1 30 5.901 10.831 7.313 1.00 0.00 C ATOM 389 O ASN 1 30 6.007 11.443 6.250 1.00 0.00 O ATOM 390 CB ASN 1 30 8.095 9.717 6.891 1.00 0.00 C ATOM 391 CG ASN 1 30 9.183 8.912 7.574 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.266 9.026 8.894 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 9.942 8.195 6.921 1.00 0.00 N flip ATOM 0 H ASN 1 30 5.935 8.311 6.201 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.935 9.571 8.683 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 7.981 9.370 5.864 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.397 10.763 6.843 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.843 8.137 5.908 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.670 7.659 7.394 1.00 0.00 H new ATOM 400 N ALA 1 31 5.071 11.184 8.278 1.00 0.00 N ATOM 401 CA ALA 1 31 4.206 12.346 8.153 1.00 0.00 C ATOM 402 C ALA 1 31 5.030 13.605 8.365 1.00 0.00 C ATOM 403 O ALA 1 31 4.679 14.687 7.895 1.00 0.00 O ATOM 404 CB ALA 1 31 3.056 12.270 9.151 1.00 0.00 C ATOM 0 H ALA 1 31 4.977 10.681 9.160 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.771 12.369 7.154 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.420 13.149 9.041 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.469 11.371 8.962 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.456 12.235 10.165 1.00 0.00 H new ATOM 410 N ALA 1 32 6.149 13.436 9.064 1.00 0.00 N ATOM 411 CA ALA 1 32 7.064 14.533 9.334 1.00 0.00 C ATOM 412 C ALA 1 32 8.284 14.452 8.421 1.00 0.00 C ATOM 413 O ALA 1 32 9.182 15.291 8.494 1.00 0.00 O ATOM 414 CB ALA 1 32 7.499 14.506 10.791 1.00 0.00 C ATOM 0 H ALA 1 32 6.443 12.541 9.455 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.546 15.471 9.136 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.184 15.332 10.982 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.624 14.604 11.434 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.001 13.562 11.003 1.00 0.00 H new ATOM 420 N THR 1 33 8.322 13.422 7.576 1.00 0.00 N ATOM 421 CA THR 1 33 9.444 13.219 6.670 1.00 0.00 C ATOM 422 C THR 1 33 8.995 13.113 5.215 1.00 0.00 C ATOM 423 O THR 1 33 9.819 12.948 4.315 1.00 0.00 O ATOM 424 CB THR 1 33 10.219 11.972 7.088 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.700 11.445 8.296 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.679 12.231 7.316 1.00 0.00 C ATOM 0 H THR 1 33 7.588 12.718 7.503 1.00 0.00 H new ATOM 0 HA THR 1 33 10.094 14.091 6.737 1.00 0.00 H new ATOM 0 HB THR 1 33 10.107 11.272 6.260 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.434 11.290 8.927 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.171 11.304 7.610 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.130 12.605 6.397 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.798 12.972 8.106 1.00 0.00 H new ATOM 434 N CYS 1 34 7.694 13.232 4.985 1.00 0.00 N ATOM 435 CA CYS 1 34 7.150 13.173 3.635 1.00 0.00 C ATOM 436 C CYS 1 34 7.585 11.903 2.900 1.00 0.00 C ATOM 437 O CYS 1 34 8.095 11.963 1.782 1.00 0.00 O ATOM 438 CB CYS 1 34 7.565 14.432 2.860 1.00 0.00 C ATOM 439 SG CYS 1 34 7.188 14.413 1.074 1.00 0.00 S ATOM 0 H CYS 1 34 6.996 13.370 5.716 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.063 13.137 3.703 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.071 15.294 3.309 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.638 14.578 2.986 1.00 0.00 H new ATOM 444 N LYS 1 35 7.382 10.748 3.528 1.00 0.00 N ATOM 445 CA LYS 1 35 7.752 9.486 2.899 1.00 0.00 C ATOM 446 C LYS 1 35 7.321 8.289 3.731 1.00 0.00 C ATOM 447 O LYS 1 35 6.738 8.433 4.801 1.00 0.00 O ATOM 448 CB LYS 1 35 9.259 9.427 2.672 1.00 0.00 C ATOM 449 CG LYS 1 35 9.664 9.632 1.222 1.00 0.00 C ATOM 450 CD LYS 1 35 10.060 8.320 0.563 1.00 0.00 C ATOM 451 CE LYS 1 35 11.571 8.160 0.504 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.989 6.750 0.733 1.00 0.00 N ATOM 0 H LYS 1 35 6.970 10.660 4.457 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.232 9.440 1.942 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.741 10.188 3.286 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.632 8.461 3.011 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.837 10.081 0.672 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 10.498 10.332 1.172 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.626 7.488 1.117 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.649 8.280 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.934 8.493 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 12.034 8.802 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 13.026 6.683 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.665 6.440 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.568 6.140 0.003 1.00 0.00 H new ATOM 466 N LEU 1 36 7.632 7.104 3.228 1.00 0.00 N ATOM 467 CA LEU 1 36 7.310 5.870 3.931 1.00 0.00 C ATOM 468 C LEU 1 36 8.404 5.574 4.952 1.00 0.00 C ATOM 469 O LEU 1 36 9.494 6.140 4.877 1.00 0.00 O ATOM 470 CB LEU 1 36 7.168 4.705 2.948 1.00 0.00 C ATOM 471 CG LEU 1 36 8.383 4.459 2.052 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.605 2.967 1.852 1.00 0.00 C ATOM 473 CD2 LEU 1 36 8.204 5.159 0.713 1.00 0.00 C ATOM 0 H LEU 1 36 8.107 6.970 2.335 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.356 5.991 4.445 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.963 3.796 3.514 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.300 4.888 2.314 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.264 4.873 2.542 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 9.473 2.811 1.212 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.776 2.492 2.818 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.725 2.528 1.382 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 9.077 4.975 0.087 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.313 4.773 0.217 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 8.094 6.231 0.875 1.00 0.00 H new ATOM 485 N THR 1 37 8.116 4.706 5.914 1.00 0.00 N ATOM 486 CA THR 1 37 9.096 4.379 6.944 1.00 0.00 C ATOM 487 C THR 1 37 10.143 3.392 6.442 1.00 0.00 C ATOM 488 O THR 1 37 9.864 2.546 5.593 1.00 0.00 O ATOM 489 CB THR 1 37 8.409 3.812 8.181 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.417 2.868 7.820 1.00 0.00 O ATOM 491 CG2 THR 1 37 7.757 4.878 9.031 1.00 0.00 C ATOM 0 H THR 1 37 7.223 4.221 6.003 1.00 0.00 H new ATOM 0 HA THR 1 37 9.604 5.307 7.205 1.00 0.00 H new ATOM 0 HB THR 1 37 9.198 3.337 8.764 1.00 0.00 H new ATOM 0 HG1 THR 1 37 6.845 3.246 7.120 1.00 0.00 H new ATOM 0 HG21 THR 1 37 7.284 4.414 9.897 1.00 0.00 H new ATOM 0 HG22 THR 1 37 8.513 5.588 9.367 1.00 0.00 H new ATOM 0 HG23 THR 1 37 7.003 5.401 8.443 1.00 0.00 H new ATOM 499 N PRO 1 38 11.372 3.492 6.979 1.00 0.00 N ATOM 500 CA PRO 1 38 12.482 2.609 6.604 1.00 0.00 C ATOM 501 C PRO 1 38 12.090 1.136 6.627 1.00 0.00 C ATOM 502 O PRO 1 38 11.354 0.693 7.510 1.00 0.00 O ATOM 503 CB PRO 1 38 13.524 2.896 7.684 1.00 0.00 C ATOM 504 CG PRO 1 38 13.266 4.304 8.082 1.00 0.00 C ATOM 505 CD PRO 1 38 11.776 4.478 8.003 1.00 0.00 C ATOM 0 HA PRO 1 38 12.827 2.793 5.587 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.416 2.218 8.530 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.537 2.770 7.302 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 13.631 4.500 9.090 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 13.778 5.000 7.417 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.297 4.281 8.962 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 11.504 5.493 7.713 1.00 0.00 H new ATOM 513 N GLY 1 39 12.588 0.380 5.654 1.00 0.00 N ATOM 514 CA GLY 1 39 12.281 -1.037 5.586 1.00 0.00 C ATOM 515 C GLY 1 39 11.080 -1.334 4.709 1.00 0.00 C ATOM 516 O GLY 1 39 11.030 -2.369 4.045 1.00 0.00 O ATOM 0 H GLY 1 39 13.198 0.723 4.912 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 13.148 -1.574 5.202 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 12.093 -1.413 6.592 1.00 0.00 H new ATOM 520 N SER 1 40 10.109 -0.426 4.707 1.00 0.00 N ATOM 521 CA SER 1 40 8.903 -0.600 3.907 1.00 0.00 C ATOM 522 C SER 1 40 9.247 -0.764 2.430 1.00 0.00 C ATOM 523 O SER 1 40 10.111 -0.064 1.902 1.00 0.00 O ATOM 524 CB SER 1 40 7.963 0.593 4.096 1.00 0.00 C ATOM 525 OG SER 1 40 6.973 0.628 3.082 1.00 0.00 O ATOM 0 H SER 1 40 10.134 0.437 5.250 1.00 0.00 H new ATOM 0 HA SER 1 40 8.401 -1.506 4.246 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.485 0.532 5.074 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.538 1.519 4.080 1.00 0.00 H new ATOM 0 HG SER 1 40 6.384 1.398 3.226 1.00 0.00 H new ATOM 531 N GLN 1 41 8.565 -1.693 1.769 1.00 0.00 N ATOM 532 CA GLN 1 41 8.800 -1.949 0.352 1.00 0.00 C ATOM 533 C GLN 1 41 7.957 -1.022 -0.516 1.00 0.00 C ATOM 534 O GLN 1 41 8.364 -0.641 -1.614 1.00 0.00 O ATOM 535 CB GLN 1 41 8.482 -3.408 0.015 1.00 0.00 C ATOM 536 CG GLN 1 41 9.039 -4.401 1.022 1.00 0.00 C ATOM 537 CD GLN 1 41 9.508 -5.688 0.373 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.083 -6.779 0.754 1.00 0.00 O ATOM 539 NE2 GLN 1 41 10.389 -5.568 -0.613 1.00 0.00 N ATOM 0 H GLN 1 41 7.846 -2.281 2.191 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.852 -1.756 0.145 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.401 -3.531 -0.044 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 8.883 -3.640 -0.971 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.872 -3.943 1.556 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.273 -4.630 1.763 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 10.714 -4.644 -0.897 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.740 -6.400 -1.087 1.00 0.00 H new ATOM 548 N CYS 1 42 6.781 -0.664 -0.016 1.00 0.00 N ATOM 549 CA CYS 1 42 5.876 0.217 -0.742 1.00 0.00 C ATOM 550 C CYS 1 42 5.071 1.074 0.223 1.00 0.00 C ATOM 551 O CYS 1 42 4.797 0.667 1.352 1.00 0.00 O ATOM 552 CB CYS 1 42 4.931 -0.601 -1.619 1.00 0.00 C ATOM 553 SG CYS 1 42 3.936 -1.817 -0.698 1.00 0.00 S ATOM 0 H CYS 1 42 6.431 -0.971 0.892 1.00 0.00 H new ATOM 0 HA CYS 1 42 6.474 0.872 -1.376 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.261 0.078 -2.146 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 5.515 -1.123 -2.377 1.00 0.00 H new ATOM 558 N ASN 1 43 4.692 2.261 -0.229 1.00 0.00 N ATOM 559 CA ASN 1 43 3.914 3.172 0.595 1.00 0.00 C ATOM 560 C ASN 1 43 2.444 2.774 0.594 1.00 0.00 C ATOM 561 O ASN 1 43 1.736 2.966 1.582 1.00 0.00 O ATOM 562 CB ASN 1 43 4.069 4.609 0.096 1.00 0.00 C ATOM 563 CG ASN 1 43 3.832 4.732 -1.397 1.00 0.00 C ATOM 564 OD1 ASN 1 43 2.786 4.332 -1.907 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.808 5.289 -2.106 1.00 0.00 N ATOM 0 H ASN 1 43 4.911 2.614 -1.160 1.00 0.00 H new ATOM 0 HA ASN 1 43 4.290 3.113 1.616 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 3.367 5.253 0.627 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 5.071 4.967 0.333 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 4.707 5.399 -3.115 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.659 5.607 -1.641 1.00 0.00 H new ATOM 572 N TYR 1 44 1.995 2.211 -0.522 1.00 0.00 N ATOM 573 CA TYR 1 44 0.610 1.776 -0.660 1.00 0.00 C ATOM 574 C TYR 1 44 0.375 1.155 -2.032 1.00 0.00 C ATOM 575 O TYR 1 44 1.236 1.220 -2.909 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.351 2.951 -0.443 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.304 3.991 -1.540 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -0.827 3.723 -2.799 1.00 0.00 C ATOM 579 CD2 TYR 1 44 0.263 5.240 -1.317 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -0.786 4.667 -3.805 1.00 0.00 C ATOM 581 CE2 TYR 1 44 0.308 6.191 -2.317 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.218 5.901 -3.560 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.175 6.845 -4.559 1.00 0.00 O ATOM 0 H TYR 1 44 2.572 2.045 -1.347 1.00 0.00 H new ATOM 0 HA TYR 1 44 0.416 1.021 0.102 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.368 2.566 -0.364 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.116 3.429 0.508 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.273 2.759 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.675 5.471 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.196 4.441 -4.778 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.752 7.157 -2.128 1.00 0.00 H new ATOM 0 HH TYR 1 44 0.256 7.658 -4.222 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.796 0.555 -2.213 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.120 -0.065 -3.483 1.00 0.00 C ATOM 595 C GLY 1 45 -1.876 -1.368 -3.318 1.00 0.00 C ATOM 596 O GLY 1 45 -2.139 -1.805 -2.198 1.00 0.00 O ATOM 0 H GLY 1 45 -1.526 0.487 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.718 0.625 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.200 -0.250 -4.038 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.226 -1.988 -4.439 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.958 -3.250 -4.422 1.00 0.00 C ATOM 602 C GLU 1 46 -2.195 -4.316 -3.642 1.00 0.00 C ATOM 603 O GLU 1 46 -2.776 -5.062 -2.854 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.200 -3.735 -5.851 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.448 -3.147 -6.491 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.128 -2.082 -7.521 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.034 -1.485 -7.438 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.972 -1.844 -8.411 1.00 0.00 O ATOM 0 H GLU 1 46 -2.014 -1.637 -5.373 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.915 -3.079 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.334 -3.482 -6.463 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.281 -4.822 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.020 -3.945 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.082 -2.718 -5.715 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.891 -4.384 -3.878 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.036 -5.360 -3.213 1.00 0.00 C ATOM 617 C CYS 1 47 0.510 -4.825 -1.891 1.00 0.00 C ATOM 618 O CYS 1 47 1.116 -5.566 -1.120 1.00 0.00 O ATOM 619 CB CYS 1 47 1.130 -5.728 -4.128 1.00 0.00 C ATOM 620 SG CYS 1 47 0.813 -7.161 -5.198 1.00 0.00 S ATOM 0 H CYS 1 47 -0.400 -3.771 -4.529 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.641 -6.241 -2.999 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.372 -4.868 -4.753 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 2.008 -5.933 -3.515 1.00 0.00 H new ATOM 625 N CYS 1 48 0.315 -3.536 -1.640 1.00 0.00 N ATOM 626 CA CYS 1 48 0.815 -2.922 -0.419 1.00 0.00 C ATOM 627 C CYS 1 48 -0.072 -3.234 0.780 1.00 0.00 C ATOM 628 O CYS 1 48 -1.297 -3.295 0.669 1.00 0.00 O ATOM 629 CB CYS 1 48 0.936 -1.411 -0.599 1.00 0.00 C ATOM 630 SG CYS 1 48 2.451 -0.702 0.121 1.00 0.00 S ATOM 0 H CYS 1 48 -0.183 -2.900 -2.263 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.800 -3.345 -0.221 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.908 -1.178 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 0.070 -0.930 -0.145 1.00 0.00 H new ATOM 635 N ASP 1 49 0.568 -3.421 1.928 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.131 -3.718 3.170 1.00 0.00 C ATOM 637 C ASP 1 49 0.684 -3.217 4.356 1.00 0.00 C ATOM 638 O ASP 1 49 1.688 -3.824 4.731 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.379 -5.222 3.299 1.00 0.00 C ATOM 640 CG ASP 1 49 -1.728 -5.535 3.915 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.280 -4.658 4.612 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -2.234 -6.657 3.699 1.00 0.00 O ATOM 0 H ASP 1 49 1.582 -3.371 2.023 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.095 -3.209 3.159 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.317 -5.683 2.313 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.408 -5.666 3.909 1.00 0.00 H new ATOM 647 N GLN 1 50 0.258 -2.097 4.932 1.00 0.00 N ATOM 648 CA GLN 1 50 0.962 -1.503 6.066 1.00 0.00 C ATOM 649 C GLN 1 50 2.291 -0.908 5.610 1.00 0.00 C ATOM 650 O GLN 1 50 2.483 0.307 5.645 1.00 0.00 O ATOM 651 CB GLN 1 50 1.201 -2.547 7.161 1.00 0.00 C ATOM 652 CG GLN 1 50 1.093 -1.986 8.569 1.00 0.00 C ATOM 653 CD GLN 1 50 0.413 -2.944 9.528 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -0.405 -3.770 9.122 1.00 0.00 O ATOM 655 NE2 GLN 1 50 0.750 -2.838 10.808 1.00 0.00 N ATOM 0 H GLN 1 50 -0.570 -1.582 4.633 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.341 -0.707 6.477 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.479 -3.356 7.044 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.191 -2.982 7.027 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 2.091 -1.753 8.941 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 0.536 -1.049 8.541 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 1.433 -2.139 11.099 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 0.326 -3.456 11.500 1.00 0.00 H new ATOM 664 N CYS 1 51 3.201 -1.774 5.175 1.00 0.00 N ATOM 665 CA CYS 1 51 4.511 -1.338 4.701 1.00 0.00 C ATOM 666 C CYS 1 51 5.265 -2.493 4.042 1.00 0.00 C ATOM 667 O CYS 1 51 6.495 -2.541 4.070 1.00 0.00 O ATOM 668 CB CYS 1 51 5.345 -0.749 5.848 1.00 0.00 C ATOM 669 SG CYS 1 51 4.808 -1.242 7.521 1.00 0.00 S ATOM 0 H CYS 1 51 3.056 -2.783 5.141 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.350 -0.558 3.956 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 6.384 -1.048 5.713 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.315 0.338 5.778 1.00 0.00 H new ATOM 674 N ARG 1 52 4.521 -3.419 3.444 1.00 0.00 N ATOM 675 CA ARG 1 52 5.122 -4.569 2.775 1.00 0.00 C ATOM 676 C ARG 1 52 4.212 -5.086 1.665 1.00 0.00 C ATOM 677 O ARG 1 52 3.020 -4.780 1.635 1.00 0.00 O ATOM 678 CB ARG 1 52 5.401 -5.685 3.785 1.00 0.00 C ATOM 679 CG ARG 1 52 6.814 -5.658 4.345 1.00 0.00 C ATOM 680 CD ARG 1 52 7.726 -6.621 3.601 1.00 0.00 C ATOM 681 NE ARG 1 52 9.118 -6.497 4.027 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.578 -6.942 5.194 1.00 0.00 C ATOM 683 NH1 ARG 1 52 8.762 -7.541 6.053 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.859 -6.789 5.503 1.00 0.00 N ATOM 0 H ARG 1 52 3.502 -3.396 3.409 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.064 -4.249 2.330 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.691 -5.605 4.608 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.227 -6.649 3.307 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 7.215 -4.647 4.275 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.792 -5.919 5.403 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.386 -7.643 3.767 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.657 -6.432 2.530 1.00 0.00 H new ATOM 0 HE ARG 1 52 9.776 -6.043 3.393 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.776 -7.662 5.820 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 9.121 -7.880 6.946 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.491 -6.331 4.846 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.212 -7.130 6.397 1.00 0.00 H new ATOM 698 N PHE 1 53 4.778 -5.871 0.753 1.00 0.00 N ATOM 699 CA PHE 1 53 4.008 -6.425 -0.356 1.00 0.00 C ATOM 700 C PHE 1 53 3.229 -7.654 0.079 1.00 0.00 C ATOM 701 O PHE 1 53 3.675 -8.416 0.937 1.00 0.00 O ATOM 702 CB PHE 1 53 4.923 -6.787 -1.530 1.00 0.00 C ATOM 703 CG PHE 1 53 5.421 -5.594 -2.290 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.599 -4.501 -2.502 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.712 -5.564 -2.792 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.051 -3.402 -3.197 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.172 -4.464 -3.491 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.339 -3.381 -3.694 1.00 0.00 C ATOM 0 H PHE 1 53 5.763 -6.137 0.760 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.303 -5.658 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.777 -7.351 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.383 -7.443 -2.212 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.590 -4.510 -2.117 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.366 -6.409 -2.635 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.398 -2.556 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.180 -4.451 -3.878 1.00 0.00 H new ATOM 0 HZ PHE 1 53 6.694 -2.520 -4.240 1.00 0.00 H new ATOM 718 N LYS 1 54 2.066 -7.847 -0.529 1.00 0.00 N ATOM 719 CA LYS 1 54 1.229 -8.994 -0.212 1.00 0.00 C ATOM 720 C LYS 1 54 1.858 -10.270 -0.757 1.00 0.00 C ATOM 721 O LYS 1 54 1.887 -10.486 -1.966 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.174 -8.807 -0.792 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.178 -8.258 0.209 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.142 -7.283 -0.445 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.743 -6.327 0.573 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.104 -5.019 -0.039 1.00 0.00 N ATOM 0 H LYS 1 54 1.683 -7.226 -1.242 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.148 -9.077 0.872 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.118 -8.132 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.534 -9.765 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.737 -9.081 0.653 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.648 -7.758 1.020 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -1.620 -6.715 -1.215 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -2.939 -7.836 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.631 -6.779 1.015 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -2.032 -6.165 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -2.574 -4.258 0.431 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -2.866 -5.032 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.124 -4.852 0.075 1.00 0.00 H new ATOM 740 N LYS 1 55 2.372 -11.107 0.142 1.00 0.00 N ATOM 741 CA LYS 1 55 3.014 -12.364 -0.245 1.00 0.00 C ATOM 742 C LYS 1 55 2.351 -12.973 -1.477 1.00 0.00 C ATOM 743 O LYS 1 55 1.130 -13.154 -1.512 1.00 0.00 O ATOM 744 CB LYS 1 55 2.969 -13.360 0.915 1.00 0.00 C ATOM 745 CG LYS 1 55 3.704 -14.660 0.630 1.00 0.00 C ATOM 746 CD LYS 1 55 4.362 -15.214 1.883 1.00 0.00 C ATOM 747 CE LYS 1 55 4.794 -16.659 1.692 1.00 0.00 C ATOM 748 NZ LYS 1 55 3.788 -17.616 2.233 1.00 0.00 N ATOM 0 H LYS 1 55 2.357 -10.937 1.148 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.052 -12.144 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.402 -12.894 1.800 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.929 -13.585 1.150 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.005 -15.394 0.230 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.461 -14.491 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.229 -14.605 2.140 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 3.667 -15.148 2.720 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 4.947 -16.855 0.631 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.751 -16.820 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 4.120 -18.590 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 3.660 -17.447 3.251 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 2.881 -17.480 1.743 1.00 0.00 H new ATOM 762 N ALA 1 56 3.162 -13.275 -2.491 1.00 0.00 N ATOM 763 CA ALA 1 56 2.652 -13.854 -3.727 1.00 0.00 C ATOM 764 C ALA 1 56 1.570 -14.877 -3.435 1.00 0.00 C ATOM 765 O ALA 1 56 1.731 -15.739 -2.571 1.00 0.00 O ATOM 766 CB ALA 1 56 3.765 -14.497 -4.531 1.00 0.00 C ATOM 0 H ALA 1 56 4.171 -13.128 -2.478 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.223 -13.044 -4.317 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.354 -14.920 -5.448 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.513 -13.745 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.229 -15.288 -3.942 1.00 0.00 H new ATOM 772 N GLY 1 57 0.462 -14.758 -4.138 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.645 -15.664 -3.916 1.00 0.00 C ATOM 774 C GLY 1 57 -1.846 -14.938 -3.354 1.00 0.00 C ATOM 775 O GLY 1 57 -2.953 -15.476 -3.331 1.00 0.00 O ATOM 0 H GLY 1 57 0.305 -14.053 -4.858 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.916 -16.147 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.340 -16.453 -3.228 1.00 0.00 H new ATOM 779 N THR 1 58 -1.629 -13.699 -2.914 1.00 0.00 N ATOM 780 CA THR 1 58 -2.704 -12.884 -2.374 1.00 0.00 C ATOM 781 C THR 1 58 -3.535 -12.304 -3.513 1.00 0.00 C ATOM 782 O THR 1 58 -3.030 -11.530 -4.326 1.00 0.00 O ATOM 783 CB THR 1 58 -2.139 -11.749 -1.521 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.374 -12.260 -0.444 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.215 -10.862 -0.943 1.00 0.00 C ATOM 0 H THR 1 58 -0.717 -13.242 -2.923 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.336 -13.513 -1.747 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.517 -11.157 -2.192 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.503 -12.562 -0.776 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.755 -10.074 -0.347 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.792 -10.415 -1.753 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.876 -11.456 -0.312 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.804 -12.686 -3.579 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.680 -12.200 -4.635 1.00 0.00 C ATOM 795 C VAL 1 59 -6.112 -10.759 -4.383 1.00 0.00 C ATOM 796 O VAL 1 59 -6.788 -10.468 -3.397 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.939 -13.080 -4.783 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.743 -13.087 -3.491 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.794 -12.602 -5.948 1.00 0.00 C ATOM 0 H VAL 1 59 -5.246 -13.326 -2.919 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.102 -12.247 -5.558 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.621 -14.101 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.627 -13.713 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.129 -13.483 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.050 -12.070 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.677 -13.235 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.103 -11.571 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.216 -12.656 -6.870 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.724 -9.861 -5.284 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.084 -8.451 -5.152 1.00 0.00 C ATOM 811 C CYS 1 60 -7.236 -8.081 -6.087 1.00 0.00 C ATOM 812 O CYS 1 60 -7.971 -7.127 -5.832 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.885 -7.554 -5.454 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.344 -8.058 -4.628 1.00 0.00 S ATOM 0 H CYS 1 60 -5.164 -10.081 -6.108 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.402 -8.295 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.718 -7.541 -6.531 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.126 -6.533 -5.156 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.377 -8.830 -7.176 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.428 -8.569 -8.159 1.00 0.00 C ATOM 821 C ARG 1 61 -8.964 -9.872 -8.751 1.00 0.00 C ATOM 822 O ARG 1 61 -8.537 -10.964 -8.373 1.00 0.00 O ATOM 823 CB ARG 1 61 -7.886 -7.671 -9.282 1.00 0.00 C ATOM 824 CG ARG 1 61 -8.924 -6.728 -9.878 1.00 0.00 C ATOM 825 CD ARG 1 61 -8.280 -5.504 -10.519 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.179 -5.856 -11.416 1.00 0.00 N ATOM 827 CZ ARG 1 61 -5.893 -5.631 -11.149 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.528 -5.049 -10.013 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -4.965 -5.996 -12.024 1.00 0.00 N ATOM 0 H ARG 1 61 -6.777 -9.624 -7.402 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.248 -8.061 -7.651 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.056 -7.082 -8.893 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -7.485 -8.301 -10.076 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -9.512 -7.261 -10.625 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -9.614 -6.408 -9.097 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.035 -4.950 -11.076 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -7.910 -4.841 -9.737 1.00 0.00 H new ATOM 0 HE ARG 1 61 -7.411 -6.303 -12.303 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -6.235 -4.769 -9.333 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -4.540 -4.882 -9.820 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.237 -6.447 -12.897 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -3.980 -5.825 -11.823 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.897 -9.744 -9.686 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.493 -10.892 -10.351 1.00 0.00 C ATOM 845 C ILE 1 62 -11.546 -10.432 -11.343 1.00 0.00 C ATOM 846 O ILE 1 62 -12.351 -9.549 -11.046 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.131 -11.878 -9.354 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.746 -13.070 -10.093 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.183 -11.176 -8.513 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.735 -13.898 -10.855 1.00 0.00 C ATOM 0 H ILE 1 62 -10.260 -8.845 -10.003 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.689 -11.413 -10.871 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.349 -12.250 -8.692 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.257 -13.709 -9.373 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.502 -12.705 -10.788 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.624 -11.887 -7.814 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.720 -10.360 -7.958 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.961 -10.776 -9.163 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.243 -14.724 -11.353 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.241 -13.274 -11.600 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.992 -14.293 -10.162 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.530 -11.027 -12.521 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.482 -10.666 -13.558 1.00 0.00 C ATOM 864 C ALA 1 63 -13.909 -11.042 -13.142 1.00 0.00 C ATOM 865 O ALA 1 63 -14.554 -10.298 -12.404 1.00 0.00 O ATOM 866 CB ALA 1 63 -12.082 -11.288 -14.892 1.00 0.00 C ATOM 0 H ALA 1 63 -10.871 -11.760 -12.784 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.466 -9.584 -13.690 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.806 -11.007 -15.656 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -11.094 -10.929 -15.179 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -12.060 -12.373 -14.795 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.401 -12.193 -13.597 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.747 -12.633 -13.238 1.00 0.00 C ATOM 874 C ARG 1 64 -15.800 -14.144 -13.028 1.00 0.00 C ATOM 875 O ARG 1 64 -16.136 -14.893 -13.944 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.745 -12.224 -14.324 1.00 0.00 C ATOM 877 CG ARG 1 64 -18.100 -11.806 -13.778 1.00 0.00 C ATOM 878 CD ARG 1 64 -18.005 -10.515 -12.981 1.00 0.00 C ATOM 879 NE ARG 1 64 -19.313 -10.064 -12.511 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.937 -10.575 -11.452 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -19.377 -11.553 -10.751 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -21.124 -10.106 -11.093 1.00 0.00 N ATOM 0 H ARG 1 64 -13.893 -12.832 -14.209 1.00 0.00 H new ATOM 0 HA ARG 1 64 -16.016 -12.149 -12.299 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.325 -11.400 -14.900 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -16.882 -13.058 -15.013 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -18.801 -11.675 -14.602 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -18.498 -12.598 -13.144 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -17.345 -10.664 -12.127 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.555 -9.739 -13.600 1.00 0.00 H new ATOM 0 HE ARG 1 64 -19.775 -9.314 -13.025 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -18.464 -11.917 -11.023 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -19.860 -11.941 -9.940 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -21.558 -9.354 -11.628 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -21.603 -10.497 -10.282 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.483 -14.592 -11.820 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.514 -16.012 -11.533 1.00 0.00 C ATOM 898 C GLY 1 65 -14.198 -16.520 -10.989 1.00 0.00 C ATOM 899 O GLY 1 65 -13.864 -16.287 -9.827 1.00 0.00 O ATOM 0 H GLY 1 65 -15.206 -14.000 -11.037 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.305 -16.217 -10.812 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.763 -16.558 -12.443 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.445 -17.212 -11.835 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.151 -17.753 -11.440 1.00 0.00 C ATOM 905 C ASP 1 66 -11.496 -18.515 -12.586 1.00 0.00 C ATOM 906 O ASP 1 66 -11.724 -19.712 -12.767 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.299 -18.665 -10.220 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.161 -18.498 -9.232 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -10.118 -19.162 -9.410 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.312 -17.702 -8.281 1.00 0.00 O ATOM 0 H ASP 1 66 -13.709 -17.412 -12.800 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.508 -16.913 -11.178 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -13.244 -18.450 -9.721 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.342 -19.703 -10.549 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.677 -17.806 -13.351 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.968 -18.392 -14.484 1.00 0.00 C ATOM 917 C TRP 1 67 -8.467 -18.249 -14.292 1.00 0.00 C ATOM 918 O TRP 1 67 -7.749 -19.224 -14.075 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.383 -17.701 -15.789 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.282 -16.517 -15.586 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.970 -15.327 -14.985 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.649 -16.415 -15.984 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.062 -14.502 -14.982 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.105 -15.144 -15.596 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.530 -17.279 -16.634 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.404 -14.717 -15.836 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.823 -16.854 -16.874 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.249 -15.581 -16.477 1.00 0.00 C ATOM 0 H TRP 1 67 -10.485 -16.815 -13.206 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.226 -19.449 -14.542 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.487 -17.379 -16.320 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.889 -18.425 -16.428 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -10.004 -15.076 -14.573 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -12.094 -13.562 -14.587 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.208 -18.262 -16.944 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.736 -13.737 -15.527 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.515 -17.514 -17.375 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.265 -15.275 -16.681 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.017 -17.008 -14.371 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.612 -16.672 -14.205 1.00 0.00 C ATOM 941 C ASN 1 68 -6.396 -16.040 -12.845 1.00 0.00 C ATOM 942 O ASN 1 68 -5.380 -16.269 -12.189 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.168 -15.693 -15.289 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.890 -15.909 -16.608 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.144 -15.469 -16.677 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.327 -16.463 -17.552 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.617 -16.203 -14.552 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.023 -17.586 -14.286 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.344 -14.674 -14.946 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.094 -15.795 -15.447 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.364 -16.784 -17.454 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.823 -16.601 -18.432 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.373 -15.241 -12.431 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.319 -14.563 -11.147 1.00 0.00 C ATOM 955 C ASP 1 69 -6.256 -13.486 -11.129 1.00 0.00 C ATOM 956 O ASP 1 69 -5.409 -13.405 -12.020 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.015 -15.556 -10.037 1.00 0.00 C ATOM 958 CG ASP 1 69 -7.894 -16.789 -10.096 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -7.562 -17.719 -10.860 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.915 -16.825 -9.378 1.00 0.00 O ATOM 0 H ASP 1 69 -8.216 -15.048 -12.972 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.294 -14.103 -10.987 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -5.969 -15.857 -10.101 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.147 -15.067 -9.072 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.290 -12.686 -10.078 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.319 -11.632 -9.887 1.00 0.00 C ATOM 967 C ASP 1 70 -4.578 -11.883 -8.595 1.00 0.00 C ATOM 968 O ASP 1 70 -5.185 -11.927 -7.528 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.996 -10.267 -9.858 1.00 0.00 C ATOM 970 CG ASP 1 70 -4.990 -9.137 -9.794 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.859 -9.378 -9.324 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.330 -8.014 -10.212 1.00 0.00 O ATOM 0 H ASP 1 70 -6.989 -12.751 -9.338 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.617 -11.633 -10.721 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.616 -10.151 -10.747 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.661 -10.210 -8.996 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.276 -12.097 -8.691 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.492 -12.401 -7.511 1.00 0.00 C ATOM 979 C TYR 1 71 -1.213 -11.597 -7.411 1.00 0.00 C ATOM 980 O TYR 1 71 -0.546 -11.323 -8.408 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.150 -13.878 -7.510 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.316 -14.745 -7.144 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.730 -14.822 -5.831 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -3.998 -15.480 -8.101 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.793 -15.609 -5.464 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.068 -16.275 -7.751 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.465 -16.340 -6.427 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.531 -17.132 -6.067 1.00 0.00 O ATOM 0 H TYR 1 71 -2.747 -12.066 -9.563 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.102 -12.132 -6.649 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.788 -14.163 -8.498 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.336 -14.057 -6.808 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.208 -14.252 -5.077 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.687 -15.429 -9.134 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.103 -15.657 -4.430 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.593 -16.843 -8.505 1.00 0.00 H new ATOM 0 HH TYR 1 71 -6.891 -17.577 -6.862 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.870 -11.253 -6.178 1.00 0.00 N ATOM 999 CA CYS 1 72 0.342 -10.509 -5.901 1.00 0.00 C ATOM 1000 C CYS 1 72 1.564 -11.374 -6.186 1.00 0.00 C ATOM 1001 O CYS 1 72 1.455 -12.596 -6.295 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.353 -10.051 -4.446 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.532 -8.709 -4.109 1.00 0.00 S ATOM 0 H CYS 1 72 -1.421 -11.481 -5.351 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.373 -9.632 -6.548 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.649 -9.720 -4.171 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.593 -10.902 -3.809 1.00 0.00 H new ATOM 1008 N THR 1 73 2.722 -10.737 -6.310 1.00 0.00 N ATOM 1009 CA THR 1 73 3.959 -11.456 -6.588 1.00 0.00 C ATOM 1010 C THR 1 73 4.993 -11.235 -5.483 1.00 0.00 C ATOM 1011 O THR 1 73 6.150 -11.633 -5.618 1.00 0.00 O ATOM 1012 CB THR 1 73 4.524 -11.017 -7.939 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.205 -9.781 -7.821 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.457 -10.856 -9.002 1.00 0.00 C ATOM 0 H THR 1 73 2.830 -9.727 -6.223 1.00 0.00 H new ATOM 0 HA THR 1 73 3.732 -12.522 -6.622 1.00 0.00 H new ATOM 0 HB THR 1 73 5.205 -11.812 -8.244 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.560 -9.519 -8.696 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.920 -10.543 -9.938 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.945 -11.807 -9.151 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.737 -10.102 -8.684 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.568 -10.608 -4.388 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.467 -10.355 -3.275 1.00 0.00 C ATOM 1024 C GLY 1 74 6.737 -9.638 -3.690 1.00 0.00 C ATOM 1025 O GLY 1 74 7.763 -9.744 -3.017 1.00 0.00 O ATOM 0 H GLY 1 74 3.615 -10.270 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.948 -9.758 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.729 -11.302 -2.804 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.674 -8.907 -4.798 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.836 -8.175 -5.290 1.00 0.00 C ATOM 1031 C LYS 1 75 7.426 -6.887 -5.999 1.00 0.00 C ATOM 1032 O LYS 1 75 8.210 -6.310 -6.753 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.650 -9.054 -6.239 1.00 0.00 C ATOM 1034 CG LYS 1 75 9.131 -10.347 -5.602 1.00 0.00 C ATOM 1035 CD LYS 1 75 10.217 -11.010 -6.435 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.981 -12.506 -6.574 1.00 0.00 C ATOM 1037 NZ LYS 1 75 9.497 -13.115 -5.304 1.00 0.00 N ATOM 0 H LYS 1 75 5.835 -8.806 -5.370 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.449 -7.907 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 8.043 -9.292 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.512 -8.490 -6.594 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.513 -10.141 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.291 -11.032 -5.487 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.248 -10.553 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 11.189 -10.836 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 9.251 -12.686 -7.363 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 10.907 -12.992 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 9.759 -14.121 -5.280 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 9.931 -12.625 -4.496 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 8.462 -13.025 -5.248 1.00 0.00 H new ATOM 1051 N SER 1 76 6.199 -6.434 -5.755 1.00 0.00 N ATOM 1052 CA SER 1 76 5.706 -5.211 -6.377 1.00 0.00 C ATOM 1053 C SER 1 76 4.385 -4.771 -5.755 1.00 0.00 C ATOM 1054 O SER 1 76 3.676 -5.571 -5.144 1.00 0.00 O ATOM 1055 CB SER 1 76 5.530 -5.416 -7.882 1.00 0.00 C ATOM 1056 OG SER 1 76 5.728 -4.204 -8.589 1.00 0.00 O ATOM 0 H SER 1 76 5.532 -6.893 -5.135 1.00 0.00 H new ATOM 0 HA SER 1 76 6.443 -4.427 -6.205 1.00 0.00 H new ATOM 0 HB2 SER 1 76 6.238 -6.166 -8.235 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.530 -5.800 -8.085 1.00 0.00 H new ATOM 0 HG SER 1 76 5.612 -4.363 -9.549 1.00 0.00 H new ATOM 1062 N SER 1 77 4.058 -3.493 -5.923 1.00 0.00 N ATOM 1063 CA SER 1 77 2.818 -2.938 -5.387 1.00 0.00 C ATOM 1064 C SER 1 77 1.661 -3.131 -6.366 1.00 0.00 C ATOM 1065 O SER 1 77 0.582 -2.568 -6.181 1.00 0.00 O ATOM 1066 CB SER 1 77 2.995 -1.449 -5.076 1.00 0.00 C ATOM 1067 OG SER 1 77 2.717 -0.650 -6.214 1.00 0.00 O ATOM 0 H SER 1 77 4.636 -2.820 -6.427 1.00 0.00 H new ATOM 0 HA SER 1 77 2.581 -3.471 -4.466 1.00 0.00 H new ATOM 0 HB2 SER 1 77 2.333 -1.165 -4.258 1.00 0.00 H new ATOM 0 HB3 SER 1 77 4.015 -1.264 -4.739 1.00 0.00 H new ATOM 0 HG SER 1 77 2.836 0.296 -5.987 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.889 -3.930 -7.406 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.863 -4.193 -8.405 1.00 0.00 C ATOM 1075 C ASP 1 78 0.460 -5.663 -8.395 1.00 0.00 C ATOM 1076 O ASP 1 78 1.306 -6.551 -8.284 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.362 -3.798 -9.796 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.683 -2.320 -9.898 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.742 -1.905 -9.381 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 0.875 -1.577 -10.494 1.00 0.00 O ATOM 0 H ASP 1 78 2.775 -4.405 -7.576 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.013 -3.593 -8.158 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.253 -4.378 -10.037 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.605 -4.054 -10.537 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.838 -5.909 -8.510 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.368 -7.266 -8.513 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.903 -7.631 -9.900 1.00 0.00 C ATOM 1088 O CYS 1 79 -2.990 -7.198 -10.284 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.481 -7.388 -7.470 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.135 -8.607 -6.161 1.00 0.00 S ATOM 0 H CYS 1 79 -1.547 -5.182 -8.603 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.564 -7.958 -8.262 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.644 -6.413 -7.011 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.408 -7.663 -7.973 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.147 -8.431 -10.676 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.561 -8.840 -12.026 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.790 -9.747 -12.011 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.825 -10.744 -11.291 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.342 -9.602 -12.557 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.381 -10.062 -11.339 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.165 -8.993 -10.307 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.848 -7.985 -12.638 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.643 -10.444 -13.180 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.288 -8.960 -13.172 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.004 -11.022 -10.995 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.443 -10.200 -11.543 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.158 -9.403 -9.297 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.950 -8.238 -10.339 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.796 -9.389 -12.809 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.036 -10.167 -12.888 1.00 0.00 C ATOM 1111 C TRP 1 81 -5.031 -11.161 -14.042 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.841 -12.086 -14.085 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.249 -9.247 -13.002 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.231 -8.311 -14.177 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.210 -8.064 -15.053 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.315 -7.488 -14.590 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.602 -7.122 -15.975 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -6.895 -6.756 -15.710 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.603 -7.305 -14.108 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -7.727 -5.846 -16.355 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.435 -6.406 -14.746 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -8.993 -5.684 -15.860 1.00 0.00 C ATOM 0 H TRP 1 81 -3.778 -8.565 -13.411 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.101 -10.739 -11.962 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -7.147 -9.862 -13.061 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.325 -8.657 -12.089 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.240 -8.538 -15.025 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.025 -6.756 -16.732 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.950 -7.857 -13.247 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.386 -5.288 -17.215 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.440 -6.258 -14.380 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -9.663 -4.986 -16.339 1.00 0.00 H new ATOM 1133 N ASN 1 82 -4.116 -10.963 -14.967 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.989 -11.834 -16.130 1.00 0.00 C ATOM 1135 C ASN 1 82 -5.282 -11.858 -16.939 1.00 0.00 C ATOM 1136 O ASN 1 82 -5.819 -12.924 -17.241 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.619 -13.253 -15.690 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.640 -13.915 -16.640 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.867 -13.964 -17.849 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.544 -14.431 -16.096 1.00 0.00 N ATOM 0 H ASN 1 82 -3.440 -10.200 -14.940 1.00 0.00 H new ATOM 0 HA ASN 1 82 -3.196 -11.439 -16.765 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.185 -13.219 -14.691 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.523 -13.858 -15.625 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.850 -14.891 -16.685 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.396 -14.368 -15.089 1.00 0.00 H new ATOM 1147 N HIS 1 83 -5.777 -10.675 -17.288 1.00 0.00 N ATOM 1148 CA HIS 1 83 -7.007 -10.561 -18.063 1.00 0.00 C ATOM 1149 C HIS 1 83 -6.862 -9.517 -19.165 1.00 0.00 C ATOM 1150 O HIS 1 83 -5.867 -8.763 -19.138 1.00 0.00 O ATOM 1151 CB HIS 1 83 -8.176 -10.195 -17.147 1.00 0.00 C ATOM 1152 CG HIS 1 83 -8.321 -11.110 -15.973 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.620 -10.666 -14.703 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -8.203 -12.456 -15.879 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -8.679 -11.697 -13.880 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -8.431 -12.795 -14.569 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -7.745 -9.463 -20.047 1.00 0.00 O ATOM 0 H HIS 1 83 -5.346 -9.783 -17.047 1.00 0.00 H new ATOM 0 HA HIS 1 83 -7.206 -11.526 -18.528 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -8.041 -9.175 -16.788 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -9.100 -10.210 -17.726 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -8.772 -9.692 -14.440 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.972 -13.136 -16.685 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.894 -11.650 -12.823 1.00 0.00 H new TER 1166 HIS 1 83